#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t7i s GLN 2 N 0.00 3.15 -0.24 0.54 0.74 -1.26 -5.10 119.66 117.49 1t7i s GLN 2 Ca 0.00 -0.82 -0.01 0.00 0.05 0.00 0.00 55.36 54.58 1t7i s GLN 2 Cb 0.00 -2.41 0.02 0.00 1.10 0.00 0.00 33.01 31.73 1t7i s GLN 2 CO 0.00 0.20 -0.07 0.42 -0.55 0.00 0.00 175.29 175.29 1t7i s ILE 3 N 0.33 2.83 0.92 -2.34 1.01 -1.26 -5.12 121.20 117.57 1t7i s ILE 3 Ca -0.16 -1.00 -0.14 0.00 0.00 0.00 0.00 60.65 59.35 1t7i s ILE 3 Cb -0.17 -2.42 0.15 0.00 0.01 0.00 0.00 42.46 40.03 1t7i s ILE 3 CO 0.08 0.23 1.21 0.42 0.00 0.00 0.00 174.94 176.88 1t7i s THR 4 N 1.33 1.97 -0.13 2.92 -4.23 -1.26 -5.01 115.64 111.22 1t7i s THR 4 Ca 0.01 0.00 0.16 0.00 -1.18 0.00 0.00 61.69 60.67 1t7i s THR 4 Cb -0.16 -2.90 0.30 0.00 1.34 0.00 0.00 72.50 71.07 1t7i s THR 4 CO -0.05 0.00 1.15 0.18 -0.54 0.00 0.00 174.62 175.36 1t7i n LEU 5 N -3.69 2.20 -0.01 4.79 4.77 -1.26 -4.56 117.00 119.24 1t7i n LEU 5 Ca 0.10 -3.08 0.03 0.00 -0.03 0.00 0.00 56.01 53.04 1t7i n LEU 5 Cb 0.60 -0.41 0.39 0.00 -2.33 0.00 0.00 43.42 41.67 1t7i n LEU 5 CO 0.52 0.83 1.13 -0.50 -1.33 0.00 0.00 177.39 178.03 1t7i h TRP 6 N 0.25 0.55 -2.24 -1.77 4.06 -2.06 -3.43 115.95 111.30 1t7i h TRP 6 Ca -0.01 0.00 -0.55 0.00 2.06 0.00 0.00 58.89 60.40 1t7i h TRP 6 Cb 1.06 -0.18 -0.13 0.00 -1.00 0.00 0.00 29.16 28.90 1t7i h TRP 6 CO 0.19 0.38 -0.59 -1.59 -3.56 0.00 0.00 178.44 173.27 1t7i s LYS 7 N -5.42 1.82 0.33 0.49 -2.85 -1.26 -5.11 119.74 107.74 1t7i s LYS 7 Ca -0.08 -2.04 -0.29 0.00 -1.00 0.00 0.00 55.97 52.55 1t7i s LYS 7 Cb 0.17 -1.13 -0.12 0.00 -2.06 0.00 0.00 37.83 34.69 1t7i s LYS 7 CO 0.74 -0.19 1.52 0.54 0.10 0.00 0.00 175.35 178.06 1t7i n ARG 8 N -0.85 2.63 -1.71 1.78 1.74 -1.26 -4.86 116.66 114.13 1t7i n ARG 8 Ca -0.05 0.93 -0.41 0.00 -0.77 0.00 0.00 57.85 57.55 1t7i n ARG 8 Cb 0.67 -2.67 -0.01 0.00 -1.02 0.00 0.00 32.46 29.43 1t7i n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1t7i n PRO 9 N 1.32 3.20 -2.93 5.56 -0.04 -1.26 -4.93 135.00 135.92 1t7i n PRO 9 Ca 0.05 -2.64 -0.40 0.00 -0.04 0.00 0.00 63.50 60.47 1t7i n PRO 9 Cb 0.37 -3.11 -0.05 0.00 -0.04 0.00 0.00 33.50 30.68 1t7i n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1t7i s LEU 10 N 1.31 4.41 0.12 1.53 1.43 -1.26 -1.08 118.68 125.13 1t7i s LEU 10 Ca 0.52 1.44 0.01 0.00 -1.03 0.00 0.00 54.13 55.08 1t7i s LEU 10 Cb 0.15 -3.28 -0.04 0.00 0.03 0.00 0.00 46.19 43.05 1t7i s LEU 10 CO -0.07 -0.07 -0.04 0.68 0.23 0.00 0.00 176.35 177.08 1t7i s VAL 11 N 0.34 0.61 -0.07 -1.59 -7.23 0.06 -4.92 120.40 107.60 1t7i s VAL 11 Ca 0.41 -1.94 -0.20 0.00 -1.81 0.00 0.00 61.98 58.44 1t7i s VAL 11 Cb -0.20 -1.82 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 1t7i s VAL 11 CO 0.23 -0.75 0.57 0.28 -0.31 0.00 0.00 175.10 175.13 1t7i s THR 12 N -3.69 5.07 0.24 5.32 -1.32 -1.26 -0.88 115.64 119.12 1t7i s THR 12 Ca 0.16 1.17 0.11 0.00 -1.21 0.00 0.00 61.69 61.92 1t7i s THR 12 Cb 0.06 -3.91 -0.05 0.00 -1.51 0.00 0.00 72.50 67.09 1t7i s THR 12 CO -0.02 0.34 -0.21 0.27 -2.21 0.00 0.00 174.62 172.78 1t7i s ILE 13 N 0.42 2.38 -0.08 5.08 -4.36 0.04 -2.36 121.20 122.31 1t7i s ILE 13 Ca 0.31 -2.22 0.01 0.00 -0.26 0.00 0.00 60.65 58.49 1t7i s ILE 13 Cb -0.17 -2.20 0.02 0.00 1.25 0.00 0.00 42.46 41.36 1t7i s ILE 13 CO 0.14 -0.28 -0.11 -0.60 0.24 0.00 0.00 174.94 174.33 1t7i s ARG 14 N -3.13 1.72 -0.27 0.37 3.52 0.19 -0.93 118.95 120.43 1t7i s ARG 14 Ca 0.25 -0.39 0.01 0.00 -0.13 0.00 0.00 55.73 55.47 1t7i s ARG 14 Cb -0.06 -1.52 0.05 0.00 -1.56 0.00 0.00 34.95 31.86 1t7i s ARG 14 CO 0.12 -0.06 -0.07 0.42 -0.81 0.00 0.00 175.30 174.90 1t7i s ILE 15 N 0.99 2.54 0.00 4.11 1.09 0.06 -1.33 121.20 128.66 1t7i s ILE 15 Ca -0.08 -1.46 0.00 0.00 -1.10 0.00 0.00 60.65 58.01 1t7i s ILE 15 Cb -0.15 -2.44 0.00 0.00 -1.06 0.00 0.00 42.46 38.81 1t7i s ILE 15 CO -0.00 -0.01 0.00 0.61 -0.10 0.00 0.00 174.94 175.43 1t7i n GLY 16 N 4.53 1.74 0.21 6.18 0.00 -1.26 -0.15 105.19 116.45 1t7i n GLY 16 Ca -0.14 -0.59 0.13 0.00 0.00 0.00 0.00 46.02 45.42 1t7i n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t7i n GLY 17 N 0.00 -0.54 3.27 -0.02 0.00 -1.26 -4.77 105.19 101.87 1t7i n GLY 17 Ca 0.00 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 1t7i n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1t7i s GLN 18 N -1.97 3.25 -0.15 1.61 1.03 0.79 -5.10 119.66 119.12 1t7i s GLN 18 Ca 0.39 -0.72 -0.04 0.00 0.04 0.00 0.00 55.36 55.02 1t7i s GLN 18 Cb 0.19 -2.70 -0.03 0.00 0.03 0.00 0.00 33.01 30.50 1t7i s GLN 18 CO 0.31 -0.03 -0.02 -0.51 -2.54 0.00 0.00 175.29 172.51 1t7i s LEU 19 N 0.94 3.38 0.10 2.60 1.43 -1.26 -0.76 118.68 125.11 1t7i s LEU 19 Ca -0.03 -0.07 -0.00 0.00 -1.03 0.00 0.00 54.13 53.00 1t7i s LEU 19 Cb -0.15 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 1t7i s LEU 19 CO -0.02 0.19 0.00 -0.54 0.23 0.00 0.00 176.35 176.22 1t7i s LYS 20 N 0.25 0.82 -0.14 1.70 -0.14 -0.10 -4.99 119.74 117.14 1t7i s LYS 20 Ca -0.01 -1.36 -0.08 0.00 -1.36 0.00 0.00 55.97 53.16 1t7i s LYS 20 Cb -0.14 0.11 -0.04 0.00 -1.68 0.00 0.00 37.83 36.08 1t7i s LYS 20 CO 0.02 -0.16 0.13 -1.21 -0.76 0.00 0.00 175.35 173.38 1t7i s GLU 21 N -3.96 3.65 0.01 1.68 0.41 -1.26 -0.78 118.70 118.45 1t7i s GLU 21 Ca 0.16 -0.17 -0.05 0.00 -0.41 0.00 0.00 54.97 54.51 1t7i s GLU 21 Cb 0.07 -3.25 -0.01 0.00 -1.78 0.00 0.00 34.13 29.17 1t7i s GLU 21 CO -0.03 0.63 0.08 0.00 -0.49 0.00 0.00 175.26 175.45 1t7i s ALA 22 N -0.60 -0.18 0.03 5.21 0.00 -0.06 -4.59 121.76 121.57 1t7i s ALA 22 Ca 0.13 -0.29 -0.30 0.00 0.00 0.00 0.00 51.96 51.50 1t7i s ALA 22 Cb -0.12 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 1t7i s ALA 22 CO 0.02 -0.19 0.96 -0.51 0.00 0.00 0.00 175.76 176.04 1t7i s LEU 23 N -1.42 4.40 -0.58 0.00 1.02 -0.19 -0.76 118.68 121.16 1t7i s LEU 23 Ca -0.15 1.68 -0.28 0.00 0.02 0.00 0.00 54.13 55.40 1t7i s LEU 23 Cb -0.08 -3.56 0.01 0.00 0.02 0.00 0.00 46.19 42.58 1t7i s LEU 23 CO 0.01 -0.20 1.45 -0.76 0.02 0.00 0.00 176.35 176.87 1t7i s LEU 24 N 0.72 3.37 -0.42 1.79 1.43 -0.24 -0.26 118.68 125.07 1t7i s LEU 24 Ca 0.50 0.24 0.03 0.00 -1.03 0.00 0.00 54.13 53.88 1t7i s LEU 24 Cb -0.22 -2.96 0.11 0.00 0.03 0.00 0.00 46.19 43.16 1t7i s LEU 24 CO 0.28 -1.79 0.15 -0.62 0.23 0.00 0.00 176.35 174.60 1t7i s ASP 25 N 4.75 4.44 0.53 2.29 3.68 -0.40 -4.82 116.67 127.15 1t7i s ASP 25 Ca 0.53 -2.49 0.35 0.00 2.13 0.00 0.00 52.55 53.07 1t7i s ASP 25 Cb -0.11 -1.53 1.77 0.00 -1.45 0.00 0.00 42.92 41.61 1t7i s ASP 25 CO 0.24 -0.32 2.07 0.71 0.13 0.00 0.00 175.17 178.00 1t7i h THR 26 N 6.06 0.00 -0.01 1.71 1.35 -1.93 -2.22 112.91 117.87 1t7i h THR 26 Ca -0.06 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1t7i h THR 26 Cb 0.96 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1t7i h THR 26 CO 0.58 0.00 -0.03 0.61 -0.25 0.00 0.00 175.52 176.43 1t7i n GLY 27 N -0.71 -0.48 3.51 5.82 0.00 -1.26 -4.80 105.19 107.27 1t7i n GLY 27 Ca -0.01 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 1t7i n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t7i s ALA 28 N -2.10 3.30 0.14 4.61 0.00 -0.84 -4.98 121.76 121.89 1t7i s ALA 28 Ca 0.39 -1.08 -0.15 0.00 0.00 0.00 0.00 51.96 51.12 1t7i s ALA 28 Cb 0.21 -2.18 0.01 0.00 0.00 0.00 0.00 23.12 21.16 1t7i s ALA 28 CO 0.38 -0.44 1.70 -0.44 0.00 0.00 0.00 175.76 176.96 1t7i h ASP 29 N 8.12 0.59 -3.98 0.00 3.32 -1.87 0.50 116.42 123.10 1t7i h ASP 29 Ca -0.37 -0.16 -0.41 0.00 0.02 0.00 0.00 57.03 56.11 1t7i h ASP 29 Cb 1.18 -0.15 -0.18 0.00 0.22 0.00 0.00 39.33 40.40 1t7i h ASP 29 CO 0.58 0.59 -0.75 -1.81 -1.72 0.00 0.00 179.24 176.12 1t7i s ASP 30 N -5.88 2.03 0.11 6.45 1.01 -1.26 -2.56 116.67 116.58 1t7i s ASP 30 Ca -0.13 -0.84 -0.31 0.00 0.71 0.00 0.00 52.55 51.99 1t7i s ASP 30 Cb 0.11 -0.07 -0.07 0.00 1.01 0.00 0.00 42.92 43.90 1t7i s ASP 30 CO 0.76 -0.16 1.26 -0.89 0.21 0.00 0.00 175.17 176.35 1t7i s THR 31 N -2.26 3.66 -0.10 -1.27 2.01 -1.26 -4.10 115.64 112.31 1t7i s THR 31 Ca 0.10 1.24 0.00 0.00 0.31 0.00 0.00 61.69 63.35 1t7i s THR 31 Cb -0.04 -3.80 0.02 0.00 0.01 0.00 0.00 72.50 68.69 1t7i s THR 31 CO 0.03 0.12 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.31 1t7i s VAL 32 N 0.77 1.02 0.23 3.82 1.01 -0.27 -0.95 120.40 126.03 1t7i s VAL 32 Ca 0.59 -0.31 0.11 0.00 0.00 0.00 0.00 61.98 62.37 1t7i s VAL 32 Cb -0.33 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.98 1t7i s VAL 32 CO 0.32 0.36 -0.19 -0.76 0.00 0.00 0.00 175.10 174.82 1t7i s LEU 33 N 1.52 2.61 1.08 3.92 1.43 0.79 -0.93 118.68 129.09 1t7i s LEU 33 Ca 0.01 -0.88 -0.16 0.00 -1.03 0.00 0.00 54.13 52.07 1t7i s LEU 33 Cb -0.13 -1.24 0.11 0.00 0.03 0.00 0.00 46.19 44.96 1t7i s LEU 33 CO -0.06 0.08 0.23 -1.84 0.23 0.00 0.00 176.35 174.99 1t7i n GLU 34 N -0.16 -1.37 -1.78 1.70 0.28 -1.26 -1.80 120.64 116.26 1t7i n GLU 34 Ca -0.09 -0.37 -0.41 0.00 -0.16 0.00 0.00 57.16 56.12 1t7i n GLU 34 Cb 0.58 -1.80 -0.01 0.00 1.43 0.00 0.00 31.44 31.63 1t7i n GLU 34 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1t7i s GLU 35 N -3.61 4.12 -0.30 3.44 0.41 -1.23 -4.41 118.70 117.12 1t7i s GLU 35 Ca 0.58 2.58 -0.13 0.00 -0.41 0.00 0.00 54.97 57.59 1t7i s GLU 35 Cb -0.16 -3.02 0.13 0.00 -1.78 0.00 0.00 34.13 29.31 1t7i s GLU 35 CO 0.66 -0.63 0.78 -1.64 -0.49 0.00 0.00 175.26 173.94 1t7i s MET 36 N -0.67 0.50 -1.29 1.61 -1.94 -1.26 -5.02 119.30 111.22 1t7i s MET 36 Ca 0.62 1.16 -0.11 0.00 -1.71 0.00 0.00 55.69 55.65 1t7i s MET 36 Cb -0.48 0.60 0.14 0.00 2.01 0.00 0.00 34.83 37.10 1t7i s MET 36 CO 0.50 -0.16 1.83 -1.71 -0.01 0.00 0.00 175.02 175.47 1t7i n ASN 37 N 5.03 4.94 -4.78 3.03 5.15 -1.26 -4.97 115.26 122.40 1t7i n ASN 37 Ca -0.13 -3.04 -0.36 0.00 -0.60 0.00 0.00 54.58 50.45 1t7i n ASN 37 Cb 0.52 -1.54 -0.01 0.00 -0.53 0.00 0.00 39.78 38.22 1t7i n ASN 37 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1t7i s LEU 38 N 0.75 3.95 0.65 1.20 1.43 -1.26 -5.02 118.68 120.38 1t7i s LEU 38 Ca 0.42 2.20 -0.16 0.00 -1.03 0.00 0.00 54.13 55.56 1t7i s LEU 38 Cb 0.08 -4.35 -0.01 0.00 0.03 0.00 0.00 46.19 41.94 1t7i s LEU 38 CO -0.01 -0.91 1.13 -2.16 0.23 0.00 0.00 176.35 174.64 1t7i s PRO 39 N -2.86 2.80 0.00 1.29 0.04 -1.26 -4.95 135.00 130.06 1t7i s PRO 39 Ca 0.65 1.50 0.00 0.00 0.04 0.00 0.00 61.00 63.19 1t7i s PRO 39 Cb -0.25 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1t7i s PRO 39 CO 0.30 -1.27 0.00 0.41 0.04 0.00 0.00 177.00 176.48 1t7i n GLY 40 N -0.23 -2.41 3.88 0.56 0.00 -1.26 -5.01 105.19 100.72 1t7i n GLY 40 Ca 0.11 -2.10 -0.30 0.00 0.00 0.00 0.00 46.02 43.73 1t7i n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1t7i s ARG 41 N -0.35 3.40 0.26 1.61 0.52 -1.26 -5.08 118.95 118.04 1t7i s ARG 41 Ca 0.00 0.55 -0.16 0.00 -0.52 0.00 0.00 55.73 55.60 1t7i s ARG 41 Cb 0.00 -2.13 0.01 0.00 0.52 0.00 0.00 34.95 33.34 1t7i s ARG 41 CO 0.00 -0.61 0.57 1.67 0.02 0.00 0.00 175.30 176.96 1t7i s TRP 42 N -3.13 0.14 0.02 -0.53 1.48 -1.26 -4.56 118.94 111.10 1t7i s TRP 42 Ca 0.54 -0.54 0.03 0.00 -1.06 0.00 0.00 56.10 55.08 1t7i s TRP 42 Cb -0.11 0.40 -0.02 0.00 -1.16 0.00 0.00 33.47 32.59 1t7i s TRP 42 CO 0.51 -1.09 -0.10 0.15 -4.06 0.00 0.00 176.95 172.36 1t7i s LYS 43 N -3.98 0.71 0.38 3.25 -0.14 -0.47 -4.91 119.74 114.59 1t7i s LYS 43 Ca 0.18 -0.56 -0.25 0.00 -1.36 0.00 0.00 55.97 53.98 1t7i s LYS 43 Cb -0.03 -0.65 -0.09 0.00 -1.68 0.00 0.00 37.83 35.38 1t7i s LYS 43 CO 0.08 0.16 1.06 -1.25 -0.76 0.00 0.00 175.35 174.64 1t7i s PRO 44 N -0.85 4.23 0.04 -1.68 0.04 -1.26 0.19 135.00 135.71 1t7i s PRO 44 Ca -0.01 1.57 -0.13 0.00 0.04 0.00 0.00 61.00 62.47 1t7i s PRO 44 Cb -0.06 -2.64 0.02 0.00 0.04 0.00 0.00 34.50 31.85 1t7i s PRO 44 CO 0.00 -0.10 0.30 0.21 0.04 0.00 0.00 177.00 177.45 1t7i s LYS 45 N -2.33 0.80 -0.10 4.56 2.20 -0.44 -4.87 119.74 119.56 1t7i s LYS 45 Ca 0.56 -0.52 -0.01 0.00 -0.36 0.00 0.00 55.97 55.63 1t7i s LYS 45 Cb -0.24 0.35 -0.03 0.00 -1.51 0.00 0.00 37.83 36.40 1t7i s LYS 45 CO 0.30 -0.26 -0.04 -1.64 -0.36 0.00 0.00 175.35 173.35 1t7i s MET 46 N -2.58 3.15 0.08 4.03 -1.94 -1.26 -0.99 119.30 119.78 1t7i s MET 46 Ca -0.05 -0.51 0.06 0.00 -1.71 0.00 0.00 55.69 53.49 1t7i s MET 46 Cb -0.01 -2.76 -0.03 0.00 2.01 0.00 0.00 34.83 34.05 1t7i s MET 46 CO -0.04 0.51 -0.17 0.96 -0.01 0.00 0.00 175.02 176.28 1t7i s ILE 47 N -0.39 1.33 0.01 2.53 -4.36 -0.59 -4.98 121.20 114.76 1t7i s ILE 47 Ca 0.06 -1.34 0.07 0.00 -0.26 0.00 0.00 60.65 59.17 1t7i s ILE 47 Cb -0.12 -1.24 -0.02 0.00 1.25 0.00 0.00 42.46 42.33 1t7i s ILE 47 CO 0.02 -0.13 -0.20 -0.83 0.24 0.00 0.00 174.94 174.05 1t7i s GLY 48 N -1.70 1.02 0.00 6.27 0.00 -1.26 -0.97 107.32 110.68 1t7i s GLY 48 Ca 0.02 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.80 1t7i s GLY 48 CO 0.03 -0.83 0.00 0.61 0.00 0.00 0.00 173.10 172.91 1t7i n GLY 49 N 2.25 3.82 3.71 0.20 0.00 -0.35 -4.98 105.19 109.83 1t7i n GLY 49 Ca -0.16 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 1t7i n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1t7i s ILE 50 N -1.46 2.68 0.00 -0.61 1.01 -1.26 -1.60 121.20 119.96 1t7i s ILE 50 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 60.65 61.04 1t7i s ILE 50 Cb 0.00 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.22 1t7i s ILE 50 CO 0.00 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.57 1t7i n GLY 51 N 3.88 1.26 0.00 6.18 0.00 -1.26 -4.95 105.19 110.29 1t7i n GLY 51 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1t7i n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t7i n GLY 52 N -2.00 0.19 3.80 -0.02 0.00 -0.63 -5.08 105.19 101.45 1t7i n GLY 52 Ca 0.00 -2.14 -0.27 0.00 0.00 0.00 0.00 46.02 43.61 1t7i n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1t7i s PHE 53 N 0.00 3.18 0.18 1.61 0.40 -1.26 -1.21 117.98 120.88 1t7i s PHE 53 Ca 0.00 0.01 0.08 0.00 -0.60 0.00 0.00 56.93 56.43 1t7i s PHE 53 Cb 0.00 -1.55 -0.04 0.00 0.51 0.00 0.00 43.02 41.94 1t7i s PHE 53 CO 0.00 0.52 -0.17 0.96 0.70 0.00 0.00 175.22 177.23 1t7i s ILE 54 N -1.66 1.82 -0.06 0.64 -4.36 -0.14 -4.97 121.20 112.46 1t7i s ILE 54 Ca 0.31 -2.04 -0.18 0.00 -0.26 0.00 0.00 60.65 58.47 1t7i s ILE 54 Cb -0.11 -1.93 -0.05 0.00 1.25 0.00 0.00 42.46 41.63 1t7i s ILE 54 CO 0.23 -0.42 0.50 -0.75 0.24 0.00 0.00 174.94 174.74 1t7i s LYS 55 N -3.13 4.25 0.14 0.37 2.36 -1.26 -1.55 119.74 120.93 1t7i s LYS 55 Ca 0.19 0.53 0.01 0.00 -2.55 0.00 0.00 55.97 54.15 1t7i s LYS 55 Cb -0.04 -3.37 -0.04 0.00 -1.05 0.00 0.00 37.83 33.33 1t7i s LYS 55 CO 0.07 0.32 -0.01 0.14 1.55 0.00 0.00 175.35 177.42 1t7i s VAL 56 N 0.05 0.59 -0.23 4.02 -7.23 -0.16 -4.33 120.40 113.11 1t7i s VAL 56 Ca 0.27 -1.95 -0.08 0.00 -1.81 0.00 0.00 61.98 58.41 1t7i s VAL 56 Cb -0.16 -1.95 -0.03 0.00 0.56 0.00 0.00 36.38 34.79 1t7i s VAL 56 CO 0.13 -0.62 0.08 -0.13 -0.31 0.00 0.00 175.10 174.25 1t7i s ARG 57 N -3.91 3.77 -0.35 4.82 0.52 0.09 -1.33 118.95 122.56 1t7i s ARG 57 Ca 0.20 -0.43 -0.20 0.00 -0.52 0.00 0.00 55.73 54.77 1t7i s ARG 57 Cb 0.06 -3.33 0.00 0.00 0.52 0.00 0.00 34.95 32.20 1t7i s ARG 57 CO 0.00 -0.07 0.63 -1.14 0.02 0.00 0.00 175.30 174.74 1t7i s GLN 58 N 1.31 3.69 -0.11 3.54 0.74 0.13 -0.58 119.66 128.38 1t7i s GLN 58 Ca 0.05 0.05 -0.04 0.00 0.05 0.00 0.00 55.36 55.48 1t7i s GLN 58 Cb -0.15 -3.80 -0.03 0.00 1.10 0.00 0.00 33.01 30.13 1t7i s GLN 58 CO 0.04 -0.72 0.03 0.71 -0.55 0.00 0.00 175.29 174.80 1t7i s TYR 59 N 2.68 3.22 0.15 1.67 1.51 -0.23 -1.37 117.35 124.98 1t7i s TYR 59 Ca 0.24 0.18 0.07 0.00 -1.01 0.00 0.00 57.07 56.54 1t7i s TYR 59 Cb -0.15 -1.87 -0.04 0.00 -0.11 0.00 0.00 41.96 39.79 1t7i s TYR 59 CO 0.14 0.41 -0.01 -0.51 -1.11 0.00 0.00 175.55 174.47 1t7i s ASP 60 N -0.59 4.79 -1.30 2.29 1.01 -1.26 -0.85 116.67 120.75 1t7i s ASP 60 Ca 0.10 -0.35 -0.01 0.00 0.71 0.00 0.00 52.55 53.00 1t7i s ASP 60 Cb -0.12 -1.03 -0.00 0.00 1.01 0.00 0.00 42.92 42.78 1t7i s ASP 60 CO 0.02 0.11 0.68 0.00 0.21 0.00 0.00 175.17 176.20 1t7i n GLN 61 N 0.09 -4.61 -3.45 8.23 1.13 -1.12 -4.90 117.38 112.76 1t7i n GLN 61 Ca -0.10 0.60 -0.38 0.00 -1.94 0.00 0.00 57.00 55.18 1t7i n GLN 61 Cb 0.54 -5.10 -0.08 0.00 0.11 0.00 0.00 30.24 25.70 1t7i n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1t7i s ILE 62 N -3.68 5.23 0.16 5.09 -1.09 -0.38 -4.73 121.20 121.79 1t7i s ILE 62 Ca 0.02 0.53 -0.30 0.00 -2.23 0.00 0.00 60.65 58.68 1t7i s ILE 62 Cb -0.01 -3.66 -0.07 0.00 -1.58 0.00 0.00 42.46 37.14 1t7i s ILE 62 CO 0.82 0.24 1.14 -2.84 -1.23 0.00 0.00 174.94 173.07 1t7i s PRO 63 N 1.49 4.54 -0.06 2.79 0.02 -1.26 -2.15 135.00 140.37 1t7i s PRO 63 Ca 0.15 1.76 -0.03 0.00 0.02 0.00 0.00 61.00 62.91 1t7i s PRO 63 Cb -0.15 -3.28 0.03 0.00 0.02 0.00 0.00 34.50 31.12 1t7i s PRO 63 CO 0.08 -0.03 0.13 -1.50 -0.33 0.00 0.00 177.00 175.35 1t7i s ILE 64 N 0.06 -0.05 -0.21 2.83 -1.16 -0.48 -4.49 121.20 117.71 1t7i s ILE 64 Ca 0.52 0.17 -0.10 0.00 -0.51 0.00 0.00 60.65 60.73 1t7i s ILE 64 Cb -0.30 -0.21 -0.05 0.00 0.61 0.00 0.00 42.46 42.51 1t7i s ILE 64 CO 0.34 0.07 0.13 -1.61 -2.81 0.00 0.00 174.94 171.06 1t7i s GLU 65 N 1.05 4.16 -0.23 3.50 8.01 -0.44 -1.76 118.70 132.99 1t7i s GLU 65 Ca -0.08 -0.24 0.01 0.00 0.01 0.00 0.00 54.97 54.67 1t7i s GLU 65 Cb -0.11 -3.43 0.06 0.00 -4.31 0.00 0.00 34.13 26.34 1t7i s GLU 65 CO -0.05 0.25 -0.07 0.42 0.01 0.00 0.00 175.26 175.83 1t7i s ILE 66 N 0.49 1.61 -1.61 -1.63 1.01 0.41 -0.64 121.20 120.84 1t7i s ILE 66 Ca 0.08 -1.21 -0.15 0.00 0.00 0.00 0.00 60.65 59.37 1t7i s ILE 66 Cb -0.12 -1.82 0.12 0.00 0.01 0.00 0.00 42.46 40.65 1t7i s ILE 66 CO -0.01 -0.03 0.83 0.00 0.00 0.00 0.00 174.94 175.73 1t7i n GLY 68 N -1.56 0.84 3.88 0.00 0.00 -1.26 -5.02 105.19 102.07 1t7i n GLY 68 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1t7i n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1t7i s HIS 69 N -3.34 3.60 0.06 1.61 4.02 0.13 -5.08 115.29 116.28 1t7i s HIS 69 Ca 0.00 0.55 -0.22 0.00 1.02 0.00 0.00 55.06 56.41 1t7i s HIS 69 Cb 0.00 -1.96 -0.06 0.00 -1.02 0.00 0.00 32.58 29.54 1t7i s HIS 69 CO 0.00 0.70 0.65 0.15 1.02 0.00 0.00 174.74 177.26 1t7i s LYS 70 N -1.29 4.35 0.06 1.40 1.02 -1.26 -0.44 119.74 123.58 1t7i s LYS 70 Ca 0.20 0.87 -0.03 0.00 0.02 0.00 0.00 55.97 57.02 1t7i s LYS 70 Cb -0.13 -3.29 -0.03 0.00 -0.52 0.00 0.00 37.83 33.86 1t7i s LYS 70 CO 0.09 0.49 0.03 0.00 -0.92 0.00 0.00 175.35 175.04 1t7i s ALA 71 N -0.67 0.32 -0.24 5.17 0.00 -0.72 -4.69 121.76 120.93 1t7i s ALA 71 Ca 0.32 -1.06 -0.10 0.00 0.00 0.00 0.00 51.96 51.12 1t7i s ALA 71 Cb -0.20 0.34 0.09 0.00 0.00 0.00 0.00 23.12 23.35 1t7i s ALA 71 CO 0.20 -0.41 0.54 -1.50 0.00 0.00 0.00 175.76 174.59 1t7i s ILE 72 N -3.91 -0.52 -1.37 0.00 2.07 -1.26 -1.38 121.20 114.84 1t7i s ILE 72 Ca 0.07 0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.38 1t7i s ILE 72 Cb 0.07 -0.82 0.00 0.00 0.13 0.00 0.00 42.46 41.84 1t7i s ILE 72 CO -0.10 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.57 1t7i n GLY 73 N 5.00 -0.62 3.75 1.50 0.00 -0.91 -4.84 105.19 109.06 1t7i n GLY 73 Ca -0.14 -0.59 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 1t7i n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t7i s THR 74 N -3.43 3.92 -0.07 2.61 2.01 -1.26 -1.25 115.64 118.17 1t7i s THR 74 Ca 0.00 1.83 -0.00 0.00 0.31 0.00 0.00 61.69 63.83 1t7i s THR 74 Cb 0.00 -4.17 0.02 0.00 0.01 0.00 0.00 72.50 68.37 1t7i s THR 74 CO 0.00 0.40 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.60 1t7i s VAL 75 N -0.85 0.59 -0.13 3.82 1.01 -0.03 -4.42 120.40 120.38 1t7i s VAL 75 Ca 0.44 -0.06 -0.13 0.00 0.00 0.00 0.00 61.98 62.23 1t7i s VAL 75 Cb -0.28 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.39 1t7i s VAL 75 CO 0.35 0.27 0.30 -0.76 0.00 0.00 0.00 175.10 175.26 1t7i s LEU 76 N 1.52 4.30 -0.11 3.92 1.43 -0.13 -1.07 118.68 128.54 1t7i s LEU 76 Ca -0.01 0.59 0.04 0.00 -1.03 0.00 0.00 54.13 53.71 1t7i s LEU 76 Cb -0.13 -2.39 0.00 0.00 0.03 0.00 0.00 46.19 43.70 1t7i s LEU 76 CO -0.04 0.16 -0.24 -0.69 0.23 0.00 0.00 176.35 175.78 1t7i s VAL 77 N 0.07 2.05 -0.61 -1.59 1.01 0.25 -0.15 120.40 121.44 1t7i s VAL 77 Ca 0.18 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1t7i s VAL 77 Cb -0.14 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.47 1t7i s VAL 77 CO 0.06 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.32 1t7i n GLY 78 N 3.61 -1.30 2.38 4.51 0.00 -0.74 -0.73 105.19 112.91 1t7i n GLY 78 Ca -0.19 -1.03 -0.39 0.00 0.00 0.00 0.00 46.02 44.41 1t7i n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1t7i n PRO 79 N -0.11 3.93 -2.67 1.61 -0.04 -1.26 -3.52 135.00 132.94 1t7i n PRO 79 Ca 0.00 -2.57 -0.40 0.00 -0.04 0.00 0.00 63.50 60.49 1t7i n PRO 79 Cb 0.00 -2.77 -0.05 0.00 -0.04 0.00 0.00 33.50 30.64 1t7i n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1t7i s THR 80 N 1.27 3.95 0.47 0.52 -1.32 -1.26 -4.93 115.64 114.34 1t7i s THR 80 Ca 0.65 1.92 0.14 0.00 -1.21 0.00 0.00 61.69 63.18 1t7i s THR 80 Cb 0.18 -4.22 0.29 0.00 -1.51 0.00 0.00 72.50 67.24 1t7i s THR 80 CO -0.07 0.44 2.08 -0.65 -2.21 0.00 0.00 174.62 174.21 1t7i h PRO 81 N 4.22 0.24 -3.64 7.08 0.11 -1.99 -3.44 132.00 134.58 1t7i h PRO 81 Ca -0.45 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 65.42 1t7i h PRO 81 Cb 1.20 -0.05 -0.28 0.00 0.11 0.00 0.00 31.00 31.98 1t7i h PRO 81 CO 0.68 0.16 -0.68 0.95 -0.21 0.00 0.00 178.00 178.90 1t7i s THR 82 N -5.25 -0.00 0.16 -1.15 -4.23 -1.26 -5.11 115.64 98.80 1t7i s THR 82 Ca -0.06 0.00 -0.31 0.00 -1.18 0.00 0.00 61.69 60.14 1t7i s THR 82 Cb 0.18 -0.06 -0.09 0.00 1.34 0.00 0.00 72.50 73.87 1t7i s THR 82 CO 0.71 0.00 1.37 0.20 -0.54 0.00 0.00 174.62 176.36 1t7i s ASN 83 N 0.04 6.82 -0.04 3.99 0.01 -1.26 -4.85 114.94 119.65 1t7i s ASN 83 Ca -0.00 2.41 0.02 0.00 -0.71 0.00 0.00 52.86 54.58 1t7i s ASN 83 Cb -0.01 -2.60 0.01 0.00 0.41 0.00 0.00 41.25 39.07 1t7i s ASN 83 CO -0.00 -0.62 -0.09 0.68 -1.51 0.00 0.00 177.10 175.56 1t7i s VAL 84 N 0.61 0.81 -0.42 1.60 -7.23 -0.11 -1.02 120.40 114.63 1t7i s VAL 84 Ca 0.61 -0.33 -0.20 0.00 -1.81 0.00 0.00 61.98 60.26 1t7i s VAL 84 Cb -0.38 -0.75 0.02 0.00 0.56 0.00 0.00 36.38 35.84 1t7i s VAL 84 CO 0.35 0.27 0.58 -0.63 -0.31 0.00 0.00 175.10 175.35 1t7i s ILE 85 N 0.47 4.92 0.61 -0.62 -1.09 0.64 -1.11 121.20 125.02 1t7i s ILE 85 Ca -0.08 0.01 0.02 0.00 -2.23 0.00 0.00 60.65 58.37 1t7i s ILE 85 Cb -0.12 -4.14 0.12 0.00 -1.58 0.00 0.00 42.46 36.74 1t7i s ILE 85 CO 0.01 -0.51 0.84 0.61 -1.23 0.00 0.00 174.94 174.66 1t7i n GLY 86 N 5.03 0.92 0.32 6.18 0.00 -1.26 -1.28 105.19 115.11 1t7i n GLY 86 Ca -0.03 -2.06 0.09 0.00 0.00 0.00 0.00 46.02 44.01 1t7i n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1t7i h ARG 87 N 0.00 0.37 -0.91 1.61 3.08 -0.80 -1.17 114.38 116.56 1t7i h ARG 87 Ca -0.28 -0.02 0.19 0.00 0.07 0.00 0.00 59.98 59.94 1t7i h ARG 87 Cb 1.07 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.97 1t7i h ARG 87 CO 0.32 0.25 0.59 -2.95 -1.07 0.00 0.00 179.97 177.11 1t7i h ASN 88 N 0.38 0.48 0.00 7.04 -1.07 -1.76 -2.41 115.58 118.25 1t7i h ASN 88 Ca 0.18 0.05 -0.34 0.00 0.07 0.00 0.00 56.30 56.26 1t7i h ASN 88 Cb 0.24 -0.04 -0.07 0.00 -2.07 0.00 0.00 38.32 36.38 1t7i h ASN 88 CO -0.04 0.20 -2.34 0.18 0.07 0.00 0.00 177.43 175.50 1t7i n LEU 89 N -4.55 0.00 -0.31 6.14 4.77 -0.78 -4.39 117.00 117.89 1t7i n LEU 89 Ca 0.19 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.15 1t7i n LEU 89 Cb 0.65 0.47 0.10 0.00 -2.33 0.00 0.00 43.42 42.31 1t7i n LEU 89 CO 0.29 0.47 1.21 -0.07 -1.33 0.00 0.00 177.39 177.96 1t7i h LEU 90 N 0.00 0.91 -1.11 2.23 3.38 -0.99 -1.23 115.31 118.49 1t7i h LEU 90 Ca -0.51 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 1t7i h LEU 90 Cb 2.16 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 42.67 1t7i h LEU 90 CO 0.03 0.63 0.41 0.71 0.09 0.00 0.00 178.44 180.31 1t7i h THR 91 N 1.06 1.22 0.00 0.22 1.35 -1.66 -1.61 112.91 113.50 1t7i h THR 91 Ca 0.33 -0.54 -0.04 0.00 -0.55 0.00 0.00 66.41 65.61 1t7i h THR 91 Cb -0.02 0.21 -0.01 0.00 -1.73 0.00 0.00 68.15 66.61 1t7i h THR 91 CO -0.11 0.24 -0.17 1.56 -0.25 0.00 0.00 175.52 176.80 1t7i h GLN 92 N 1.04 0.00 -0.68 4.72 4.20 -1.44 -2.18 115.11 120.77 1t7i h GLN 92 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 1t7i h GLN 92 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1t7i h GLN 92 CO -0.04 0.17 0.00 0.44 -0.67 0.00 0.00 178.83 178.73 1t7i n ILE 93 N -3.62 0.99 -1.33 2.54 -5.35 -1.04 -4.93 119.36 106.63 1t7i n ILE 93 Ca -0.01 -1.00 0.00 0.00 -0.27 0.00 0.00 62.75 61.47 1t7i n ILE 93 Cb 0.30 0.51 0.00 0.00 -1.74 0.00 0.00 39.64 38.71 1t7i n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1t7i n GLY 94 N 1.51 0.40 3.73 3.28 0.00 -0.82 -5.04 105.19 108.24 1t7i n GLY 94 Ca 0.23 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 1t7i n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t7i s THR 96 N 0.22 0.65 -0.12 0.00 -4.23 -1.26 -4.69 115.64 106.20 1t7i s THR 96 Ca 0.56 -1.99 -0.07 0.00 -1.18 0.00 0.00 61.69 59.01 1t7i s THR 96 Cb -0.34 -2.31 -0.04 0.00 1.34 0.00 0.00 72.50 71.15 1t7i s THR 96 CO 0.36 -0.30 0.13 -0.76 -0.54 0.00 0.00 174.62 173.51 1t7i s LEU 97 N -3.23 4.33 -0.03 4.79 1.43 -1.26 -5.09 118.68 119.62 1t7i s LEU 97 Ca 0.29 0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 53.82 1t7i s LEU 97 Cb 0.07 -2.05 0.03 0.00 0.03 0.00 0.00 46.19 44.26 1t7i s LEU 97 CO 0.08 0.40 0.06 0.20 0.23 0.00 0.00 176.35 177.32 1t7i s ASN 98 N -0.96 0.23 0.00 2.29 -0.87 -1.26 -5.29 114.94 109.08 1t7i s ASN 98 Ca 0.15 0.11 0.00 0.00 -1.57 0.00 0.00 52.86 51.54 1t7i s ASN 98 Cb -0.12 -0.02 0.00 0.00 -0.02 0.00 0.00 41.25 41.09 1t7i s ASN 98 CO 0.04 -0.16 0.00 2.22 -2.57 0.00 0.00 177.10 176.63