#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xl2 s GLN 2 N 0.00 3.19 -0.26 0.54 0.74 -1.26 -5.10 119.66 117.51 1xl2 s GLN 2 Ca 0.00 -0.74 -0.09 0.00 0.05 0.00 0.00 55.36 54.58 1xl2 s GLN 2 Cb 0.00 -2.69 -0.03 0.00 1.10 0.00 0.00 33.01 31.39 1xl2 s GLN 2 CO 0.00 -0.08 0.11 0.42 -0.55 0.00 0.00 175.29 175.19 1xl2 s ILE 3 N 1.07 4.59 0.62 -2.34 -1.09 -1.26 -5.09 121.20 117.71 1xl2 s ILE 3 Ca -0.00 -0.12 -0.16 0.00 -2.23 0.00 0.00 60.65 58.13 1xl2 s ILE 3 Cb -0.15 -3.19 -0.02 0.00 -1.58 0.00 0.00 42.46 37.53 1xl2 s ILE 3 CO -0.04 0.28 1.11 0.28 -1.23 0.00 0.00 174.94 175.34 1xl2 s THR 4 N 1.65 3.28 -0.66 2.92 -1.32 -1.26 -4.99 115.64 115.25 1xl2 s THR 4 Ca 0.06 0.65 0.13 0.00 -1.21 0.00 0.00 61.69 61.31 1xl2 s THR 4 Cb -0.16 -3.18 0.38 0.00 -1.51 0.00 0.00 72.50 68.04 1xl2 s THR 4 CO 0.06 -0.32 1.31 0.18 -2.21 0.00 0.00 174.62 173.64 1xl2 n LEU 5 N -2.08 3.24 0.24 9.08 4.77 -1.26 -4.50 117.00 126.49 1xl2 n LEU 5 Ca 0.11 -2.34 0.10 0.00 -0.03 0.00 0.00 56.01 53.84 1xl2 n LEU 5 Cb 0.52 -0.33 0.58 0.00 -2.33 0.00 0.00 43.42 41.85 1xl2 n LEU 5 CO 0.46 0.71 0.88 -0.50 -1.33 0.00 0.00 177.39 177.61 1xl2 h TRP 6 N 1.93 0.00 -2.50 -1.77 4.06 -2.05 -3.42 115.95 112.20 1xl2 h TRP 6 Ca 0.00 0.00 -0.52 0.00 2.06 0.00 0.00 58.89 60.43 1xl2 h TRP 6 Cb 0.97 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.99 1xl2 h TRP 6 CO 0.32 0.20 -0.69 -0.65 -3.56 0.00 0.00 178.44 174.06 1xl2 s GLN 7 N -4.06 1.59 0.18 0.49 1.11 -1.26 -5.10 119.66 112.61 1xl2 s GLN 7 Ca -0.02 -1.79 -0.33 0.00 0.01 0.00 0.00 55.36 53.23 1xl2 s GLN 7 Cb 0.13 -1.31 -0.15 0.00 -1.01 0.00 0.00 33.01 30.67 1xl2 s GLN 7 CO 0.63 0.09 1.26 0.54 0.01 0.00 0.00 175.29 177.82 1xl2 n ARG 8 N -0.61 1.39 -1.89 2.91 1.74 -1.26 -4.81 116.66 114.14 1xl2 n ARG 8 Ca -0.06 0.50 -0.41 0.00 -0.77 0.00 0.00 57.85 57.11 1xl2 n ARG 8 Cb 0.63 -2.06 -0.01 0.00 -1.02 0.00 0.00 32.46 29.99 1xl2 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1xl2 n PRO 9 N 1.99 2.61 -3.24 5.56 -0.04 -1.26 -4.92 135.00 135.69 1xl2 n PRO 9 Ca 0.15 -2.64 -0.38 0.00 -0.04 0.00 0.00 63.50 60.58 1xl2 n PRO 9 Cb 0.26 -3.32 -0.06 0.00 -0.04 0.00 0.00 33.50 30.34 1xl2 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xl2 s LEU 10 N 3.32 4.29 0.25 1.53 1.43 -1.26 -1.50 118.68 126.74 1xl2 s LEU 10 Ca 0.52 0.92 0.02 0.00 -1.03 0.00 0.00 54.13 54.56 1xl2 s LEU 10 Cb 0.10 -2.80 -0.05 0.00 0.03 0.00 0.00 46.19 43.47 1xl2 s LEU 10 CO 0.01 -0.03 0.07 0.68 0.23 0.00 0.00 176.35 177.32 1xl2 s VAL 11 N 0.65 0.65 -0.03 -1.59 -7.23 0.16 -4.93 120.40 108.08 1xl2 s VAL 11 Ca 0.29 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.25 1xl2 s VAL 11 Cb -0.16 -2.56 -0.05 0.00 0.56 0.00 0.00 36.38 34.17 1xl2 s VAL 11 CO 0.12 -0.08 0.61 -0.89 -0.31 0.00 0.00 175.10 174.55 1xl2 s THR 12 N -3.69 4.96 0.31 5.32 2.01 -1.26 -0.70 115.64 122.59 1xl2 s THR 12 Ca 0.35 1.27 0.09 0.00 0.31 0.00 0.00 61.69 63.71 1xl2 s THR 12 Cb 0.08 -3.95 -0.06 0.00 0.01 0.00 0.00 72.50 68.58 1xl2 s THR 12 CO 0.12 0.37 -0.10 0.27 -0.69 0.00 0.00 174.62 174.59 1xl2 s ILE 13 N 0.12 2.08 -0.07 1.82 -4.36 0.16 -3.30 121.20 117.65 1xl2 s ILE 13 Ca 0.32 -2.21 0.00 0.00 -0.26 0.00 0.00 60.65 58.50 1xl2 s ILE 13 Cb -0.18 -2.51 0.02 0.00 1.25 0.00 0.00 42.46 41.05 1xl2 s ILE 13 CO 0.17 -0.28 -0.05 -0.75 0.24 0.00 0.00 174.94 174.27 1xl2 s LYS 14 N -3.63 1.07 -0.15 0.37 2.20 -0.32 -0.66 119.74 118.61 1xl2 s LYS 14 Ca 0.31 -0.13 -0.00 0.00 -0.36 0.00 0.00 55.97 55.78 1xl2 s LYS 14 Cb 0.02 -1.13 0.03 0.00 -1.51 0.00 0.00 37.83 35.24 1xl2 s LYS 14 CO 0.14 -0.17 -0.08 -1.50 -0.36 0.00 0.00 175.35 173.39 1xl2 s ILE 15 N 1.34 1.21 0.00 5.43 2.07 0.57 -1.08 121.20 130.73 1xl2 s ILE 15 Ca -0.04 -0.57 0.00 0.00 -1.41 0.00 0.00 60.65 58.64 1xl2 s ILE 15 Cb -0.14 -1.29 0.00 0.00 0.13 0.00 0.00 42.46 41.17 1xl2 s ILE 15 CO -0.03 0.25 0.00 0.61 -1.91 0.00 0.00 174.94 173.87 1xl2 n GLY 16 N 4.86 2.12 2.49 1.50 0.00 -1.26 -2.03 105.19 112.87 1xl2 n GLY 16 Ca -0.13 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 1xl2 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xl2 n GLY 17 N 0.00 5.91 3.15 -0.02 0.00 -1.26 -4.93 105.19 108.05 1xl2 n GLY 17 Ca 0.00 -2.56 -0.32 0.00 0.00 0.00 0.00 46.02 43.14 1xl2 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xl2 s GLN 18 N -3.78 2.93 -0.05 1.61 -1.52 -0.86 -5.12 119.66 112.86 1xl2 s GLN 18 Ca 0.54 -0.82 -0.11 0.00 -1.95 0.00 0.00 55.36 53.01 1xl2 s GLN 18 Cb 0.44 -2.39 -0.05 0.00 -0.22 0.00 0.00 33.01 30.79 1xl2 s GLN 18 CO -0.17 -0.04 0.29 -0.51 -0.25 0.00 0.00 175.29 174.61 1xl2 s LEU 19 N 0.89 4.43 0.08 2.90 1.02 -1.26 -0.32 118.68 126.43 1xl2 s LEU 19 Ca -0.06 0.75 -0.08 0.00 0.02 0.00 0.00 54.13 54.76 1xl2 s LEU 19 Cb -0.15 -2.37 -0.00 0.00 0.02 0.00 0.00 46.19 43.69 1xl2 s LEU 19 CO -0.03 0.35 0.17 -0.54 0.02 0.00 0.00 176.35 176.32 1xl2 s LYS 20 N -1.02 0.80 0.03 1.70 1.02 0.17 -4.98 119.74 117.46 1xl2 s LYS 20 Ca 0.20 -0.93 -0.21 0.00 0.02 0.00 0.00 55.97 55.05 1xl2 s LYS 20 Cb -0.15 0.32 -0.06 0.00 -0.52 0.00 0.00 37.83 37.43 1xl2 s LYS 20 CO 0.09 -0.24 0.61 -2.00 -0.92 0.00 0.00 175.35 172.89 1xl2 s GLU 21 N -3.68 4.32 0.01 1.68 2.12 -1.26 0.37 118.70 122.27 1xl2 s GLU 21 Ca 0.04 0.79 -0.06 0.00 0.36 0.00 0.00 54.97 56.10 1xl2 s GLU 21 Cb 0.04 -3.31 -0.00 0.00 0.26 0.00 0.00 34.13 31.12 1xl2 s GLU 21 CO -0.10 0.44 0.11 0.00 -0.54 0.00 0.00 175.26 175.17 1xl2 s ALA 22 N -0.47 -0.22 -0.21 6.30 0.00 0.12 -4.35 121.76 122.94 1xl2 s ALA 22 Ca 0.31 -0.28 -0.14 0.00 0.00 0.00 0.00 51.96 51.85 1xl2 s ALA 22 Cb -0.19 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 1xl2 s ALA 22 CO 0.19 -0.22 0.33 -1.17 0.00 0.00 0.00 175.76 174.88 1xl2 s LEU 23 N -1.55 4.15 -0.56 0.00 2.96 0.10 -0.67 118.68 123.12 1xl2 s LEU 23 Ca -0.13 0.41 -0.28 0.00 -0.22 0.00 0.00 54.13 53.91 1xl2 s LEU 23 Cb -0.07 -2.40 0.02 0.00 0.50 0.00 0.00 46.19 44.25 1xl2 s LEU 23 CO 0.00 -0.02 1.33 -0.76 -1.32 0.00 0.00 176.35 175.58 1xl2 s LEU 24 N 1.16 3.43 -0.36 -0.68 1.43 -0.56 -0.55 118.68 122.55 1xl2 s LEU 24 Ca 0.16 0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.53 1xl2 s LEU 24 Cb -0.14 -3.12 0.10 0.00 0.03 0.00 0.00 46.19 43.06 1xl2 s LEU 24 CO 0.07 -1.61 0.09 -0.62 0.23 0.00 0.00 176.35 174.50 1xl2 s ASP 25 N 3.87 4.89 0.51 2.29 -1.08 -0.00 -4.81 116.67 122.33 1xl2 s ASP 25 Ca 0.49 -2.12 0.31 0.00 -0.52 0.00 0.00 52.55 50.71 1xl2 s ASP 25 Cb -0.10 -1.68 1.17 0.00 -1.46 0.00 0.00 42.92 40.85 1xl2 s ASP 25 CO 0.25 -0.42 1.90 0.71 0.52 0.00 0.00 175.17 178.14 1xl2 h THR 26 N 6.55 0.00 0.00 1.71 1.35 -1.94 -2.41 112.91 118.17 1xl2 h THR 26 Ca -0.06 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 1xl2 h THR 26 Cb 1.03 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 1xl2 h THR 26 CO 0.56 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.44 1xl2 n GLY 27 N 0.23 -1.38 3.64 5.82 0.00 -1.26 -4.79 105.19 107.44 1xl2 n GLY 27 Ca 0.01 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 1xl2 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xl2 s ALA 28 N -2.76 3.57 0.23 4.61 0.00 -0.91 -4.96 121.76 121.54 1xl2 s ALA 28 Ca 0.22 -0.76 -0.02 0.00 0.00 0.00 0.00 51.96 51.40 1xl2 s ALA 28 Cb 0.20 -2.59 0.23 0.00 0.00 0.00 0.00 23.12 20.96 1xl2 s ALA 28 CO 0.49 -0.44 1.63 -0.44 0.00 0.00 0.00 175.76 177.01 1xl2 h ASP 29 N 7.79 0.68 -2.15 0.00 3.32 -1.86 0.13 116.42 124.33 1xl2 h ASP 29 Ca -0.35 -0.26 -0.58 0.00 0.02 0.00 0.00 57.03 55.86 1xl2 h ASP 29 Cb 1.17 -0.19 -0.11 0.00 0.22 0.00 0.00 39.33 40.41 1xl2 h ASP 29 CO 0.66 0.93 -0.68 -1.81 -1.72 0.00 0.00 179.24 176.62 1xl2 s ASP 30 N -6.79 4.13 -0.19 6.45 1.01 -1.26 -2.88 116.67 117.13 1xl2 s ASP 30 Ca -0.08 -0.85 -0.13 0.00 0.71 0.00 0.00 52.55 52.20 1xl2 s ASP 30 Cb 0.13 -0.59 -0.05 0.00 1.01 0.00 0.00 42.92 43.42 1xl2 s ASP 30 CO 0.82 -0.03 0.24 -0.89 0.21 0.00 0.00 175.17 175.52 1xl2 s THR 31 N -2.43 5.33 -0.13 -1.27 2.01 -1.26 -3.49 115.64 114.40 1xl2 s THR 31 Ca 0.32 0.41 0.00 0.00 0.31 0.00 0.00 61.69 62.73 1xl2 s THR 31 Cb -0.05 -3.58 0.02 0.00 0.01 0.00 0.00 72.50 68.90 1xl2 s THR 31 CO 0.18 0.37 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.67 1xl2 s VAL 32 N 0.66 1.41 0.07 3.82 1.01 0.07 -0.88 120.40 126.57 1xl2 s VAL 32 Ca 0.13 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.62 1xl2 s VAL 32 Cb -0.13 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 1xl2 s VAL 32 CO 0.03 0.43 -0.05 -0.76 0.00 0.00 0.00 175.10 174.75 1xl2 s LEU 33 N 1.42 3.26 0.66 3.92 1.43 0.22 -0.62 118.68 128.98 1xl2 s LEU 33 Ca 0.02 -0.23 -0.17 0.00 -1.03 0.00 0.00 54.13 52.72 1xl2 s LEU 33 Cb -0.13 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 1xl2 s LEU 33 CO -0.08 0.20 0.93 -1.84 0.23 0.00 0.00 176.35 175.80 1xl2 n GLU 34 N 0.86 0.68 -1.62 1.70 0.28 -1.26 -1.72 120.64 119.56 1xl2 n GLU 34 Ca -0.13 0.28 -0.59 0.00 -0.16 0.00 0.00 57.16 56.57 1xl2 n GLU 34 Cb 0.52 -2.16 -0.08 0.00 1.43 0.00 0.00 31.44 31.15 1xl2 n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1xl2 n GLU 35 N -1.35 0.57 -3.48 3.44 4.07 -0.93 -4.58 120.64 118.37 1xl2 n GLU 35 Ca 0.13 0.21 -0.10 0.00 -0.06 0.00 0.00 57.16 57.34 1xl2 n GLU 35 Cb 0.49 -1.79 -0.02 0.00 -0.06 0.00 0.00 31.44 30.06 1xl2 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1xl2 s MET 36 N 1.51 1.11 -0.30 5.31 0.23 -1.26 -5.02 119.30 120.88 1xl2 s MET 36 Ca 0.94 -0.43 -0.13 0.00 -1.03 0.00 0.00 55.69 55.04 1xl2 s MET 36 Cb -1.19 0.50 -0.03 0.00 -1.53 0.00 0.00 34.83 32.58 1xl2 s MET 36 CO 0.61 -0.49 0.29 -1.12 -2.03 0.00 0.00 175.02 172.28 1xl2 s SER 37 N -2.65 6.12 0.03 -1.18 0.01 -1.26 -5.03 113.70 109.74 1xl2 s SER 37 Ca 0.03 -0.05 0.06 0.00 1.31 0.00 0.00 55.95 57.31 1xl2 s SER 37 Cb -0.01 -2.16 -0.03 0.00 0.21 0.00 0.00 66.02 64.02 1xl2 s SER 37 CO -0.10 -0.18 -0.16 -0.76 0.41 0.00 0.00 173.24 172.44 1xl2 s LEU 38 N 1.90 2.69 0.74 2.44 1.43 -1.26 -5.12 118.68 121.49 1xl2 s LEU 38 Ca 0.10 -0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 52.72 1xl2 s LEU 38 Cb -0.16 -1.56 0.04 0.00 0.03 0.00 0.00 46.19 44.54 1xl2 s LEU 38 CO 0.11 0.27 1.09 -2.84 0.23 0.00 0.00 176.35 175.21 1xl2 s PRO 39 N -1.35 2.40 0.00 1.29 0.02 -1.26 -4.93 135.00 131.18 1xl2 s PRO 39 Ca 0.15 1.22 0.00 0.00 0.02 0.00 0.00 61.00 62.38 1xl2 s PRO 39 Cb -0.11 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.50 1xl2 s PRO 39 CO 0.05 -1.54 0.00 0.41 -0.33 0.00 0.00 177.00 175.59 1xl2 n GLY 40 N -1.06 -0.37 3.93 0.52 0.00 -1.26 -4.98 105.19 101.97 1xl2 n GLY 40 Ca 0.09 -1.84 -0.26 0.00 0.00 0.00 0.00 46.02 44.02 1xl2 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xl2 s ARG 41 N -1.09 2.91 0.34 1.61 0.52 -1.26 -5.09 118.95 116.89 1xl2 s ARG 41 Ca 0.00 -0.16 -0.08 0.00 -0.52 0.00 0.00 55.73 54.98 1xl2 s ARG 41 Cb 0.00 -2.34 0.02 0.00 0.52 0.00 0.00 34.95 33.14 1xl2 s ARG 41 CO 0.00 -0.62 0.56 1.67 0.02 0.00 0.00 175.30 176.93 1xl2 s TRP 42 N -2.89 0.70 -0.03 -0.53 1.48 -1.26 -4.70 118.94 111.71 1xl2 s TRP 42 Ca 0.53 -1.07 0.06 0.00 -1.06 0.00 0.00 56.10 54.56 1xl2 s TRP 42 Cb -0.10 0.21 -0.01 0.00 -1.16 0.00 0.00 33.47 32.40 1xl2 s TRP 42 CO 0.43 -1.23 -0.20 0.15 -4.06 0.00 0.00 176.95 172.04 1xl2 s LYS 43 N -3.01 1.79 0.46 3.25 1.02 -0.47 -4.92 119.74 117.85 1xl2 s LYS 43 Ca 0.25 -0.73 -0.23 0.00 0.02 0.00 0.00 55.97 55.28 1xl2 s LYS 43 Cb -0.02 -1.66 -0.07 0.00 -0.52 0.00 0.00 37.83 35.56 1xl2 s LYS 43 CO 0.16 0.39 1.19 -1.25 -0.92 0.00 0.00 175.35 174.93 1xl2 s PRO 44 N -0.34 3.75 0.08 -1.68 0.04 -1.26 -0.17 135.00 135.41 1xl2 s PRO 44 Ca 0.04 1.84 -0.16 0.00 0.04 0.00 0.00 61.00 62.77 1xl2 s PRO 44 Cb -0.09 -2.44 0.03 0.00 0.04 0.00 0.00 34.50 32.03 1xl2 s PRO 44 CO 0.00 -0.58 0.36 0.21 0.04 0.00 0.00 177.00 177.04 1xl2 s LYS 45 N -2.64 0.94 -0.08 4.56 2.20 -0.77 -4.86 119.74 119.09 1xl2 s LYS 45 Ca 0.63 -0.57 0.04 0.00 -0.36 0.00 0.00 55.97 55.72 1xl2 s LYS 45 Cb -0.30 0.41 -0.00 0.00 -1.51 0.00 0.00 37.83 36.43 1xl2 s LYS 45 CO 0.37 -0.33 -0.23 -1.64 -0.36 0.00 0.00 175.35 173.16 1xl2 s MET 46 N -3.08 2.66 0.06 4.03 -1.94 -1.26 -1.34 119.30 118.43 1xl2 s MET 46 Ca -0.01 -0.82 0.07 0.00 -1.71 0.00 0.00 55.69 53.21 1xl2 s MET 46 Cb 0.01 -2.11 -0.03 0.00 2.01 0.00 0.00 34.83 34.71 1xl2 s MET 46 CO -0.07 0.23 -0.18 0.96 -0.01 0.00 0.00 175.02 175.95 1xl2 s ILE 47 N 0.19 1.48 0.21 2.53 -4.36 -0.51 -4.95 121.20 115.79 1xl2 s ILE 47 Ca -0.13 -1.25 0.01 0.00 -0.26 0.00 0.00 60.65 59.02 1xl2 s ILE 47 Cb -0.16 -1.33 -0.05 0.00 1.25 0.00 0.00 42.46 42.18 1xl2 s ILE 47 CO 0.06 0.04 0.08 -0.83 0.24 0.00 0.00 174.94 174.53 1xl2 s GLY 48 N -1.42 1.46 0.00 6.27 0.00 -1.26 -0.54 107.32 111.82 1xl2 s GLY 48 Ca 0.05 -1.72 0.00 0.00 0.00 0.00 0.00 44.72 43.05 1xl2 s GLY 48 CO 0.02 -1.51 0.00 0.61 0.00 0.00 0.00 173.10 172.22 1xl2 n GLY 49 N -0.32 1.60 3.65 0.20 0.00 0.86 -4.98 105.19 106.20 1xl2 n GLY 49 Ca -0.02 -0.86 -0.51 0.00 0.00 0.00 0.00 46.02 44.63 1xl2 n GLY 49 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1xl2 n ILE 50 N 0.00 0.15 0.00 -0.61 3.06 -1.26 -0.08 119.36 120.63 1xl2 n ILE 50 Ca 0.00 -0.03 0.00 0.00 -2.50 0.00 0.00 62.75 60.22 1xl2 n ILE 50 Cb 0.00 -1.24 0.00 0.00 0.54 0.00 0.00 39.64 38.94 1xl2 n ILE 50 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1xl2 n GLY 51 N 3.38 3.10 0.00 4.50 0.00 -1.26 -4.97 105.19 109.94 1xl2 n GLY 51 Ca 0.20 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1xl2 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xl2 n GLY 52 N 0.00 0.71 3.22 -0.02 0.00 0.89 -5.14 105.19 104.86 1xl2 n GLY 52 Ca 0.00 -1.58 -0.18 0.00 0.00 0.00 0.00 46.02 44.26 1xl2 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xl2 s PHE 53 N -3.97 1.33 0.11 1.61 0.40 -1.26 -0.10 117.98 116.09 1xl2 s PHE 53 Ca 0.00 -0.55 0.06 0.00 -0.60 0.00 0.00 56.93 55.83 1xl2 s PHE 53 Cb 0.00 -0.71 -0.03 0.00 0.51 0.00 0.00 43.02 42.79 1xl2 s PHE 53 CO 0.00 0.11 -0.14 0.96 0.70 0.00 0.00 175.22 176.85 1xl2 s ILE 54 N -2.05 1.27 0.03 0.64 -4.36 0.30 -4.95 121.20 112.06 1xl2 s ILE 54 Ca 0.07 -1.59 -0.27 0.00 -0.26 0.00 0.00 60.65 58.60 1xl2 s ILE 54 Cb -0.05 -1.40 -0.05 0.00 1.25 0.00 0.00 42.46 42.21 1xl2 s ILE 54 CO 0.02 -0.35 0.86 -0.75 0.24 0.00 0.00 174.94 174.96 1xl2 s LYS 55 N -2.38 4.55 0.21 0.37 2.20 -1.26 -1.43 119.74 122.00 1xl2 s LYS 55 Ca 0.06 1.21 0.03 0.00 -0.36 0.00 0.00 55.97 56.91 1xl2 s LYS 55 Cb -0.06 -3.41 -0.05 0.00 -1.51 0.00 0.00 37.83 32.80 1xl2 s LYS 55 CO 0.03 0.14 0.01 0.14 -0.36 0.00 0.00 175.35 175.30 1xl2 s VAL 56 N 0.39 0.84 -0.21 4.02 -7.23 -0.45 -4.50 120.40 113.27 1xl2 s VAL 56 Ca 0.44 -2.01 -0.07 0.00 -1.81 0.00 0.00 61.98 58.53 1xl2 s VAL 56 Cb -0.21 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 1xl2 s VAL 56 CO 0.25 -0.37 0.06 -0.13 -0.31 0.00 0.00 175.10 174.60 1xl2 s ARG 57 N -3.90 3.82 -0.33 4.82 0.52 0.79 -1.84 118.95 122.84 1xl2 s ARG 57 Ca 0.27 -0.41 -0.20 0.00 -0.52 0.00 0.00 55.73 54.87 1xl2 s ARG 57 Cb 0.06 -3.23 -0.00 0.00 0.52 0.00 0.00 34.95 32.29 1xl2 s ARG 57 CO 0.07 0.09 0.60 -1.14 0.02 0.00 0.00 175.30 174.94 1xl2 s GLN 58 N 0.86 3.77 -0.09 3.54 0.74 0.76 -0.83 119.66 128.41 1xl2 s GLN 58 Ca 0.03 0.11 -0.01 0.00 0.05 0.00 0.00 55.36 55.54 1xl2 s GLN 58 Cb -0.14 -3.77 -0.03 0.00 1.10 0.00 0.00 33.01 30.17 1xl2 s GLN 58 CO 0.02 -0.63 -0.03 0.71 -0.55 0.00 0.00 175.29 174.81 1xl2 s TYR 59 N 2.58 3.06 0.23 1.67 1.51 0.39 -1.36 117.35 125.43 1xl2 s TYR 59 Ca 0.23 0.06 0.06 0.00 -1.01 0.00 0.00 57.07 56.42 1xl2 s TYR 59 Cb -0.15 -1.79 -0.03 0.00 -0.11 0.00 0.00 41.96 39.88 1xl2 s TYR 59 CO 0.13 0.35 0.22 -0.51 -1.11 0.00 0.00 175.55 174.63 1xl2 s ASP 60 N -0.68 5.74 -1.28 2.29 1.01 -1.26 -0.93 116.67 121.57 1xl2 s ASP 60 Ca 0.10 -0.13 -0.06 0.00 0.71 0.00 0.00 52.55 53.17 1xl2 s ASP 60 Cb -0.12 -1.54 -0.01 0.00 1.01 0.00 0.00 42.92 42.27 1xl2 s ASP 60 CO 0.02 -0.02 0.65 0.00 0.21 0.00 0.00 175.17 176.03 1xl2 n GLN 61 N -1.02 -3.25 -3.89 8.23 1.13 -1.18 -4.92 117.38 112.47 1xl2 n GLN 61 Ca -0.08 0.52 -0.35 0.00 -1.94 0.00 0.00 57.00 55.15 1xl2 n GLN 61 Cb 0.57 -4.71 -0.09 0.00 0.11 0.00 0.00 30.24 26.13 1xl2 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1xl2 s ILE 62 N -3.69 5.10 -0.14 5.09 -1.09 -0.24 -4.74 121.20 121.48 1xl2 s ILE 62 Ca 0.15 0.07 -0.23 0.00 -2.23 0.00 0.00 60.65 58.42 1xl2 s ILE 62 Cb -0.05 -3.30 -0.02 0.00 -1.58 0.00 0.00 42.46 37.51 1xl2 s ILE 62 CO 0.85 0.47 0.73 -0.22 -1.23 0.00 0.00 174.94 175.54 1xl2 s LEU 63 N 0.18 4.21 -0.11 2.97 2.96 -1.26 -1.56 118.68 126.07 1xl2 s LEU 63 Ca 0.07 1.08 0.02 0.00 -0.22 0.00 0.00 54.13 55.07 1xl2 s LEU 63 Cb -0.12 -3.09 0.02 0.00 0.50 0.00 0.00 46.19 43.50 1xl2 s LEU 63 CO -0.00 -0.27 -0.14 -0.63 -1.32 0.00 0.00 176.35 173.98 1xl2 s ILE 64 N 1.65 1.43 -0.24 6.68 1.01 0.31 -4.56 121.20 127.48 1xl2 s ILE 64 Ca 0.35 -0.60 -0.12 0.00 0.00 0.00 0.00 60.65 60.28 1xl2 s ILE 64 Cb -0.17 -1.32 -0.05 0.00 0.01 0.00 0.00 42.46 40.94 1xl2 s ILE 64 CO 0.14 0.43 0.25 -0.70 0.00 0.00 0.00 174.94 175.05 1xl2 s GLU 65 N 1.01 4.07 -0.29 2.79 2.12 -0.24 -1.13 118.70 127.02 1xl2 s GLU 65 Ca -0.06 -0.13 -0.00 0.00 0.36 0.00 0.00 54.97 55.13 1xl2 s GLU 65 Cb -0.15 -3.57 0.06 0.00 0.26 0.00 0.00 34.13 30.73 1xl2 s GLU 65 CO -0.02 -0.05 -0.02 0.42 -0.54 0.00 0.00 175.26 175.06 1xl2 s ILE 66 N 1.37 2.73 -1.44 -3.70 1.01 0.36 -1.18 121.20 120.35 1xl2 s ILE 66 Ca 0.11 -1.53 -0.03 0.00 0.00 0.00 0.00 60.65 59.20 1xl2 s ILE 66 Cb -0.14 -2.61 0.00 0.00 0.01 0.00 0.00 42.46 39.72 1xl2 s ILE 66 CO 0.07 -0.13 0.29 0.00 0.00 0.00 0.00 174.94 175.17 1xl2 n GLY 68 N -2.21 0.81 3.61 0.00 0.00 -1.26 -5.02 105.19 101.12 1xl2 n GLY 68 Ca -0.30 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 1xl2 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xl2 s HIS 69 N -3.35 3.25 -0.33 1.61 4.02 0.01 -5.05 115.29 115.45 1xl2 s HIS 69 Ca 0.00 0.10 -0.20 0.00 1.02 0.00 0.00 55.06 55.97 1xl2 s HIS 69 Cb 0.00 -2.28 -0.00 0.00 -1.02 0.00 0.00 32.58 29.28 1xl2 s HIS 69 CO 0.00 -0.05 0.63 0.15 1.02 0.00 0.00 174.74 176.50 1xl2 s LYS 70 N 1.28 3.77 -0.04 1.40 1.02 -1.26 -0.49 119.74 125.43 1xl2 s LYS 70 Ca 0.07 0.16 0.01 0.00 0.02 0.00 0.00 55.97 56.22 1xl2 s LYS 70 Cb -0.14 -3.77 -0.03 0.00 -0.52 0.00 0.00 37.83 33.36 1xl2 s LYS 70 CO 0.06 -0.67 -0.02 0.00 -0.92 0.00 0.00 175.35 173.80 1xl2 s ALA 71 N 2.67 3.18 -0.07 5.17 0.00 -0.28 -4.91 121.76 127.52 1xl2 s ALA 71 Ca 0.25 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.30 1xl2 s ALA 71 Cb -0.15 -1.32 0.02 0.00 0.00 0.00 0.00 23.12 21.68 1xl2 s ALA 71 CO 0.14 0.61 -0.07 0.42 0.00 0.00 0.00 175.76 176.85 1xl2 s ILE 72 N -0.97 0.85 -0.42 0.00 1.01 -1.26 -0.53 121.20 119.89 1xl2 s ILE 72 Ca 0.16 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.55 1xl2 s ILE 72 Cb -0.11 -0.85 0.00 0.00 0.01 0.00 0.00 42.46 41.51 1xl2 s ILE 72 CO 0.06 0.31 0.00 0.61 0.00 0.00 0.00 174.94 175.92 1xl2 n GLY 73 N 4.32 -0.83 3.72 6.18 0.00 -0.60 -4.84 105.19 113.14 1xl2 n GLY 73 Ca -0.19 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 1xl2 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xl2 s THR 74 N -3.00 3.85 0.04 2.61 2.01 -1.26 -1.07 115.64 118.81 1xl2 s THR 74 Ca 0.00 1.40 0.07 0.00 0.31 0.00 0.00 61.69 63.46 1xl2 s THR 74 Cb 0.00 -3.89 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 1xl2 s THR 74 CO 0.00 0.15 -0.19 0.68 -0.69 0.00 0.00 174.62 174.56 1xl2 s VAL 75 N 0.70 1.56 -0.15 3.82 -7.23 -0.10 -4.42 120.40 114.57 1xl2 s VAL 75 Ca 0.57 -1.15 -0.04 0.00 -1.81 0.00 0.00 61.98 59.55 1xl2 s VAL 75 Cb -0.31 -1.36 -0.03 0.00 0.56 0.00 0.00 36.38 35.24 1xl2 s VAL 75 CO 0.31 0.17 -0.03 -0.76 -0.31 0.00 0.00 175.10 174.49 1xl2 s LEU 76 N -1.15 3.32 -0.14 1.32 1.43 -0.05 -0.46 118.68 122.94 1xl2 s LEU 76 Ca 0.06 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 1xl2 s LEU 76 Cb -0.09 -1.80 -0.00 0.00 0.03 0.00 0.00 46.19 44.34 1xl2 s LEU 76 CO 0.02 0.19 -0.16 -0.69 0.23 0.00 0.00 176.35 175.94 1xl2 s VAL 77 N 0.21 2.63 0.03 -1.59 1.01 -0.01 0.72 120.40 123.39 1xl2 s VAL 77 Ca -0.02 -0.79 -0.18 0.00 0.00 0.00 0.00 61.98 61.00 1xl2 s VAL 77 Cb -0.14 -2.09 0.06 0.00 0.00 0.00 0.00 36.38 34.21 1xl2 s VAL 77 CO 0.03 0.52 0.80 0.61 0.00 0.00 0.00 175.10 177.06 1xl2 n GLY 78 N 3.91 0.49 3.28 4.51 0.00 -0.70 -0.14 105.19 116.54 1xl2 n GLY 78 Ca -0.19 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.40 1xl2 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xl2 n PRO 79 N -0.58 3.10 -4.25 1.61 -0.04 -1.26 -2.20 135.00 131.38 1xl2 n PRO 79 Ca 0.02 -3.09 -0.33 0.00 -0.04 0.00 0.00 63.50 60.06 1xl2 n PRO 79 Cb 0.39 -3.40 -0.08 0.00 -0.04 0.00 0.00 33.50 30.36 1xl2 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1xl2 s THR 80 N 3.68 4.33 0.08 0.52 -1.32 -1.26 -4.99 115.64 116.68 1xl2 s THR 80 Ca 0.51 -0.48 0.29 0.00 -1.21 0.00 0.00 61.69 60.79 1xl2 s THR 80 Cb 0.07 -2.92 0.32 0.00 -1.51 0.00 0.00 72.50 68.46 1xl2 s THR 80 CO 0.02 0.42 1.89 1.55 -2.21 0.00 0.00 174.62 176.28 1xl2 h PRO 81 N 4.44 0.00 -4.59 7.08 0.13 -1.98 -3.41 132.00 133.67 1xl2 h PRO 81 Ca -0.49 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.20 1xl2 h PRO 81 Cb 1.18 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.00 1xl2 h PRO 81 CO 0.58 0.10 -0.79 0.08 -0.23 0.00 0.00 178.00 177.74 1xl2 s VAL 82 N -3.63 0.81 -0.01 1.56 1.01 -1.26 -5.04 120.40 113.85 1xl2 s VAL 82 Ca 0.01 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.32 1xl2 s VAL 82 Cb 0.09 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.69 1xl2 s VAL 82 CO 0.59 0.26 1.42 0.20 0.00 0.00 0.00 175.10 177.57 1xl2 s ASN 83 N 0.24 6.84 -0.20 3.32 0.01 -1.26 -4.61 114.94 119.27 1xl2 s ASN 83 Ca -0.04 2.12 0.01 0.00 -0.71 0.00 0.00 52.86 54.23 1xl2 s ASN 83 Cb -0.09 -2.56 0.03 0.00 0.41 0.00 0.00 41.25 39.03 1xl2 s ASN 83 CO 0.01 -0.74 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.07 1xl2 s ILE 84 N 2.53 2.27 -0.43 0.60 1.01 0.21 0.01 121.20 127.40 1xl2 s ILE 84 Ca 0.64 -1.03 -0.19 0.00 0.00 0.00 0.00 60.65 60.07 1xl2 s ILE 84 Cb -0.31 -2.04 0.02 0.00 0.01 0.00 0.00 42.46 40.13 1xl2 s ILE 84 CO 0.26 0.40 0.53 -0.63 0.00 0.00 0.00 174.94 175.51 1xl2 s ILE 85 N 1.28 4.97 0.68 2.92 -1.09 0.28 -0.75 121.20 129.49 1xl2 s ILE 85 Ca 0.02 -0.11 0.02 0.00 -2.23 0.00 0.00 60.65 58.36 1xl2 s ILE 85 Cb -0.15 -4.11 0.12 0.00 -1.58 0.00 0.00 42.46 36.74 1xl2 s ILE 85 CO -0.10 -0.49 0.94 -0.83 -1.23 0.00 0.00 174.94 173.22 1xl2 s GLY 86 N 1.89 1.75 0.57 6.18 0.00 -1.23 -0.82 107.32 115.67 1xl2 s GLY 86 Ca 0.17 -1.86 0.29 0.00 0.00 0.00 0.00 44.72 43.32 1xl2 s GLY 86 CO 0.16 -1.32 2.21 3.21 0.00 0.00 0.00 173.10 177.36 1xl2 h ARG 87 N -0.33 0.00 0.00 2.90 3.08 -0.79 -1.28 114.38 117.96 1xl2 h ARG 87 Ca -0.34 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.69 1xl2 h ARG 87 Cb 1.27 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.32 1xl2 h ARG 87 CO 0.40 0.03 -0.09 -2.95 -1.07 0.00 0.00 179.97 176.30 1xl2 h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.79 -2.00 115.58 117.77 1xl2 h ASN 88 Ca -0.00 0.00 -0.22 0.00 0.07 0.00 0.00 56.30 56.15 1xl2 h ASN 88 Cb 0.09 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.30 1xl2 h ASN 88 CO 0.00 0.09 -2.16 0.18 0.07 0.00 0.00 177.43 175.61 1xl2 n LEU 89 N -4.41 0.00 0.00 6.14 4.77 -0.69 -4.40 117.00 118.41 1xl2 n LEU 89 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1xl2 n LEU 89 Cb 0.16 0.30 0.31 0.00 -2.33 0.00 0.00 43.42 41.87 1xl2 n LEU 89 CO 0.35 0.30 0.96 -0.07 -1.33 0.00 0.00 177.39 177.60 1xl2 h LEU 90 N 0.00 0.48 -1.22 2.23 3.38 -0.99 -1.95 115.31 117.23 1xl2 h LEU 90 Ca -0.33 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.51 1xl2 h LEU 90 Cb 1.72 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.33 1xl2 h LEU 90 CO 0.02 0.53 -0.03 0.71 0.09 0.00 0.00 178.44 179.76 1xl2 h THR 91 N 0.50 1.20 -0.04 0.22 1.35 -1.58 -2.17 112.91 112.39 1xl2 h THR 91 Ca 0.11 -0.82 -0.08 0.00 -0.55 0.00 0.00 66.41 65.07 1xl2 h THR 91 Cb 0.29 1.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.70 1xl2 h THR 91 CO 0.01 0.28 -0.36 1.56 -0.25 0.00 0.00 175.52 176.75 1xl2 h GLN 92 N 0.47 0.08 -0.10 4.72 4.20 -1.56 -2.17 115.11 120.75 1xl2 h GLN 92 Ca 0.10 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1xl2 h GLN 92 Cb 0.36 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1xl2 h GLN 92 CO 0.01 0.44 0.00 0.44 -0.67 0.00 0.00 178.83 179.05 1xl2 n ILE 93 N -4.09 0.12 -0.74 2.54 -5.35 -1.14 -4.93 119.36 105.76 1xl2 n ILE 93 Ca -0.02 -0.34 0.00 0.00 -0.27 0.00 0.00 62.75 62.13 1xl2 n ILE 93 Cb 0.41 0.54 0.00 0.00 -1.74 0.00 0.00 39.64 38.86 1xl2 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xl2 n GLY 94 N 1.19 0.58 3.70 3.28 0.00 -0.82 -5.02 105.19 108.11 1xl2 n GLY 94 Ca 0.17 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 1xl2 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xl2 s THR 96 N 1.51 1.88 -0.17 0.00 -4.23 -1.26 -4.68 115.64 108.69 1xl2 s THR 96 Ca 0.59 -2.18 -0.08 0.00 -1.18 0.00 0.00 61.69 58.84 1xl2 s THR 96 Cb -0.29 -2.44 -0.04 0.00 1.34 0.00 0.00 72.50 71.07 1xl2 s THR 96 CO 0.27 -0.32 0.11 -0.76 -0.54 0.00 0.00 174.62 173.39 1xl2 s LEU 97 N -3.48 4.15 -0.02 4.79 1.43 -1.26 -5.10 118.68 119.19 1xl2 s LEU 97 Ca 0.29 0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.67 1xl2 s LEU 97 Cb 0.02 -2.05 0.02 0.00 0.03 0.00 0.00 46.19 44.21 1xl2 s LEU 97 CO 0.13 0.25 -0.02 0.20 0.23 0.00 0.00 176.35 177.14 1xl2 s ASN 98 N -0.10 0.51 0.00 2.29 -0.87 -1.26 -5.31 114.94 110.21 1xl2 s ASN 98 Ca 0.09 -0.06 0.00 0.00 -1.57 0.00 0.00 52.86 51.32 1xl2 s ASN 98 Cb -0.12 -0.20 0.00 0.00 -0.02 0.00 0.00 41.25 40.91 1xl2 s ASN 98 CO 0.00 -0.04 0.00 2.22 -2.57 0.00 0.00 177.10 176.71