#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xl5 s GLN 2 N 0.00 3.56 -0.23 0.54 0.74 -1.26 -5.09 119.66 117.92 1xl5 s GLN 2 Ca 0.00 -0.55 -0.05 0.00 0.05 0.00 0.00 55.36 54.81 1xl5 s GLN 2 Cb 0.00 -3.04 -0.02 0.00 1.10 0.00 0.00 33.01 31.05 1xl5 s GLN 2 CO 0.00 -0.01 0.01 0.42 -0.55 0.00 0.00 175.29 175.15 1xl5 s ILE 3 N 1.05 3.80 0.71 -2.34 1.01 -1.26 -5.10 121.20 119.07 1xl5 s ILE 3 Ca 0.02 -0.35 -0.14 0.00 0.00 0.00 0.00 60.65 60.18 1xl5 s ILE 3 Cb -0.14 -2.75 0.03 0.00 0.01 0.00 0.00 42.46 39.60 1xl5 s ILE 3 CO 0.01 0.39 1.12 0.28 0.00 0.00 0.00 174.94 176.74 1xl5 s THR 4 N 1.51 3.04 -0.38 2.92 -1.32 -1.26 -4.99 115.64 115.16 1xl5 s THR 4 Ca 0.06 0.45 0.13 0.00 -1.21 0.00 0.00 61.69 61.12 1xl5 s THR 4 Cb -0.15 -2.94 0.35 0.00 -1.51 0.00 0.00 72.50 68.26 1xl5 s THR 4 CO -0.00 -0.33 1.27 0.18 -2.21 0.00 0.00 174.62 173.53 1xl5 n LEU 5 N -2.79 3.10 0.25 9.08 4.77 -1.26 -4.54 117.00 125.62 1xl5 n LEU 5 Ca 0.11 -2.58 0.07 0.00 -0.03 0.00 0.00 56.01 53.58 1xl5 n LEU 5 Cb 0.52 -0.36 0.61 0.00 -2.33 0.00 0.00 43.42 41.86 1xl5 n LEU 5 CO 0.49 0.67 1.03 -0.50 -1.33 0.00 0.00 177.39 177.75 1xl5 h TRP 6 N 1.35 0.00 -2.58 -1.77 4.06 -2.06 -3.43 115.95 111.52 1xl5 h TRP 6 Ca 0.00 0.00 -0.51 0.00 2.06 0.00 0.00 58.89 60.44 1xl5 h TRP 6 Cb 1.03 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.05 1xl5 h TRP 6 CO 0.27 0.04 -0.72 -0.65 -3.56 0.00 0.00 178.44 173.82 1xl5 s GLN 7 N -4.97 1.51 0.21 0.49 1.11 -1.26 -5.10 119.66 111.65 1xl5 s GLN 7 Ca -0.05 -1.71 -0.32 0.00 0.01 0.00 0.00 55.36 53.29 1xl5 s GLN 7 Cb 0.17 -1.34 -0.13 0.00 -1.01 0.00 0.00 33.01 30.70 1xl5 s GLN 7 CO 0.68 0.18 1.51 0.54 0.01 0.00 0.00 175.29 178.21 1xl5 n ARG 8 N -0.52 2.18 -2.25 2.91 1.74 -1.26 -4.85 116.66 114.61 1xl5 n ARG 8 Ca -0.06 0.78 -0.42 0.00 -0.77 0.00 0.00 57.85 57.38 1xl5 n ARG 8 Cb 0.61 -2.51 -0.00 0.00 -1.02 0.00 0.00 32.46 29.54 1xl5 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1xl5 n PRO 9 N 2.73 2.97 -3.29 5.56 -0.04 -1.26 -4.94 135.00 136.72 1xl5 n PRO 9 Ca 0.14 -2.99 -0.39 0.00 -0.04 0.00 0.00 63.50 60.22 1xl5 n PRO 9 Cb 0.31 -3.43 -0.06 0.00 -0.04 0.00 0.00 33.50 30.28 1xl5 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xl5 s LEU 10 N 3.82 4.46 0.09 1.53 1.43 -1.26 -1.28 118.68 127.47 1xl5 s LEU 10 Ca 0.53 1.14 0.01 0.00 -1.03 0.00 0.00 54.13 54.78 1xl5 s LEU 10 Cb 0.07 -2.84 -0.04 0.00 0.03 0.00 0.00 46.19 43.41 1xl5 s LEU 10 CO 0.03 0.20 -0.05 0.68 0.23 0.00 0.00 176.35 177.44 1xl5 s VAL 11 N -0.65 0.52 0.01 -1.59 -7.23 -0.15 -4.93 120.40 106.38 1xl5 s VAL 11 Ca 0.29 -1.90 -0.26 0.00 -1.81 0.00 0.00 61.98 58.30 1xl5 s VAL 11 Cb -0.18 -1.66 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 1xl5 s VAL 11 CO 0.17 -0.88 0.81 -0.89 -0.31 0.00 0.00 175.10 173.99 1xl5 s THR 12 N -3.73 4.83 0.31 5.32 2.01 -1.26 -0.33 115.64 122.78 1xl5 s THR 12 Ca 0.11 1.70 0.09 0.00 0.31 0.00 0.00 61.69 63.91 1xl5 s THR 12 Cb 0.06 -4.15 -0.06 0.00 0.01 0.00 0.00 72.50 68.36 1xl5 s THR 12 CO -0.06 0.28 -0.12 0.27 -0.69 0.00 0.00 174.62 174.31 1xl5 s ILE 13 N 0.42 2.14 -0.09 1.82 -4.36 0.13 -2.49 121.20 118.77 1xl5 s ILE 13 Ca 0.42 -2.24 0.01 0.00 -0.26 0.00 0.00 60.65 58.58 1xl5 s ILE 13 Cb -0.20 -2.48 0.02 0.00 1.25 0.00 0.00 42.46 41.05 1xl5 s ILE 13 CO 0.23 -0.30 -0.12 -0.75 0.24 0.00 0.00 174.94 174.25 1xl5 s LYS 14 N -3.61 1.75 -0.13 0.37 2.20 0.61 -1.18 119.74 119.75 1xl5 s LYS 14 Ca 0.31 -0.40 -0.10 0.00 -0.36 0.00 0.00 55.97 55.42 1xl5 s LYS 14 Cb 0.01 -1.55 0.04 0.00 -1.51 0.00 0.00 37.83 34.82 1xl5 s LYS 14 CO 0.14 -0.07 0.34 -1.50 -0.36 0.00 0.00 175.35 173.90 1xl5 s ILE 15 N 1.01 -0.01 -1.63 5.43 2.07 -0.31 -1.56 121.20 126.19 1xl5 s ILE 15 Ca -0.08 0.05 -0.02 0.00 -1.41 0.00 0.00 60.65 59.19 1xl5 s ILE 15 Cb -0.15 -0.49 0.01 0.00 0.13 0.00 0.00 42.46 41.96 1xl5 s ILE 15 CO -0.01 0.02 0.25 0.61 -1.91 0.00 0.00 174.94 173.91 1xl5 n GLY 16 N 3.48 -0.51 3.53 1.50 0.00 -1.26 0.17 105.19 112.09 1xl5 n GLY 16 Ca -0.18 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1xl5 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xl5 n GLY 17 N -1.20 1.10 3.86 -0.02 0.00 -1.26 -5.00 105.19 102.66 1xl5 n GLY 17 Ca -0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 1xl5 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xl5 s GLN 18 N -0.23 3.72 -0.11 1.61 -0.21 0.13 -5.08 119.66 119.49 1xl5 s GLN 18 Ca 0.00 0.18 -0.17 0.00 0.02 0.00 0.00 55.36 55.39 1xl5 s GLN 18 Cb 0.00 -3.18 -0.04 0.00 1.00 0.00 0.00 33.01 30.78 1xl5 s GLN 18 CO 0.00 0.71 0.44 -0.51 -2.12 0.00 0.00 175.29 173.80 1xl5 s LEU 19 N -1.18 4.29 0.11 2.90 1.43 -1.26 -1.16 118.68 123.81 1xl5 s LEU 19 Ca 0.22 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 54.10 1xl5 s LEU 19 Cb -0.15 -2.62 -0.04 0.00 0.03 0.00 0.00 46.19 43.41 1xl5 s LEU 19 CO 0.11 0.05 -0.02 -0.54 0.23 0.00 0.00 176.35 176.19 1xl5 s LYS 20 N 0.41 0.84 -0.11 1.70 1.02 -0.32 -4.98 119.74 118.30 1xl5 s LYS 20 Ca 0.24 -1.36 -0.06 0.00 0.02 0.00 0.00 55.97 54.81 1xl5 s LYS 20 Cb -0.15 0.00 -0.04 0.00 -0.52 0.00 0.00 37.83 37.12 1xl5 s LYS 20 CO 0.09 -0.12 0.10 -2.00 -0.92 0.00 0.00 175.35 172.50 1xl5 s GLU 21 N -3.92 3.35 0.03 1.68 2.12 -1.26 -0.70 118.70 120.00 1xl5 s GLU 21 Ca 0.15 -0.22 -0.10 0.00 0.36 0.00 0.00 54.97 55.16 1xl5 s GLU 21 Cb 0.07 -3.08 0.01 0.00 0.26 0.00 0.00 34.13 31.38 1xl5 s GLU 21 CO -0.03 0.73 0.21 0.00 -0.54 0.00 0.00 175.26 175.63 1xl5 s ALA 22 N -0.90 -0.44 -0.15 6.30 0.00 0.55 -4.50 121.76 122.62 1xl5 s ALA 22 Ca 0.14 -0.18 -0.19 0.00 0.00 0.00 0.00 51.96 51.73 1xl5 s ALA 22 Cb -0.12 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 1xl5 s ALA 22 CO 0.03 -0.35 0.53 -1.17 0.00 0.00 0.00 175.76 174.81 1xl5 s LEU 23 N -1.96 4.21 -0.45 0.00 2.96 0.51 -0.97 118.68 122.99 1xl5 s LEU 23 Ca -0.07 0.80 -0.29 0.00 -0.22 0.00 0.00 54.13 54.35 1xl5 s LEU 23 Cb -0.02 -2.76 0.02 0.00 0.50 0.00 0.00 46.19 43.93 1xl5 s LEU 23 CO -0.03 -0.11 1.26 -0.76 -1.32 0.00 0.00 176.35 175.39 1xl5 s LEU 24 N 1.19 3.61 -0.36 -0.68 1.43 -0.40 -0.70 118.68 122.77 1xl5 s LEU 24 Ca 0.27 0.63 0.03 0.00 -1.03 0.00 0.00 54.13 54.03 1xl5 s LEU 24 Cb -0.16 -3.55 0.11 0.00 0.03 0.00 0.00 46.19 42.62 1xl5 s LEU 24 CO 0.11 -1.33 0.09 -0.62 0.23 0.00 0.00 176.35 174.83 1xl5 s ASP 25 N 3.12 4.52 0.46 2.29 -1.08 0.35 -4.81 116.67 121.51 1xl5 s ASP 25 Ca 0.54 -2.18 0.31 0.00 -0.52 0.00 0.00 52.55 50.70 1xl5 s ASP 25 Cb -0.10 -1.46 1.37 0.00 -1.46 0.00 0.00 42.92 41.27 1xl5 s ASP 25 CO 0.32 -0.36 1.92 0.71 0.52 0.00 0.00 175.17 178.28 1xl5 h THR 26 N 6.39 0.00 0.00 1.71 1.35 -1.94 -1.70 112.91 118.72 1xl5 h THR 26 Ca -0.06 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1xl5 h THR 26 Cb 1.00 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 1xl5 h THR 26 CO 0.53 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 1xl5 n GLY 27 N -0.21 -1.64 3.69 5.82 0.00 -1.26 -4.80 105.19 106.79 1xl5 n GLY 27 Ca 0.00 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1xl5 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xl5 s ALA 28 N -3.14 3.55 0.28 4.61 0.00 -0.64 -4.96 121.76 121.46 1xl5 s ALA 28 Ca 0.09 -0.44 0.06 0.00 0.00 0.00 0.00 51.96 51.67 1xl5 s ALA 28 Cb 0.12 -2.60 0.41 0.00 0.00 0.00 0.00 23.12 21.05 1xl5 s ALA 28 CO 0.56 -0.17 1.68 -0.44 0.00 0.00 0.00 175.76 177.38 1xl5 h ASP 29 N 7.12 0.27 -4.26 0.00 3.32 -1.87 -0.05 116.42 120.95 1xl5 h ASP 29 Ca -0.38 -0.12 -0.32 0.00 0.02 0.00 0.00 57.03 56.24 1xl5 h ASP 29 Cb 1.17 -0.08 -0.15 0.00 0.22 0.00 0.00 39.33 40.49 1xl5 h ASP 29 CO 0.73 0.68 -0.67 -1.81 -1.72 0.00 0.00 179.24 176.45 1xl5 s ASP 30 N -6.88 1.47 -0.06 6.45 1.01 -1.26 -2.76 116.67 114.63 1xl5 s ASP 30 Ca -0.05 -1.15 -0.23 0.00 0.71 0.00 0.00 52.55 51.83 1xl5 s ASP 30 Cb 0.13 0.07 -0.04 0.00 1.01 0.00 0.00 42.92 44.09 1xl5 s ASP 30 CO 0.78 -0.51 0.68 -0.89 0.21 0.00 0.00 175.17 175.43 1xl5 s THR 31 N -3.54 5.04 -0.03 -1.27 2.01 -1.26 -3.72 115.64 112.86 1xl5 s THR 31 Ca 0.23 1.39 0.00 0.00 0.31 0.00 0.00 61.69 63.63 1xl5 s THR 31 Cb 0.05 -4.02 0.03 0.00 0.01 0.00 0.00 72.50 68.57 1xl5 s THR 31 CO 0.04 0.27 0.00 0.54 -0.69 0.00 0.00 174.62 174.79 1xl5 s VAL 32 N 0.68 0.19 0.15 3.82 0.11 -0.24 -0.69 120.40 124.43 1xl5 s VAL 32 Ca 0.36 0.09 0.09 0.00 -2.93 0.00 0.00 61.98 59.60 1xl5 s VAL 32 Cb -0.18 -0.29 -0.04 0.00 -1.53 0.00 0.00 36.38 34.34 1xl5 s VAL 32 CO 0.18 0.16 -0.15 -0.76 -3.33 0.00 0.00 175.10 171.19 1xl5 s LEU 33 N 1.12 2.79 0.91 2.54 1.43 0.32 -1.26 118.68 126.54 1xl5 s LEU 33 Ca -0.08 -0.60 -0.13 0.00 -1.03 0.00 0.00 54.13 52.29 1xl5 s LEU 33 Cb -0.13 -1.55 0.05 0.00 0.03 0.00 0.00 46.19 44.59 1xl5 s LEU 33 CO -0.02 0.14 0.63 -0.62 0.23 0.00 0.00 176.35 176.71 1xl5 n GLU 34 N 0.40 -0.22 -1.60 1.70 1.02 -1.26 -1.54 120.64 119.14 1xl5 n GLU 34 Ca -0.13 -0.01 -0.53 0.00 -0.02 0.00 0.00 57.16 56.47 1xl5 n GLU 34 Cb 0.54 -2.01 -0.06 0.00 -0.02 0.00 0.00 31.44 29.90 1xl5 n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1xl5 n GLU 35 N -2.23 1.12 -3.60 3.49 -0.58 -1.22 -4.55 120.64 113.06 1xl5 n GLU 35 Ca 0.09 0.40 -0.08 0.00 -0.42 0.00 0.00 57.16 57.15 1xl5 n GLU 35 Cb 0.53 -2.05 -0.02 0.00 -0.57 0.00 0.00 31.44 29.33 1xl5 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xl5 s MET 36 N 0.86 1.23 0.16 3.49 0.23 -1.26 -5.03 119.30 118.99 1xl5 s MET 36 Ca 0.86 -0.56 -0.19 0.00 -1.03 0.00 0.00 55.69 54.77 1xl5 s MET 36 Cb -0.98 0.50 -0.08 0.00 -1.53 0.00 0.00 34.83 32.74 1xl5 s MET 36 CO 0.49 -0.55 0.66 -1.12 -2.03 0.00 0.00 175.02 172.47 1xl5 s SER 37 N -2.75 7.06 0.03 -1.18 0.01 -1.26 -5.01 113.70 110.59 1xl5 s SER 37 Ca 0.06 1.34 0.00 0.00 1.31 0.00 0.00 55.95 58.67 1xl5 s SER 37 Cb -0.02 -2.39 -0.02 0.00 0.21 0.00 0.00 66.02 63.80 1xl5 s SER 37 CO -0.05 0.13 -0.03 -0.76 0.41 0.00 0.00 173.24 172.94 1xl5 s LEU 38 N -1.65 2.27 0.44 2.44 1.43 -1.26 -4.98 118.68 117.38 1xl5 s LEU 38 Ca 0.38 -0.57 -0.24 0.00 -1.03 0.00 0.00 54.13 52.67 1xl5 s LEU 38 Cb -0.18 0.08 -0.08 0.00 0.03 0.00 0.00 46.19 46.05 1xl5 s LEU 38 CO 0.21 -0.33 1.24 -2.16 0.23 0.00 0.00 176.35 175.54 1xl5 s PRO 39 N -1.77 3.80 0.01 1.29 0.04 -1.26 -4.95 135.00 132.16 1xl5 s PRO 39 Ca -0.13 1.99 0.00 0.00 0.04 0.00 0.00 61.00 62.90 1xl5 s PRO 39 Cb -0.08 -2.56 0.00 0.00 0.04 0.00 0.00 34.50 31.90 1xl5 s PRO 39 CO -0.02 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 176.85 1xl5 n GLY 40 N 0.60 -1.72 3.83 0.56 0.00 -1.26 -4.95 105.19 102.25 1xl5 n GLY 40 Ca 0.06 -2.05 -0.31 0.00 0.00 0.00 0.00 46.02 43.72 1xl5 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xl5 s ARG 41 N 0.00 3.19 0.16 1.61 0.52 -1.26 -5.08 118.95 118.09 1xl5 s ARG 41 Ca 0.00 0.94 -0.15 0.00 -0.52 0.00 0.00 55.73 56.00 1xl5 s ARG 41 Cb 0.00 -2.02 0.02 0.00 0.52 0.00 0.00 34.95 33.47 1xl5 s ARG 41 CO 0.00 -0.89 0.43 1.67 0.02 0.00 0.00 175.30 176.52 1xl5 s TRP 42 N -2.97 -0.07 0.03 -0.53 1.48 -1.26 -4.45 118.94 111.16 1xl5 s TRP 42 Ca 0.58 -0.27 0.01 0.00 -1.06 0.00 0.00 56.10 55.37 1xl5 s TRP 42 Cb -0.13 0.26 -0.02 0.00 -1.16 0.00 0.00 33.47 32.41 1xl5 s TRP 42 CO 0.51 -0.78 -0.05 -1.59 -4.06 0.00 0.00 176.95 170.97 1xl5 s LYS 43 N -3.86 0.40 0.53 3.25 -2.85 -0.70 -4.91 119.74 111.61 1xl5 s LYS 43 Ca 0.07 -0.62 -0.18 0.00 -1.00 0.00 0.00 55.97 54.24 1xl5 s LYS 43 Cb 0.01 -0.11 -0.06 0.00 -2.06 0.00 0.00 37.83 35.60 1xl5 s LYS 43 CO -0.07 0.01 1.06 -1.25 0.10 0.00 0.00 175.35 175.20 1xl5 s PRO 44 N -1.35 3.56 0.03 1.78 0.05 -1.26 0.26 135.00 138.07 1xl5 s PRO 44 Ca -0.11 1.33 -0.18 0.00 0.05 0.00 0.00 61.00 62.10 1xl5 s PRO 44 Cb -0.09 -2.06 0.03 0.00 0.05 0.00 0.00 34.50 32.43 1xl5 s PRO 44 CO -0.00 -0.63 0.39 0.21 0.05 0.00 0.00 177.00 177.02 1xl5 s LYS 45 N -3.56 0.87 -0.12 4.56 2.20 -0.38 -4.83 119.74 118.49 1xl5 s LYS 45 Ca 0.67 -0.33 -0.00 0.00 -0.36 0.00 0.00 55.97 55.94 1xl5 s LYS 45 Cb -0.17 0.39 -0.02 0.00 -1.51 0.00 0.00 37.83 36.52 1xl5 s LYS 45 CO 0.27 -0.29 -0.10 -1.64 -0.36 0.00 0.00 175.35 173.23 1xl5 s MET 46 N -2.27 3.27 0.09 4.03 -1.94 -1.26 -0.03 119.30 121.19 1xl5 s MET 46 Ca -0.07 -0.63 0.08 0.00 -1.71 0.00 0.00 55.69 53.36 1xl5 s MET 46 Cb -0.01 -2.66 -0.03 0.00 2.01 0.00 0.00 34.83 34.13 1xl5 s MET 46 CO -0.01 0.33 -0.20 0.96 -0.01 0.00 0.00 175.02 176.09 1xl5 s ILE 47 N 0.08 1.61 0.37 2.53 -4.36 -0.14 -4.97 121.20 116.33 1xl5 s ILE 47 Ca -0.04 -1.48 -0.07 0.00 -0.26 0.00 0.00 60.65 58.80 1xl5 s ILE 47 Cb -0.14 -1.47 0.03 0.00 1.25 0.00 0.00 42.46 42.12 1xl5 s ILE 47 CO 0.04 -0.07 0.62 -0.83 0.24 0.00 0.00 174.94 174.95 1xl5 s GLY 48 N -1.82 1.07 0.00 6.27 0.00 -1.26 -0.18 107.32 111.40 1xl5 s GLY 48 Ca 0.05 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.54 1xl5 s GLY 48 CO 0.04 -0.72 0.00 0.61 0.00 0.00 0.00 173.10 173.03 1xl5 n GLY 49 N -0.57 -0.64 3.71 0.20 0.00 0.79 -4.95 105.19 103.73 1xl5 n GLY 49 Ca -0.03 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 1xl5 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xl5 s ILE 50 N -2.96 2.96 0.00 -0.61 1.01 -1.26 -0.61 121.20 119.72 1xl5 s ILE 50 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 60.65 61.32 1xl5 s ILE 50 Cb 0.00 -3.43 0.00 0.00 0.01 0.00 0.00 42.46 39.04 1xl5 s ILE 50 CO 0.00 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.60 1xl5 n GLY 51 N 3.66 0.82 0.00 6.18 0.00 -1.26 -4.92 105.19 109.67 1xl5 n GLY 51 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1xl5 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xl5 n GLY 52 N -2.00 -0.34 3.51 -0.02 0.00 0.22 -5.04 105.19 101.52 1xl5 n GLY 52 Ca 0.00 -1.99 -0.26 0.00 0.00 0.00 0.00 46.02 43.77 1xl5 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xl5 s PHE 53 N 0.00 2.47 0.05 1.61 0.40 -1.26 -0.15 117.98 121.10 1xl5 s PHE 53 Ca 0.00 -0.29 0.03 0.00 -0.60 0.00 0.00 56.93 56.07 1xl5 s PHE 53 Cb 0.00 -1.17 -0.03 0.00 0.51 0.00 0.00 43.02 42.34 1xl5 s PHE 53 CO 0.00 0.57 -0.09 0.96 0.70 0.00 0.00 175.22 177.36 1xl5 s ILE 54 N -1.95 0.64 -0.03 0.64 -4.36 0.75 -4.97 121.20 111.92 1xl5 s ILE 54 Ca 0.26 -1.17 -0.21 0.00 -0.26 0.00 0.00 60.65 59.26 1xl5 s ILE 54 Cb -0.07 -0.75 -0.05 0.00 1.25 0.00 0.00 42.46 42.84 1xl5 s ILE 54 CO 0.14 -0.39 0.61 -0.75 0.24 0.00 0.00 174.94 174.79 1xl5 s LYS 55 N -1.75 4.36 0.22 0.37 2.20 -1.26 -0.96 119.74 122.92 1xl5 s LYS 55 Ca -0.07 0.75 0.04 0.00 -0.36 0.00 0.00 55.97 56.32 1xl5 s LYS 55 Cb -0.09 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 32.80 1xl5 s LYS 55 CO 0.00 0.26 -0.01 0.14 -0.36 0.00 0.00 175.35 175.38 1xl5 s VAL 56 N 0.16 1.05 -0.20 4.02 -7.23 0.96 -4.38 120.40 114.78 1xl5 s VAL 56 Ca 0.32 -2.04 -0.08 0.00 -1.81 0.00 0.00 61.98 58.37 1xl5 s VAL 56 Cb -0.18 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 1xl5 s VAL 56 CO 0.17 -0.36 0.08 -0.13 -0.31 0.00 0.00 175.10 174.55 1xl5 s ARG 57 N -3.85 3.97 -0.30 4.82 0.52 -0.11 -1.25 118.95 122.75 1xl5 s ARG 57 Ca 0.27 -0.34 -0.11 0.00 -0.52 0.00 0.00 55.73 55.03 1xl5 s ARG 57 Cb 0.05 -3.29 -0.03 0.00 0.52 0.00 0.00 34.95 32.20 1xl5 s ARG 57 CO 0.08 0.19 0.20 -1.14 0.02 0.00 0.00 175.30 174.64 1xl5 s GLN 58 N 0.63 3.69 -0.15 3.54 0.74 0.14 -0.75 119.66 127.49 1xl5 s GLN 58 Ca 0.04 -0.50 -0.04 0.00 0.05 0.00 0.00 55.36 54.92 1xl5 s GLN 58 Cb -0.13 -3.68 -0.03 0.00 1.10 0.00 0.00 33.01 30.27 1xl5 s GLN 58 CO 0.01 -0.31 -0.02 0.71 -0.55 0.00 0.00 175.29 175.13 1xl5 s TYR 59 N 1.72 3.06 0.32 1.67 1.51 -0.49 -1.73 117.35 123.41 1xl5 s TYR 59 Ca 0.06 -0.18 0.07 0.00 -1.01 0.00 0.00 57.07 56.01 1xl5 s TYR 59 Cb -0.17 -1.94 -0.02 0.00 -0.11 0.00 0.00 41.96 39.72 1xl5 s TYR 59 CO 0.10 0.06 0.33 -0.51 -1.11 0.00 0.00 175.55 174.42 1xl5 s ASP 60 N 0.17 5.52 -1.29 2.29 1.01 -1.26 -0.56 116.67 122.55 1xl5 s ASP 60 Ca -0.01 -0.37 -0.04 0.00 0.71 0.00 0.00 52.55 52.84 1xl5 s ASP 60 Cb -0.13 -1.11 -0.01 0.00 1.01 0.00 0.00 42.92 42.68 1xl5 s ASP 60 CO 0.02 -0.33 0.67 0.00 0.21 0.00 0.00 175.17 175.74 1xl5 n GLN 61 N -1.42 -3.85 -4.06 8.23 6.02 -1.16 -4.90 117.38 116.23 1xl5 n GLN 61 Ca -0.02 0.56 -0.35 0.00 -0.01 0.00 0.00 57.00 57.18 1xl5 n GLN 61 Cb 0.59 -4.91 -0.09 0.00 1.02 0.00 0.00 30.24 26.84 1xl5 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1xl5 s ILE 62 N -3.68 4.74 0.15 5.09 -1.09 -0.42 -4.83 121.20 121.16 1xl5 s ILE 62 Ca 0.10 -0.06 -0.27 0.00 -2.23 0.00 0.00 60.65 58.19 1xl5 s ILE 62 Cb -0.03 -3.11 -0.07 0.00 -1.58 0.00 0.00 42.46 37.67 1xl5 s ILE 62 CO 0.83 0.50 0.85 -0.76 -1.23 0.00 0.00 174.94 175.12 1xl5 s LEU 63 N 0.07 4.56 0.01 2.97 1.43 -1.26 -1.51 118.68 124.95 1xl5 s LEU 63 Ca 0.05 1.71 -0.07 0.00 -1.03 0.00 0.00 54.13 54.79 1xl5 s LEU 63 Cb -0.12 -3.41 -0.00 0.00 0.03 0.00 0.00 46.19 42.69 1xl5 s LEU 63 CO 0.01 0.11 0.12 -0.51 0.23 0.00 0.00 176.35 176.31 1xl5 s ILE 64 N -0.74 0.09 -0.16 -0.59 2.07 -0.29 -4.61 121.20 116.97 1xl5 s ILE 64 Ca 0.39 -0.77 0.01 0.00 -1.41 0.00 0.00 60.65 58.88 1xl5 s ILE 64 Cb -0.23 -0.50 0.02 0.00 0.13 0.00 0.00 42.46 41.87 1xl5 s ILE 64 CO 0.28 -0.42 -0.19 -1.61 -1.91 0.00 0.00 174.94 171.08 1xl5 s GLU 65 N -1.60 2.79 -0.23 3.50 2.02 -0.60 -0.15 118.70 124.43 1xl5 s GLU 65 Ca -0.13 -0.76 0.02 0.00 0.02 0.00 0.00 54.97 54.12 1xl5 s GLU 65 Cb -0.07 -2.38 0.05 0.00 0.10 0.00 0.00 34.13 31.83 1xl5 s GLU 65 CO 0.00 -0.15 -0.11 0.42 0.02 0.00 0.00 175.26 175.44 1xl5 s ILE 66 N 1.17 1.96 -1.59 -1.63 1.01 -0.02 -0.28 121.20 121.82 1xl5 s ILE 66 Ca 0.01 -1.36 -0.15 0.00 0.00 0.00 0.00 60.65 59.15 1xl5 s ILE 66 Cb -0.14 -2.04 0.11 0.00 0.01 0.00 0.00 42.46 40.40 1xl5 s ILE 66 CO -0.09 0.08 0.93 0.00 0.00 0.00 0.00 174.94 175.86 1xl5 n GLY 68 N -1.60 0.76 3.58 0.00 0.00 -1.26 -5.00 105.19 101.67 1xl5 n GLY 68 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1xl5 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xl5 s HIS 69 N -3.12 3.17 0.17 1.61 4.02 0.19 -5.06 115.29 116.27 1xl5 s HIS 69 Ca 0.00 -0.07 -0.28 0.00 1.02 0.00 0.00 55.06 55.73 1xl5 s HIS 69 Cb 0.00 -2.06 -0.08 0.00 -1.02 0.00 0.00 32.58 29.42 1xl5 s HIS 69 CO 0.00 0.06 0.86 0.15 1.02 0.00 0.00 174.74 176.83 1xl5 s LYS 70 N 0.48 4.68 0.14 1.40 1.02 -1.26 -0.84 119.74 125.36 1xl5 s LYS 70 Ca 0.01 1.31 -0.10 0.00 0.02 0.00 0.00 55.97 57.22 1xl5 s LYS 70 Cb -0.13 -3.30 -0.00 0.00 -0.52 0.00 0.00 37.83 33.88 1xl5 s LYS 70 CO 0.01 0.47 0.27 0.00 -0.92 0.00 0.00 175.35 175.18 1xl5 s ALA 71 N -0.86 -0.16 -0.01 5.17 0.00 0.79 -4.81 121.76 121.88 1xl5 s ALA 71 Ca 0.40 -0.73 0.04 0.00 0.00 0.00 0.00 51.96 51.67 1xl5 s ALA 71 Cb -0.24 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.61 1xl5 s ALA 71 CO 0.28 -0.61 -0.14 0.42 0.00 0.00 0.00 175.76 175.71 1xl5 s ILE 72 N -3.92 1.13 -0.04 0.00 1.09 -1.26 -1.13 121.20 117.07 1xl5 s ILE 72 Ca 0.12 -0.61 -0.14 0.00 -1.10 0.00 0.00 60.65 58.93 1xl5 s ILE 72 Cb 0.04 -0.95 0.05 0.00 -1.06 0.00 0.00 42.46 40.53 1xl5 s ILE 72 CO -0.04 0.32 0.62 0.61 -0.10 0.00 0.00 174.94 176.35 1xl5 n GLY 73 N 2.78 0.29 3.75 6.18 0.00 -0.57 -4.90 105.19 112.72 1xl5 n GLY 73 Ca -0.15 -0.90 -0.40 0.00 0.00 0.00 0.00 46.02 44.57 1xl5 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xl5 s THR 74 N -2.02 3.76 -0.08 2.61 2.01 -1.26 -1.30 115.64 119.35 1xl5 s THR 74 Ca 0.15 1.72 0.02 0.00 0.31 0.00 0.00 61.69 63.89 1xl5 s THR 74 Cb -0.00 -4.10 0.01 0.00 0.01 0.00 0.00 72.50 68.43 1xl5 s THR 74 CO -0.01 0.39 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.48 1xl5 s VAL 75 N -0.98 1.30 -0.06 3.82 1.01 0.28 -4.43 120.40 121.34 1xl5 s VAL 75 Ca 0.44 -0.55 -0.13 0.00 0.00 0.00 0.00 61.98 61.75 1xl5 s VAL 75 Cb -0.29 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 1xl5 s VAL 75 CO 0.37 0.40 0.32 -0.76 0.00 0.00 0.00 175.10 175.43 1xl5 s LEU 76 N 0.83 4.42 -0.11 3.92 1.43 0.14 -1.40 118.68 127.90 1xl5 s LEU 76 Ca -0.11 0.76 0.03 0.00 -1.03 0.00 0.00 54.13 53.78 1xl5 s LEU 76 Cb -0.15 -2.42 0.01 0.00 0.03 0.00 0.00 46.19 43.66 1xl5 s LEU 76 CO 0.01 0.31 -0.19 -0.69 0.23 0.00 0.00 176.35 176.02 1xl5 s VAL 77 N -0.81 1.79 -0.74 -1.59 1.01 0.07 -0.52 120.40 119.60 1xl5 s VAL 77 Ca 0.20 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1xl5 s VAL 77 Cb -0.15 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.64 1xl5 s VAL 77 CO 0.09 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1xl5 n GLY 78 N 3.94 -1.28 2.12 4.51 0.00 -0.59 -0.93 105.19 112.96 1xl5 n GLY 78 Ca -0.20 -0.89 -0.21 0.00 0.00 0.00 0.00 46.02 44.72 1xl5 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xl5 n PRO 79 N -0.02 2.56 -2.48 1.61 -0.04 -1.26 -3.43 135.00 131.94 1xl5 n PRO 79 Ca 0.00 -1.40 -0.37 0.00 -0.04 0.00 0.00 63.50 61.68 1xl5 n PRO 79 Cb 0.00 -2.27 -0.04 0.00 -0.04 0.00 0.00 33.50 31.15 1xl5 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1xl5 s THR 80 N 1.47 3.57 -0.35 0.52 -1.32 -1.26 -4.94 115.64 113.31 1xl5 s THR 80 Ca 0.67 1.28 0.27 0.00 -1.21 0.00 0.00 61.69 62.70 1xl5 s THR 80 Cb 0.26 -3.70 0.33 0.00 -1.51 0.00 0.00 72.50 67.88 1xl5 s THR 80 CO -0.02 0.09 1.77 -0.65 -2.21 0.00 0.00 174.62 173.60 1xl5 h PRO 81 N 2.75 0.00 -3.30 7.08 0.11 -1.98 -3.43 132.00 133.22 1xl5 h PRO 81 Ca -0.48 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.49 1xl5 h PRO 81 Cb 1.22 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.12 1xl5 h PRO 81 CO 0.63 0.00 -0.40 0.54 -0.21 0.00 0.00 178.00 178.56 1xl5 s VAL 82 N -3.34 0.07 0.14 3.15 0.11 -1.26 -5.09 120.40 114.18 1xl5 s VAL 82 Ca 0.06 -0.57 -0.30 0.00 -2.93 0.00 0.00 61.98 58.24 1xl5 s VAL 82 Cb 0.08 -0.50 -0.07 0.00 -1.53 0.00 0.00 36.38 34.36 1xl5 s VAL 82 CO 0.57 -0.31 1.21 0.20 -3.33 0.00 0.00 175.10 173.44 1xl5 s ASN 83 N -1.28 7.07 -0.10 3.54 0.01 -1.26 -4.73 114.94 118.18 1xl5 s ASN 83 Ca -0.13 2.17 0.01 0.00 -0.71 0.00 0.00 52.86 54.20 1xl5 s ASN 83 Cb -0.06 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 39.02 1xl5 s ASN 83 CO 0.03 -0.42 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.43 1xl5 s ILE 84 N 0.40 1.33 -0.34 0.60 1.01 -0.39 -0.36 121.20 123.45 1xl5 s ILE 84 Ca 0.56 -0.54 -0.15 0.00 0.00 0.00 0.00 60.65 60.52 1xl5 s ILE 84 Cb -0.32 -1.24 -0.01 0.00 0.01 0.00 0.00 42.46 40.90 1xl5 s ILE 84 CO 0.34 0.41 0.35 -0.63 0.00 0.00 0.00 174.94 175.40 1xl5 s ILE 85 N 1.06 5.18 0.54 2.92 -1.09 0.12 -1.08 121.20 128.86 1xl5 s ILE 85 Ca -0.06 -0.01 0.08 0.00 -2.23 0.00 0.00 60.65 58.43 1xl5 s ILE 85 Cb -0.15 -3.81 0.08 0.00 -1.58 0.00 0.00 42.46 37.00 1xl5 s ILE 85 CO -0.02 -0.09 0.69 0.61 -1.23 0.00 0.00 174.94 174.90 1xl5 n GLY 86 N 4.98 2.09 0.24 6.18 0.00 -1.24 -0.49 105.19 116.95 1xl5 n GLY 86 Ca -0.10 -2.23 0.07 0.00 0.00 0.00 0.00 46.02 43.76 1xl5 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1xl5 h ARG 87 N 0.00 0.00 0.00 1.61 3.08 -1.03 -1.42 114.38 116.62 1xl5 h ARG 87 Ca -0.27 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.78 1xl5 h ARG 87 Cb 1.18 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.22 1xl5 h ARG 87 CO 0.39 0.09 -0.02 -2.95 -1.07 0.00 0.00 179.97 176.41 1xl5 h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.78 -1.84 115.58 117.93 1xl5 h ASN 88 Ca -0.00 0.00 -0.17 0.00 0.07 0.00 0.00 56.30 56.20 1xl5 h ASN 88 Cb 0.16 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.38 1xl5 h ASN 88 CO 0.01 0.02 -1.83 0.18 0.07 0.00 0.00 177.43 175.88 1xl5 n LEU 89 N -4.13 0.00 0.00 6.14 4.77 -0.78 -4.43 117.00 118.57 1xl5 n LEU 89 Ca -0.03 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.99 1xl5 n LEU 89 Cb 0.10 0.23 0.43 0.00 -2.33 0.00 0.00 43.42 41.84 1xl5 n LEU 89 CO 0.31 0.23 1.16 -0.07 -1.33 0.00 0.00 177.39 177.69 1xl5 h LEU 90 N 0.00 0.47 -1.00 2.23 3.38 -0.93 -2.48 115.31 116.98 1xl5 h LEU 90 Ca -0.25 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 1xl5 h LEU 90 Cb 1.46 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.07 1xl5 h LEU 90 CO 0.01 0.34 0.12 0.71 0.09 0.00 0.00 178.44 179.71 1xl5 h THR 91 N 0.55 1.23 0.00 0.22 1.35 -1.56 -1.30 112.91 113.40 1xl5 h THR 91 Ca 0.15 -0.85 -0.07 0.00 -0.55 0.00 0.00 66.41 65.09 1xl5 h THR 91 Cb -0.05 0.69 -0.01 0.00 -1.73 0.00 0.00 68.15 67.05 1xl5 h THR 91 CO -0.03 0.31 -0.34 1.56 -0.25 0.00 0.00 175.52 176.77 1xl5 h GLN 92 N 0.81 0.00 -0.18 4.72 1.08 -1.67 -0.89 115.11 118.98 1xl5 h GLN 92 Ca 0.17 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 1xl5 h GLN 92 Cb 0.32 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 1xl5 h GLN 92 CO 0.00 0.34 0.00 0.44 -0.95 0.00 0.00 178.83 178.66 1xl5 n ILE 93 N -3.67 0.22 -1.52 2.54 -5.35 -1.12 -4.93 119.36 105.53 1xl5 n ILE 93 Ca -0.01 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 61.99 1xl5 n ILE 93 Cb 0.45 0.79 0.00 0.00 -1.74 0.00 0.00 39.64 39.14 1xl5 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xl5 n GLY 94 N 1.29 0.51 3.74 3.28 0.00 -0.34 -5.01 105.19 108.67 1xl5 n GLY 94 Ca 0.17 -0.85 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 1xl5 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xl5 s THR 96 N 0.10 1.12 -0.05 0.00 -4.23 -1.26 -4.72 115.64 106.59 1xl5 s THR 96 Ca 0.42 -1.66 -0.17 0.00 -1.18 0.00 0.00 61.69 59.09 1xl5 s THR 96 Cb -0.21 -1.42 -0.05 0.00 1.34 0.00 0.00 72.50 72.16 1xl5 s THR 96 CO 0.25 -0.48 0.47 -0.76 -0.54 0.00 0.00 174.62 173.56 1xl5 s LEU 97 N -2.42 4.37 -0.02 4.79 1.43 -1.26 -5.09 118.68 120.48 1xl5 s LEU 97 Ca 0.07 0.93 0.00 0.00 -1.03 0.00 0.00 54.13 54.10 1xl5 s LEU 97 Cb -0.04 -2.70 0.03 0.00 0.03 0.00 0.00 46.19 43.51 1xl5 s LEU 97 CO 0.01 0.14 0.01 0.20 0.23 0.00 0.00 176.35 176.94 1xl5 s ASN 98 N -0.14 0.27 0.00 2.29 -0.87 -1.26 -5.30 114.94 109.93 1xl5 s ASN 98 Ca 0.26 -0.00 0.00 0.00 -1.57 0.00 0.00 52.86 51.55 1xl5 s ASN 98 Cb -0.16 -0.15 0.00 0.00 -0.02 0.00 0.00 41.25 40.91 1xl5 s ASN 98 CO 0.13 -0.10 0.00 2.22 -2.57 0.00 0.00 177.10 176.77