#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1axa s GLN 2 N 0.00 4.14 -0.17 0.54 0.74 -1.26 -5.05 119.66 118.60 1axa s GLN 2 Ca 0.00 0.54 -0.03 0.00 0.05 0.00 0.00 55.36 55.92 1axa s GLN 2 Cb 0.00 -3.62 -0.02 0.00 1.10 0.00 0.00 33.01 30.46 1axa s GLN 2 CO 0.00 -0.34 -0.05 0.42 -0.55 0.00 0.00 175.29 174.76 1axa s ILE 3 N 2.27 3.65 0.30 -2.34 1.01 -1.26 -5.10 121.20 119.73 1axa s ILE 3 Ca 0.26 -0.43 -0.06 0.00 0.00 0.00 0.00 60.65 60.42 1axa s ILE 3 Cb -0.16 -2.60 -0.06 0.00 0.01 0.00 0.00 42.46 39.65 1axa s ILE 3 CO 0.09 0.48 0.58 0.42 0.00 0.00 0.00 174.94 176.51 1axa s THR 4 N 0.62 4.98 -0.52 2.92 -4.23 -1.26 -5.01 115.64 113.14 1axa s THR 4 Ca -0.03 0.19 0.11 0.00 -1.18 0.00 0.00 61.69 60.78 1axa s THR 4 Cb -0.15 -3.72 0.63 0.00 1.34 0.00 0.00 72.50 70.60 1axa s THR 4 CO 0.03 -0.32 1.46 0.18 -0.54 0.00 0.00 174.62 175.43 1axa n LEU 5 N -0.88 4.56 0.13 4.79 4.77 -1.26 -4.27 117.00 124.84 1axa n LEU 5 Ca -0.01 -2.31 -0.02 0.00 -0.03 0.00 0.00 56.01 53.64 1axa n LEU 5 Cb 0.54 -0.63 0.19 0.00 -2.33 0.00 0.00 43.42 41.19 1axa n LEU 5 CO 0.48 0.56 0.54 -0.50 -1.33 0.00 0.00 177.39 177.14 1axa h TRP 6 N 3.10 0.11 -1.79 -1.77 4.06 -2.05 -3.43 115.95 114.18 1axa h TRP 6 Ca 0.00 -0.04 -0.60 0.00 2.06 0.00 0.00 58.89 60.31 1axa h TRP 6 Cb 1.59 -0.02 -0.11 0.00 -1.00 0.00 0.00 29.16 29.61 1axa h TRP 6 CO 0.82 0.62 -0.60 -0.65 -3.56 0.00 0.00 178.44 175.07 1axa s GLN 7 N -3.80 2.02 0.29 0.49 1.11 -1.26 -5.08 119.66 113.43 1axa s GLN 7 Ca -0.03 -1.90 -0.30 0.00 0.01 0.00 0.00 55.36 53.14 1axa s GLN 7 Cb 0.13 -1.82 -0.12 0.00 -1.01 0.00 0.00 33.01 30.19 1axa s GLN 7 CO 0.77 0.04 1.60 0.54 0.01 0.00 0.00 175.29 178.24 1axa n ARG 8 N -0.98 2.68 -2.69 2.91 1.74 -1.26 -4.87 116.66 114.19 1axa n ARG 8 Ca -0.04 0.95 -0.42 0.00 -0.77 0.00 0.00 57.85 57.57 1axa n ARG 8 Cb 0.64 -2.73 -0.02 0.00 -1.02 0.00 0.00 32.46 29.33 1axa n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1axa s PRO 9 N -0.40 3.70 -0.09 5.56 0.04 -1.26 -4.96 135.00 137.58 1axa s PRO 9 Ca 0.65 -1.55 -0.05 0.00 0.04 0.00 0.00 61.00 60.09 1axa s PRO 9 Cb -0.50 -5.26 -0.04 0.00 0.04 0.00 0.00 34.50 28.74 1axa s PRO 9 CO 0.48 -2.07 0.12 -0.51 0.04 0.00 0.00 177.00 175.05 1axa s LEU 10 N 4.01 4.21 0.04 -3.56 1.43 -1.26 -0.27 118.68 123.28 1axa s LEU 10 Ca 0.44 0.38 -0.00 0.00 -1.03 0.00 0.00 54.13 53.91 1axa s LEU 10 Cb -0.01 -2.09 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 1axa s LEU 10 CO -0.06 0.38 -0.03 0.54 0.23 0.00 0.00 176.35 177.41 1axa s VAL 11 N -1.04 0.21 -0.11 -1.59 0.11 0.17 -4.95 120.40 113.19 1axa s VAL 11 Ca 0.16 -1.40 -0.14 0.00 -2.93 0.00 0.00 61.98 57.67 1axa s VAL 11 Cb -0.12 -0.96 -0.05 0.00 -1.53 0.00 0.00 36.38 33.73 1axa s VAL 11 CO 0.06 -0.76 0.33 0.28 -3.33 0.00 0.00 175.10 171.68 1axa s THR 12 N -2.76 5.24 0.19 5.04 -1.32 -1.26 -0.25 115.64 120.51 1axa s THR 12 Ca -0.03 0.65 0.10 0.00 -1.21 0.00 0.00 61.69 61.20 1axa s THR 12 Cb -0.00 -3.66 -0.04 0.00 -1.51 0.00 0.00 72.50 67.28 1axa s THR 12 CO -0.06 0.45 -0.22 0.27 -2.21 0.00 0.00 174.62 172.85 1axa s ILE 13 N -0.02 2.18 -0.15 5.08 -4.36 0.51 -1.98 121.20 122.47 1axa s ILE 13 Ca 0.19 -2.02 0.01 0.00 -0.26 0.00 0.00 60.65 58.58 1axa s ILE 13 Cb -0.14 -2.04 0.02 0.00 1.25 0.00 0.00 42.46 41.55 1axa s ILE 13 CO 0.07 -0.20 -0.15 -0.75 0.24 0.00 0.00 174.94 174.15 1axa s LYS 14 N -2.76 2.39 -0.08 0.37 2.20 -0.84 -0.31 119.74 120.70 1axa s LYS 14 Ca 0.20 -0.60 -0.03 0.00 -0.36 0.00 0.00 55.97 55.17 1axa s LYS 14 Cb -0.07 -2.14 0.04 0.00 -1.51 0.00 0.00 37.83 34.15 1axa s LYS 14 CO 0.09 -0.20 0.17 -1.50 -0.36 0.00 0.00 175.35 173.55 1axa s ILE 15 N 1.37 -0.13 -1.47 5.43 2.07 -0.55 -1.13 121.20 126.80 1axa s ILE 15 Ca 0.03 0.24 -0.08 0.00 -1.41 0.00 0.00 60.65 59.43 1axa s ILE 15 Cb -0.13 -0.28 0.03 0.00 0.13 0.00 0.00 42.46 42.20 1axa s ILE 15 CO -0.09 0.10 0.82 0.61 -1.91 0.00 0.00 174.94 174.46 1axa n GLY 16 N 4.62 -0.52 3.16 1.50 0.00 -1.26 -1.42 105.19 111.25 1axa n GLY 16 Ca -0.19 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1axa n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1axa n GLY 17 N -1.65 1.45 3.59 -0.02 0.00 -1.26 -5.01 105.19 102.28 1axa n GLY 17 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1axa n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1axa s GLN 18 N -0.08 2.60 -0.10 1.61 -0.21 -0.51 -5.12 119.66 117.86 1axa s GLN 18 Ca 0.00 -0.67 -0.10 0.00 0.02 0.00 0.00 55.36 54.60 1axa s GLN 18 Cb 0.00 -2.52 -0.05 0.00 1.00 0.00 0.00 33.01 31.44 1axa s GLN 18 CO 0.00 0.62 0.24 -0.51 -2.12 0.00 0.00 175.29 173.52 1axa s LEU 19 N -1.21 4.38 0.25 2.90 1.43 -1.26 -1.47 118.68 123.69 1axa s LEU 19 Ca 0.15 0.60 -0.09 0.00 -1.03 0.00 0.00 54.13 53.77 1axa s LEU 19 Cb -0.11 -2.26 -0.01 0.00 0.03 0.00 0.00 46.19 43.84 1axa s LEU 19 CO 0.05 0.33 0.41 -0.54 0.23 0.00 0.00 176.35 176.83 1axa s LYS 20 N -0.74 1.54 0.16 1.70 1.02 0.57 -4.99 119.74 119.00 1axa s LYS 20 Ca 0.17 -1.41 0.07 0.00 0.02 0.00 0.00 55.97 54.82 1axa s LYS 20 Cb -0.13 0.43 -0.04 0.00 -0.52 0.00 0.00 37.83 37.56 1axa s LYS 20 CO 0.06 -0.62 -0.01 -1.21 -0.92 0.00 0.00 175.35 172.66 1axa s GLU 21 N -3.88 2.41 0.04 1.68 2.02 -1.26 -0.36 118.70 119.34 1axa s GLU 21 Ca 0.27 -1.07 -0.16 0.00 0.02 0.00 0.00 54.97 54.03 1axa s GLU 21 Cb 0.01 -2.38 0.03 0.00 0.10 0.00 0.00 34.13 31.89 1axa s GLU 21 CO 0.11 0.47 0.36 0.00 0.02 0.00 0.00 175.26 176.23 1axa s ALA 22 N -1.65 -0.87 -0.14 5.21 0.00 0.65 -4.55 121.76 120.42 1axa s ALA 22 Ca 0.27 0.20 -0.17 0.00 0.00 0.00 0.00 51.96 52.26 1axa s ALA 22 Cb -0.10 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 1axa s ALA 22 CO 0.18 -0.42 0.42 -1.17 0.00 0.00 0.00 175.76 174.78 1axa s LEU 23 N -1.95 4.25 -0.44 0.00 2.96 0.06 -0.66 118.68 122.90 1axa s LEU 23 Ca -0.06 0.70 -0.28 0.00 -0.22 0.00 0.00 54.13 54.26 1axa s LEU 23 Cb -0.01 -2.60 0.01 0.00 0.50 0.00 0.00 46.19 44.09 1axa s LEU 23 CO -0.02 0.01 1.47 -0.76 -1.32 0.00 0.00 176.35 175.73 1axa s LEU 24 N 0.70 3.53 -0.24 -0.68 1.02 0.63 -0.23 118.68 123.41 1axa s LEU 24 Ca 0.23 0.76 0.02 0.00 0.02 0.00 0.00 54.13 55.16 1axa s LEU 24 Cb -0.15 -3.41 0.06 0.00 0.02 0.00 0.00 46.19 42.71 1axa s LEU 24 CO 0.08 -1.55 -0.10 -0.62 0.02 0.00 0.00 176.35 174.18 1axa s ASP 25 N 4.42 4.10 0.44 2.29 2.15 -0.16 -4.81 116.67 125.09 1axa s ASP 25 Ca 0.62 -1.24 0.24 0.00 0.43 0.00 0.00 52.55 52.60 1axa s ASP 25 Cb -0.14 -1.41 0.78 0.00 -0.30 0.00 0.00 42.92 41.85 1axa s ASP 25 CO 0.31 -0.19 1.76 0.71 -0.17 0.00 0.00 175.17 177.59 1axa h THR 26 N 6.66 0.41 -0.06 1.71 1.35 -1.94 -2.95 112.91 118.08 1axa h THR 26 Ca -0.21 -1.16 0.00 0.00 -0.55 0.00 0.00 66.41 64.49 1axa h THR 26 Cb 1.06 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 69.34 1axa h THR 26 CO 0.46 0.18 0.00 0.61 -0.25 0.00 0.00 175.52 176.52 1axa n GLY 27 N 0.45 -0.55 3.31 5.82 0.00 -1.26 -4.80 105.19 108.17 1axa n GLY 27 Ca 0.01 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 1axa n GLY 27 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1axa s SER 28 N -1.54 3.78 0.21 1.61 0.15 -1.11 -5.00 113.70 111.79 1axa s SER 28 Ca 0.28 -0.41 -0.01 0.00 0.70 0.00 0.00 55.95 56.52 1axa s SER 28 Cb 0.14 -1.57 0.16 0.00 -1.71 0.00 0.00 66.02 63.04 1axa s SER 28 CO 0.22 0.13 1.52 0.44 1.20 0.00 0.00 173.24 176.76 1axa h ASP 29 N 6.93 0.50 -1.29 5.45 3.32 -1.87 -0.21 116.42 129.24 1axa h ASP 29 Ca -0.27 -0.27 -0.55 0.00 0.02 0.00 0.00 57.03 55.95 1axa h ASP 29 Cb 1.21 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 40.55 1axa h ASP 29 CO 0.55 0.96 -0.42 -1.81 -1.72 0.00 0.00 179.24 176.81 1axa s ASP 30 N -6.92 4.65 -0.23 6.45 1.01 -1.26 -1.77 116.67 118.60 1axa s ASP 30 Ca -0.06 -1.03 -0.06 0.00 0.71 0.00 0.00 52.55 52.10 1axa s ASP 30 Cb 0.11 -0.27 -0.02 0.00 1.01 0.00 0.00 42.92 43.75 1axa s ASP 30 CO 0.83 -0.72 0.04 -0.89 0.21 0.00 0.00 175.17 174.63 1axa s THR 31 N -2.61 4.08 -0.13 -1.27 2.01 -1.26 -2.90 115.64 113.56 1axa s THR 31 Ca 0.40 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.15 1axa s THR 31 Cb 0.00 -2.89 0.02 0.00 0.01 0.00 0.00 72.50 69.65 1axa s THR 31 CO 0.23 0.37 -0.12 0.54 -0.69 0.00 0.00 174.62 174.96 1axa s VAL 32 N 1.45 1.34 0.06 3.82 0.11 -0.82 -0.96 120.40 125.40 1axa s VAL 32 Ca 0.05 -0.49 0.06 0.00 -2.93 0.00 0.00 61.98 58.67 1axa s VAL 32 Cb -0.15 -1.28 -0.04 0.00 -1.53 0.00 0.00 36.38 33.38 1axa s VAL 32 CO 0.02 0.42 -0.12 -0.76 -3.33 0.00 0.00 175.10 171.33 1axa s LEU 33 N 1.51 2.92 0.70 2.54 1.43 0.15 -1.09 118.68 126.85 1axa s LEU 33 Ca 0.03 -0.35 -0.16 0.00 -1.03 0.00 0.00 54.13 52.63 1axa s LEU 33 Cb -0.13 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.38 1axa s LEU 33 CO -0.09 0.23 1.07 -1.84 0.23 0.00 0.00 176.35 175.95 1axa n GLU 34 N 1.19 0.64 -1.54 1.70 0.28 -1.25 -0.83 120.64 120.82 1axa n GLU 34 Ca -0.15 0.27 -0.50 0.00 -0.16 0.00 0.00 57.16 56.63 1axa n GLU 34 Cb 0.52 -2.31 -0.04 0.00 1.43 0.00 0.00 31.44 31.04 1axa n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1axa n GLU 35 N -1.96 0.84 -3.86 3.44 4.07 -1.10 -4.60 120.64 117.46 1axa n GLU 35 Ca 0.14 0.30 -0.08 0.00 -0.06 0.00 0.00 57.16 57.46 1axa n GLU 35 Cb 0.49 -1.71 -0.01 0.00 -0.06 0.00 0.00 31.44 30.14 1axa n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1axa s MET 36 N -0.49 1.89 -0.88 5.31 0.23 -1.26 -5.05 119.30 119.05 1axa s MET 36 Ca 0.73 -1.16 -0.22 0.00 -1.03 0.00 0.00 55.69 54.01 1axa s MET 36 Cb -0.91 0.60 0.08 0.00 -1.53 0.00 0.00 34.83 33.06 1axa s MET 36 CO 0.54 -0.87 1.23 -1.12 -2.03 0.00 0.00 175.02 172.78 1axa s SER 37 N -2.98 6.42 0.20 -1.18 0.01 -1.26 -5.00 113.70 109.92 1axa s SER 37 Ca 0.14 -1.38 0.11 0.00 1.31 0.00 0.00 55.95 56.13 1axa s SER 37 Cb -0.05 -2.49 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 1axa s SER 37 CO 0.09 -1.41 -0.23 -0.76 0.41 0.00 0.00 173.24 171.33 1axa s LEU 38 N 4.23 2.45 0.14 2.44 1.02 -1.26 -4.95 118.68 122.76 1axa s LEU 38 Ca 0.36 -0.89 0.09 0.00 0.02 0.00 0.00 54.13 53.71 1axa s LEU 38 Cb -0.06 -1.15 -0.04 0.00 0.02 0.00 0.00 46.19 44.97 1axa s LEU 38 CO -0.02 0.10 -0.20 -2.16 0.02 0.00 0.00 176.35 174.09 1axa s PRO 39 N -2.77 1.24 0.00 1.29 0.04 -1.26 -5.05 135.00 128.48 1axa s PRO 39 Ca 0.22 -1.31 0.00 0.00 0.04 0.00 0.00 61.00 59.94 1axa s PRO 39 Cb -0.07 -1.42 0.00 0.00 0.04 0.00 0.00 34.50 33.05 1axa s PRO 39 CO 0.10 0.31 0.00 0.41 0.04 0.00 0.00 177.00 177.86 1axa n GLY 40 N 0.64 -0.63 3.96 0.56 0.00 -1.26 -5.04 105.19 103.42 1axa n GLY 40 Ca -0.16 -2.17 -0.23 0.00 0.00 0.00 0.00 46.02 43.47 1axa n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1axa s ARG 41 N 0.00 2.56 -0.02 1.61 0.52 -1.26 -5.09 118.95 117.27 1axa s ARG 41 Ca 0.00 -0.58 -0.15 0.00 -0.52 0.00 0.00 55.73 54.48 1axa s ARG 41 Cb 0.00 -2.41 0.02 0.00 0.52 0.00 0.00 34.95 33.08 1axa s ARG 41 CO 0.00 -0.77 0.32 1.67 0.02 0.00 0.00 175.30 176.54 1axa s TRP 42 N -2.86 -0.20 -0.01 -0.53 1.48 -1.26 -4.58 118.94 110.98 1axa s TRP 42 Ca 0.57 0.31 0.03 0.00 -1.06 0.00 0.00 56.10 55.94 1axa s TRP 42 Cb -0.10 0.11 -0.03 0.00 -1.16 0.00 0.00 33.47 32.28 1axa s TRP 42 CO 0.40 -0.39 -0.07 0.15 -4.06 0.00 0.00 176.95 172.98 1axa s LYS 43 N -1.29 2.58 0.38 3.25 1.02 0.21 -4.85 119.74 121.03 1axa s LYS 43 Ca -0.13 -0.69 -0.25 0.00 0.02 0.00 0.00 55.97 54.92 1axa s LYS 43 Cb -0.05 -2.51 -0.09 0.00 -0.52 0.00 0.00 37.83 34.66 1axa s LYS 43 CO 0.04 0.61 1.05 -1.25 -0.92 0.00 0.00 175.35 174.89 1axa s PRO 44 N -1.29 4.26 0.21 -1.68 0.04 -1.26 0.17 135.00 135.45 1axa s PRO 44 Ca 0.16 1.55 -0.12 0.00 0.04 0.00 0.00 61.00 62.63 1axa s PRO 44 Cb -0.11 -2.66 -0.00 0.00 0.04 0.00 0.00 34.50 31.77 1axa s PRO 44 CO 0.06 -0.07 0.43 0.21 0.04 0.00 0.00 177.00 177.67 1axa s LYS 45 N -2.31 1.40 -0.04 4.56 2.20 0.11 -4.81 119.74 120.87 1axa s LYS 45 Ca 0.55 -1.17 0.02 0.00 -0.36 0.00 0.00 55.97 55.02 1axa s LYS 45 Cb -0.24 0.45 0.01 0.00 -1.51 0.00 0.00 37.83 36.54 1axa s LYS 45 CO 0.30 -0.57 -0.08 -1.64 -0.36 0.00 0.00 175.35 173.00 1axa s MET 46 N -3.98 1.04 0.24 4.03 -1.94 -1.26 0.78 119.30 118.21 1axa s MET 46 Ca 0.19 -0.27 0.07 0.00 -1.71 0.00 0.00 55.69 53.97 1axa s MET 46 Cb 0.01 -0.95 -0.05 0.00 2.01 0.00 0.00 34.83 35.84 1axa s MET 46 CO 0.04 0.05 -0.10 0.96 -0.01 0.00 0.00 175.02 175.97 1axa s ILE 47 N 0.43 1.70 0.14 2.53 -4.36 -1.04 -4.99 121.20 115.61 1axa s ILE 47 Ca -0.07 -2.17 0.09 0.00 -0.26 0.00 0.00 60.65 58.24 1axa s ILE 47 Cb -0.11 -2.25 -0.04 0.00 1.25 0.00 0.00 42.46 41.31 1axa s ILE 47 CO 0.01 -0.44 -0.22 -0.83 0.24 0.00 0.00 174.94 173.70 1axa s GLY 48 N -3.38 1.42 0.00 6.27 0.00 -1.26 -2.58 107.32 107.79 1axa s GLY 48 Ca 0.26 -1.42 0.00 0.00 0.00 0.00 0.00 44.72 43.56 1axa s GLY 48 CO 0.10 -1.44 0.00 0.61 0.00 0.00 0.00 173.10 172.37 1axa n GLY 49 N 0.69 4.78 0.20 0.20 0.00 -0.39 -5.00 105.19 105.67 1axa n GLY 49 Ca -0.16 -1.19 -0.08 0.00 0.00 0.00 0.00 46.02 44.58 1axa n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1axa h ILE 50 N 0.00 1.18 -0.50 -0.61 2.10 -2.03 -3.03 117.51 114.62 1axa h ILE 50 Ca 0.00 -0.51 0.00 0.00 1.08 0.00 0.00 64.86 65.43 1axa h ILE 50 Cb 0.00 0.73 0.00 0.00 -1.09 0.00 0.00 36.82 36.46 1axa h ILE 50 CO 0.00 0.20 0.00 0.61 -1.08 0.00 0.00 178.15 177.88 1axa n GLY 51 N -0.89 1.79 0.00 8.18 0.00 -1.26 -5.01 105.19 108.00 1axa n GLY 51 Ca 0.01 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1axa n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1axa n GLY 52 N 1.51 0.68 3.67 -0.02 0.00 -1.15 -5.11 105.19 104.77 1axa n GLY 52 Ca 0.21 -1.59 -0.33 0.00 0.00 0.00 0.00 46.02 44.30 1axa n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1axa s PHE 53 N -3.74 3.07 0.17 1.61 0.40 -1.26 -1.26 117.98 116.97 1axa s PHE 53 Ca 0.00 0.09 0.09 0.00 -0.60 0.00 0.00 56.93 56.50 1axa s PHE 53 Cb 0.00 -1.69 -0.04 0.00 0.51 0.00 0.00 43.02 41.80 1axa s PHE 53 CO 0.00 0.45 -0.18 0.96 0.70 0.00 0.00 175.22 177.15 1axa s ILE 54 N -1.04 1.83 -0.17 0.64 -4.36 -1.06 -4.99 121.20 112.05 1axa s ILE 54 Ca 0.18 -1.96 -0.10 0.00 -0.26 0.00 0.00 60.65 58.51 1axa s ILE 54 Cb -0.11 -1.88 -0.05 0.00 1.25 0.00 0.00 42.46 41.67 1axa s ILE 54 CO 0.08 -0.34 0.16 -0.75 0.24 0.00 0.00 174.94 174.33 1axa s LYS 55 N -2.90 4.03 0.43 0.37 2.20 -1.26 -2.51 119.74 120.11 1axa s LYS 55 Ca 0.17 -0.14 0.03 0.00 -0.36 0.00 0.00 55.97 55.66 1axa s LYS 55 Cb -0.05 -3.37 -0.03 0.00 -1.51 0.00 0.00 37.83 32.87 1axa s LYS 55 CO 0.07 0.40 0.08 0.14 -0.36 0.00 0.00 175.35 175.68 1axa s VAL 56 N 0.04 0.89 -0.14 4.02 -7.23 0.23 -4.42 120.40 113.80 1axa s VAL 56 Ca 0.11 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.30 1axa s VAL 56 Cb -0.12 -2.36 0.01 0.00 0.56 0.00 0.00 36.38 34.47 1axa s VAL 56 CO 0.00 0.00 -0.20 -0.13 -0.31 0.00 0.00 175.10 174.46 1axa s ARG 57 N -3.78 3.07 -0.23 4.82 0.52 -0.27 -0.71 118.95 122.37 1axa s ARG 57 Ca 0.20 -0.83 -0.12 0.00 -0.52 0.00 0.00 55.73 54.47 1axa s ARG 57 Cb 0.03 -2.48 -0.05 0.00 0.52 0.00 0.00 34.95 32.97 1axa s ARG 57 CO 0.11 0.00 0.21 -1.14 0.02 0.00 0.00 175.30 174.51 1axa s GLN 58 N 0.80 4.10 -0.16 3.54 0.74 0.44 -1.40 119.66 127.72 1axa s GLN 58 Ca -0.07 -0.16 0.01 0.00 0.05 0.00 0.00 55.36 55.18 1axa s GLN 58 Cb -0.16 -3.54 0.00 0.00 1.10 0.00 0.00 33.01 30.42 1axa s GLN 58 CO -0.01 0.05 -0.17 0.71 -0.55 0.00 0.00 175.29 175.32 1axa s TYR 59 N 1.09 2.77 0.18 1.67 1.51 -0.46 0.64 117.35 124.75 1axa s TYR 59 Ca 0.10 -1.21 0.04 0.00 -1.01 0.00 0.00 57.07 55.00 1axa s TYR 59 Cb -0.14 -1.89 -0.04 0.00 -0.11 0.00 0.00 41.96 39.79 1axa s TYR 59 CO 0.05 -0.57 0.24 -0.51 -1.11 0.00 0.00 175.55 173.65 1axa s ASP 60 N 0.94 5.97 -1.36 2.29 1.01 -1.26 -1.25 116.67 123.01 1axa s ASP 60 Ca -0.03 0.00 -0.05 0.00 0.71 0.00 0.00 52.55 53.18 1axa s ASP 60 Cb -0.15 -1.69 0.03 0.00 1.01 0.00 0.00 42.92 42.12 1axa s ASP 60 CO -0.03 0.02 0.91 0.00 0.21 0.00 0.00 175.17 176.29 1axa n GLN 61 N -0.73 -5.90 -3.35 8.23 1.13 -1.14 -4.92 117.38 110.70 1axa n GLN 61 Ca -0.08 0.69 -0.38 0.00 -1.94 0.00 0.00 57.00 55.29 1axa n GLN 61 Cb 0.55 -5.50 -0.06 0.00 0.11 0.00 0.00 30.24 25.34 1axa n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1axa s ILE 62 N -3.45 5.21 0.03 5.09 -1.09 -0.18 -4.76 121.20 122.04 1axa s ILE 62 Ca 0.29 0.87 -0.25 0.00 -2.23 0.00 0.00 60.65 59.33 1axa s ILE 62 Cb -0.14 -3.78 -0.05 0.00 -1.58 0.00 0.00 42.46 36.91 1axa s ILE 62 CO 0.79 0.33 0.76 -0.22 -1.23 0.00 0.00 174.94 175.37 1axa s LEU 63 N 0.65 4.43 -0.01 2.97 2.96 -1.26 -2.26 118.68 126.16 1axa s LEU 63 Ca 0.24 1.42 0.01 0.00 -0.22 0.00 0.00 54.13 55.58 1axa s LEU 63 Cb -0.15 -3.21 0.00 0.00 0.50 0.00 0.00 46.19 43.33 1axa s LEU 63 CO 0.09 0.00 -0.03 -0.51 -1.32 0.00 0.00 176.35 174.58 1axa s ILE 64 N 0.03 0.25 -0.24 6.68 2.07 0.13 -4.37 121.20 125.75 1axa s ILE 64 Ca 0.38 -0.12 -0.06 0.00 -1.41 0.00 0.00 60.65 59.44 1axa s ILE 64 Cb -0.20 -0.23 -0.02 0.00 0.13 0.00 0.00 42.46 42.14 1axa s ILE 64 CO 0.22 0.08 0.04 -0.70 -1.91 0.00 0.00 174.94 172.68 1axa s GLU 65 N 0.04 3.55 -0.19 3.50 2.12 -0.28 -0.71 118.70 126.74 1axa s GLU 65 Ca -0.00 -0.54 0.01 0.00 0.36 0.00 0.00 54.97 54.80 1axa s GLU 65 Cb -0.03 -3.24 0.03 0.00 0.26 0.00 0.00 34.13 31.14 1axa s GLU 65 CO -0.00 -0.21 -0.18 0.42 -0.54 0.00 0.00 175.26 174.75 1axa s ILE 66 N 1.57 2.01 -1.44 -3.70 1.01 0.17 -2.00 121.20 118.84 1axa s ILE 66 Ca 0.06 -0.99 -0.04 0.00 0.00 0.00 0.00 60.65 59.68 1axa s ILE 66 Cb -0.15 -1.86 0.03 0.00 0.01 0.00 0.00 42.46 40.49 1axa s ILE 66 CO 0.02 0.46 0.59 0.00 0.00 0.00 0.00 174.94 176.01 1axa n GLY 68 N -1.79 0.37 3.41 0.00 0.00 -1.26 -5.00 105.19 100.93 1axa n GLY 68 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 1axa n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1axa s HIS 69 N -1.93 2.88 0.21 1.61 4.02 0.74 -5.08 115.29 117.73 1axa s HIS 69 Ca 0.00 -0.54 -0.23 0.00 1.02 0.00 0.00 55.06 55.31 1axa s HIS 69 Cb 0.00 -1.88 -0.08 0.00 -1.02 0.00 0.00 32.58 29.60 1axa s HIS 69 CO 0.00 -0.16 0.78 0.15 1.02 0.00 0.00 174.74 176.54 1axa s LYS 70 N 0.35 4.45 0.02 1.40 1.02 -1.26 0.45 119.74 126.17 1axa s LYS 70 Ca -0.09 1.08 -0.11 0.00 0.02 0.00 0.00 55.97 56.87 1axa s LYS 70 Cb -0.15 -3.05 0.01 0.00 -0.52 0.00 0.00 37.83 34.12 1axa s LYS 70 CO 0.05 0.46 0.22 0.00 -0.92 0.00 0.00 175.35 175.16 1axa s ALA 71 N -1.36 -0.49 -0.07 5.17 0.00 0.12 -4.91 121.76 120.21 1axa s ALA 71 Ca 0.41 -0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.35 1axa s ALA 71 Cb -0.20 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.10 1axa s ALA 71 CO 0.24 -0.30 -0.19 0.42 0.00 0.00 0.00 175.76 175.93 1axa s ILE 72 N -1.91 1.66 -0.04 0.00 1.01 -1.26 -0.69 121.20 119.96 1axa s ILE 72 Ca -0.10 -0.81 -0.20 0.00 0.00 0.00 0.00 60.65 59.54 1axa s ILE 72 Cb -0.04 -1.44 0.06 0.00 0.01 0.00 0.00 42.46 41.05 1axa s ILE 72 CO -0.00 0.47 0.89 0.61 0.00 0.00 0.00 174.94 176.91 1axa n GLY 73 N 3.44 0.25 3.75 6.18 0.00 -0.96 -4.90 105.19 112.96 1axa n GLY 73 Ca -0.20 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.47 1axa n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1axa s THR 74 N -2.03 4.55 -0.03 2.61 2.01 -1.26 -1.02 115.64 120.48 1axa s THR 74 Ca 0.21 1.78 0.02 0.00 0.31 0.00 0.00 61.69 64.01 1axa s THR 74 Cb -0.00 -4.18 0.01 0.00 0.01 0.00 0.00 72.50 68.33 1axa s THR 74 CO -0.01 0.40 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.54 1axa s VAL 75 N -0.35 0.73 -0.17 3.82 1.01 -0.38 -4.53 120.40 120.53 1axa s VAL 75 Ca 0.40 -0.31 -0.05 0.00 0.00 0.00 0.00 61.98 62.01 1axa s VAL 75 Cb -0.22 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 1axa s VAL 75 CO 0.26 0.24 0.01 -0.76 0.00 0.00 0.00 175.10 174.85 1axa s LEU 76 N 0.34 3.48 -0.10 3.92 1.43 -0.13 -1.35 118.68 126.27 1axa s LEU 76 Ca -0.05 -0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.02 1axa s LEU 76 Cb -0.10 -1.86 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 1axa s LEU 76 CO 0.01 0.15 -0.19 -0.69 0.23 0.00 0.00 176.35 175.86 1axa s VAL 77 N 0.48 2.58 0.00 -1.59 1.01 -0.49 0.35 120.40 122.74 1axa s VAL 77 Ca -0.00 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1axa s VAL 77 Cb -0.14 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.22 1axa s VAL 77 CO 0.02 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1axa n GLY 78 N 3.24 0.74 2.04 4.51 0.00 -0.01 -1.11 105.19 114.59 1axa n GLY 78 Ca -0.18 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.06 1axa n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1axa n PRO 79 N 0.00 2.03 -2.19 1.61 -0.04 -1.26 -2.73 135.00 132.41 1axa n PRO 79 Ca 0.00 -1.10 -0.33 0.00 -0.04 0.00 0.00 63.50 62.03 1axa n PRO 79 Cb 0.00 -2.01 -0.00 0.00 -0.04 0.00 0.00 33.50 31.45 1axa n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1axa s THR 80 N 0.74 3.92 -0.04 0.52 -1.32 -1.26 -4.95 115.64 113.25 1axa s THR 80 Ca 0.66 0.96 0.13 0.00 -1.21 0.00 0.00 61.69 62.23 1axa s THR 80 Cb 0.32 -3.45 -0.01 0.00 -1.51 0.00 0.00 72.50 67.86 1axa s THR 80 CO -0.02 -0.49 1.44 1.55 -2.21 0.00 0.00 174.62 174.89 1axa h PRO 81 N 0.72 0.00 -4.15 7.08 0.13 -1.97 -3.43 132.00 130.38 1axa h PRO 81 Ca -0.47 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.41 1axa h PRO 81 Cb 1.21 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.10 1axa h PRO 81 CO 0.58 0.63 -0.73 0.08 -0.23 0.00 0.00 178.00 178.33 1axa s VAL 82 N -2.98 0.27 0.09 1.56 1.01 -1.26 -5.06 120.40 114.03 1axa s VAL 82 Ca 0.03 -0.61 -0.31 0.00 0.00 0.00 0.00 61.98 61.09 1axa s VAL 82 Cb 0.09 -0.32 -0.08 0.00 0.00 0.00 0.00 36.38 36.07 1axa s VAL 82 CO 0.76 -0.23 1.41 0.20 0.00 0.00 0.00 175.10 177.25 1axa s ASN 83 N -0.88 6.81 -0.09 3.32 0.01 -1.26 -4.70 114.94 118.14 1axa s ASN 83 Ca -0.07 2.31 0.04 0.00 -0.71 0.00 0.00 52.86 54.43 1axa s ASN 83 Cb -0.06 -2.58 -0.00 0.00 0.41 0.00 0.00 41.25 39.02 1axa s ASN 83 CO -0.00 -0.69 -0.24 -0.63 -1.51 0.00 0.00 177.10 174.04 1axa s ILE 84 N 1.45 2.01 -0.28 0.60 1.01 -0.25 -0.77 121.20 124.97 1axa s ILE 84 Ca 0.65 -1.00 -0.10 0.00 0.00 0.00 0.00 60.65 60.20 1axa s ILE 84 Cb -0.36 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.34 1axa s ILE 84 CO 0.30 0.55 0.15 -0.63 0.00 0.00 0.00 174.94 175.30 1axa s ILE 85 N 0.26 4.81 0.07 2.92 -1.09 0.68 -1.94 121.20 126.90 1axa s ILE 85 Ca -0.16 -0.12 0.01 0.00 -2.23 0.00 0.00 60.65 58.15 1axa s ILE 85 Cb -0.17 -3.33 0.01 0.00 -1.58 0.00 0.00 42.46 37.38 1axa s ILE 85 CO 0.08 0.21 0.07 0.61 -1.23 0.00 0.00 174.94 174.68 1axa n GLY 86 N 5.00 2.51 0.41 6.18 0.00 -1.14 -0.98 105.19 117.16 1axa n GLY 86 Ca -0.15 -2.17 0.20 0.00 0.00 0.00 0.00 46.02 43.91 1axa n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1axa h ARG 87 N 0.00 0.34 -0.18 1.61 3.08 -1.00 -0.80 114.38 117.42 1axa h ARG 87 Ca -0.04 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1axa h ARG 87 Cb 0.15 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1axa h ARG 87 CO 0.06 0.22 0.10 -2.95 -1.07 0.00 0.00 179.97 176.33 1axa h ASN 88 N 0.35 0.22 0.00 7.04 -1.07 -1.61 -2.78 115.58 117.73 1axa h ASN 88 Ca 0.45 -0.01 -0.29 0.00 0.07 0.00 0.00 56.30 56.53 1axa h ASN 88 Cb 1.22 -0.05 -0.05 0.00 -2.07 0.00 0.00 38.32 37.36 1axa h ASN 88 CO -0.15 0.17 -2.19 0.18 0.07 0.00 0.00 177.43 175.52 1axa n LEU 89 N -4.49 0.00 -0.05 6.14 4.77 -0.55 -4.35 117.00 118.47 1axa n LEU 89 Ca -0.00 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 1axa n LEU 89 Cb 0.09 0.39 0.44 0.00 -2.33 0.00 0.00 43.42 42.01 1axa n LEU 89 CO 0.35 0.39 1.18 -0.07 -1.33 0.00 0.00 177.39 177.91 1axa h LEU 90 N 0.00 0.46 -0.85 2.23 3.38 -1.08 0.15 115.31 119.60 1axa h LEU 90 Ca -0.43 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.43 1axa h LEU 90 Cb 1.97 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.60 1axa h LEU 90 CO 0.02 0.31 -0.29 0.71 0.09 0.00 0.00 178.44 179.28 1axa h THR 91 N 0.53 1.28 -0.28 0.22 1.35 -1.70 0.30 112.91 114.60 1axa h THR 91 Ca 0.21 -1.36 -0.05 0.00 -0.55 0.00 0.00 66.41 64.66 1axa h THR 91 Cb 0.18 1.40 -0.02 0.00 -1.73 0.00 0.00 68.15 67.99 1axa h THR 91 CO -0.06 0.43 -0.05 1.56 -0.25 0.00 0.00 175.52 177.16 1axa h GLN 92 N 0.45 0.44 -0.46 4.72 4.20 -0.91 -2.43 115.11 121.13 1axa h GLN 92 Ca 0.06 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1axa h GLN 92 Cb 0.74 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.46 1axa h GLN 92 CO 0.06 0.50 0.00 0.44 -0.67 0.00 0.00 178.83 179.16 1axa n ILE 93 N -4.27 0.60 -3.32 2.54 -5.35 -1.05 -4.91 119.36 103.60 1axa n ILE 93 Ca 0.01 -0.65 -0.18 0.00 -0.27 0.00 0.00 62.75 61.66 1axa n ILE 93 Cb 0.26 0.41 0.07 0.00 -1.74 0.00 0.00 39.64 38.63 1axa n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1axa n GLY 94 N 1.31 -0.25 3.71 3.28 0.00 -0.91 -4.97 105.19 107.35 1axa n GLY 94 Ca 0.17 0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 1axa n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1axa s THR 96 N 0.90 2.31 -0.22 0.00 -4.23 -1.26 -4.72 115.64 108.42 1axa s THR 96 Ca 0.43 -2.29 -0.07 0.00 -1.18 0.00 0.00 61.69 58.58 1axa s THR 96 Cb -0.19 -2.21 -0.03 0.00 1.34 0.00 0.00 72.50 71.41 1axa s THR 96 CO 0.22 -0.38 0.07 -0.22 -0.54 0.00 0.00 174.62 173.77 1axa s LEU 97 N -3.30 3.60 -0.06 4.79 2.96 -1.26 -5.07 118.68 120.34 1axa s LEU 97 Ca 0.27 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 54.10 1axa s LEU 97 Cb -0.05 -1.94 0.02 0.00 0.50 0.00 0.00 46.19 44.72 1axa s LEU 97 CO 0.12 0.06 -0.05 0.54 -1.32 0.00 0.00 176.35 175.70 1axa s ASN 98 N 1.07 1.38 0.00 3.68 2.20 -1.26 -5.29 114.94 116.72 1axa s ASN 98 Ca 0.04 -0.17 0.00 0.00 -0.94 0.00 0.00 52.86 51.79 1axa s ASN 98 Cb -0.14 -0.56 0.00 0.00 -2.00 0.00 0.00 41.25 38.55 1axa s ASN 98 CO 0.03 -0.08 0.45 2.22 -2.94 0.00 0.00 177.10 176.78