#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mui s GLN 2 N 0.00 3.34 -0.16 0.54 0.74 -1.26 -5.10 119.66 117.76 1mui s GLN 2 Ca 0.00 -0.30 0.00 0.00 0.05 0.00 0.00 55.36 55.12 1mui s GLN 2 Cb 0.00 -3.02 0.03 0.00 1.10 0.00 0.00 33.01 31.13 1mui s GLN 2 CO 0.00 0.65 -0.10 0.42 -0.55 0.00 0.00 175.29 175.71 1mui s ILE 3 N -0.69 1.37 0.73 -2.34 1.01 -1.26 -5.13 121.20 114.89 1mui s ILE 3 Ca 0.12 -0.67 -0.10 0.00 0.00 0.00 0.00 60.65 60.00 1mui s ILE 3 Cb -0.12 -1.41 0.05 0.00 0.01 0.00 0.00 42.46 40.99 1mui s ILE 3 CO 0.02 0.28 1.09 0.42 0.00 0.00 0.00 174.94 176.75 1mui s THR 4 N 1.54 2.77 -0.21 2.92 -4.23 -1.26 -5.01 115.64 112.16 1mui s THR 4 Ca 0.02 0.12 0.15 0.00 -1.18 0.00 0.00 61.69 60.81 1mui s THR 4 Cb -0.14 -3.22 0.61 0.00 1.34 0.00 0.00 72.50 71.09 1mui s THR 4 CO -0.09 -0.28 1.53 0.18 -0.54 0.00 0.00 174.62 175.42 1mui n LEU 5 N -3.06 4.48 0.00 4.79 4.77 -1.26 -4.51 117.00 122.22 1mui n LEU 5 Ca 0.07 -3.06 0.08 0.00 -0.03 0.00 0.00 56.01 53.07 1mui n LEU 5 Cb 0.59 -0.60 0.42 0.00 -2.33 0.00 0.00 43.42 41.51 1mui n LEU 5 CO 0.56 0.71 0.71 0.79 -1.33 0.00 0.00 177.39 178.83 1mui n TRP 6 N -0.27 0.00 -3.92 -1.77 7.02 -1.26 -4.68 117.44 112.56 1mui n TRP 6 Ca 0.25 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.64 1mui n TRP 6 Cb 1.01 -0.21 -0.07 0.00 -2.42 0.00 0.00 31.31 29.62 1mui n TRP 6 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1mui s GLN 7 N -2.42 1.08 0.13 -0.99 -0.21 -1.26 -5.12 119.66 110.87 1mui s GLN 7 Ca 0.18 -1.09 -0.31 0.00 0.02 0.00 0.00 55.36 54.15 1mui s GLN 7 Cb 0.11 0.37 -0.09 0.00 1.00 0.00 0.00 33.01 34.40 1mui s GLN 7 CO 0.23 -0.39 1.58 1.03 -2.12 0.00 0.00 175.29 175.62 1mui s ARG 8 N -3.93 4.22 -0.77 2.91 0.52 -1.26 -4.85 118.95 115.78 1mui s ARG 8 Ca 0.13 2.33 -0.24 0.00 -0.52 0.00 0.00 55.73 57.43 1mui s ARG 8 Cb 0.04 -3.31 -0.18 0.00 0.52 0.00 0.00 34.95 32.01 1mui s ARG 8 CO -0.03 -0.64 1.89 -0.35 0.02 0.00 0.00 175.30 176.19 1mui n PRO 9 N 4.52 1.20 -3.41 3.54 -0.04 -1.26 -4.89 135.00 134.66 1mui n PRO 9 Ca 0.14 -1.86 -0.38 0.00 -0.04 0.00 0.00 63.50 61.36 1mui n PRO 9 Cb 0.39 -3.12 -0.06 0.00 -0.04 0.00 0.00 33.50 30.67 1mui n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1mui s LEU 10 N 4.52 4.43 0.08 1.53 1.43 -1.26 -0.95 118.68 128.46 1mui s LEU 10 Ca 0.64 0.98 -0.02 0.00 -1.03 0.00 0.00 54.13 54.69 1mui s LEU 10 Cb 0.09 -2.67 -0.03 0.00 0.03 0.00 0.00 46.19 43.61 1mui s LEU 10 CO 0.16 0.23 0.04 0.54 0.23 0.00 0.00 176.35 177.55 1mui s VAL 11 N -0.62 0.18 -0.18 -1.59 0.11 -0.29 -4.97 120.40 113.03 1mui s VAL 11 Ca 0.25 -1.72 -0.15 0.00 -2.93 0.00 0.00 61.98 57.43 1mui s VAL 11 Cb -0.17 -1.62 -0.04 0.00 -1.53 0.00 0.00 36.38 33.02 1mui s VAL 11 CO 0.14 -0.80 0.35 0.42 -3.33 0.00 0.00 175.10 171.88 1mui s THR 12 N -3.94 5.24 0.31 5.04 -4.23 -1.26 -0.38 115.64 116.42 1mui s THR 12 Ca 0.11 0.64 0.10 0.00 -1.18 0.00 0.00 61.69 61.36 1mui s THR 12 Cb 0.07 -3.69 -0.05 0.00 1.34 0.00 0.00 72.50 70.17 1mui s THR 12 CO -0.07 0.31 -0.03 0.27 -0.54 0.00 0.00 174.62 174.56 1mui s ILE 13 N 0.97 2.82 -0.12 2.99 -4.36 -0.99 -1.65 121.20 120.87 1mui s ILE 13 Ca 0.18 -2.03 0.02 0.00 -0.26 0.00 0.00 60.65 58.56 1mui s ILE 13 Cb -0.14 -2.72 0.01 0.00 1.25 0.00 0.00 42.46 40.86 1mui s ILE 13 CO 0.07 -0.28 -0.18 -0.75 0.24 0.00 0.00 174.94 174.04 1mui s LYS 14 N -3.67 2.53 -0.19 0.37 2.20 -0.40 -1.79 119.74 118.79 1mui s LYS 14 Ca 0.33 -0.67 -0.10 0.00 -0.36 0.00 0.00 55.97 55.17 1mui s LYS 14 Cb -0.03 -2.10 0.07 0.00 -1.51 0.00 0.00 37.83 34.26 1mui s LYS 14 CO 0.19 -0.05 0.44 -1.50 -0.36 0.00 0.00 175.35 174.07 1mui s ILE 15 N 0.93 -0.12 -1.21 5.43 2.07 0.47 -1.38 121.20 127.40 1mui s ILE 15 Ca -0.07 0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.27 1mui s ILE 15 Cb -0.15 -0.66 0.00 0.00 0.13 0.00 0.00 42.46 41.78 1mui s ILE 15 CO -0.02 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.66 1mui n GLY 16 N 4.45 0.22 2.16 1.50 0.00 -1.26 -1.70 105.19 110.55 1mui n GLY 16 Ca -0.21 -0.35 -0.02 0.00 0.00 0.00 0.00 46.02 45.44 1mui n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mui n GLY 17 N -1.10 0.57 3.33 -0.02 0.00 -1.26 -5.02 105.19 101.69 1mui n GLY 17 Ca -0.15 -0.48 -0.25 0.00 0.00 0.00 0.00 46.02 45.14 1mui n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mui s GLN 18 N -1.47 1.25 -0.11 1.61 -0.21 -0.69 -5.14 119.66 114.90 1mui s GLN 18 Ca 0.00 -1.29 -0.03 0.00 0.02 0.00 0.00 55.36 54.06 1mui s GLN 18 Cb 0.00 -1.52 -0.03 0.00 1.00 0.00 0.00 33.01 32.45 1mui s GLN 18 CO 0.00 0.34 0.01 -0.51 -2.12 0.00 0.00 175.29 173.01 1mui s LEU 19 N -2.18 3.59 0.00 2.90 1.43 -1.26 -0.39 118.68 122.77 1mui s LEU 19 Ca 0.11 0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.33 1mui s LEU 19 Cb -0.09 -1.84 -0.00 0.00 0.03 0.00 0.00 46.19 44.29 1mui s LEU 19 CO 0.06 0.33 0.09 0.29 0.23 0.00 0.00 176.35 177.35 1mui n LYS 20 N 2.46 0.13 -3.87 1.70 5.02 -0.74 -5.01 118.16 117.86 1mui n LYS 20 Ca -0.18 -0.70 -0.27 0.00 -2.02 0.00 0.00 58.31 55.14 1mui n LYS 20 Cb 0.53 0.62 -0.17 0.00 -0.02 0.00 0.00 35.03 36.00 1mui n LYS 20 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1mui s GLU 21 N -2.24 1.29 0.05 1.97 2.02 -1.26 -2.35 118.70 118.18 1mui s GLU 21 Ca 0.08 -0.38 0.07 0.00 0.02 0.00 0.00 54.97 54.76 1mui s GLU 21 Cb 0.00 -1.81 -0.03 0.00 0.10 0.00 0.00 34.13 32.39 1mui s GLU 21 CO 0.06 -0.40 -0.19 0.00 0.02 0.00 0.00 175.26 174.74 1mui s ALA 22 N 1.71 2.56 -0.05 5.21 0.00 0.49 -4.34 121.76 127.33 1mui s ALA 22 Ca 0.02 -1.21 -0.22 0.00 0.00 0.00 0.00 51.96 50.55 1mui s ALA 22 Cb -0.14 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 1mui s ALA 22 CO -0.08 0.57 0.64 -1.17 0.00 0.00 0.00 175.76 175.72 1mui s LEU 23 N -1.45 4.34 -0.36 0.00 0.20 0.85 -1.14 118.68 121.12 1mui s LEU 23 Ca 0.14 1.13 -0.29 0.00 0.69 0.00 0.00 54.13 55.80 1mui s LEU 23 Cb -0.10 -2.98 0.01 0.00 -0.43 0.00 0.00 46.19 42.69 1mui s LEU 23 CO 0.05 -0.03 1.26 -0.76 -0.29 0.00 0.00 176.35 176.57 1mui s LEU 24 N 0.48 3.79 -0.29 -0.68 1.02 -0.13 -0.91 118.68 121.95 1mui s LEU 24 Ca 0.34 0.97 0.03 0.00 0.02 0.00 0.00 54.13 55.49 1mui s LEU 24 Cb -0.17 -3.54 0.08 0.00 0.02 0.00 0.00 46.19 42.57 1mui s LEU 24 CO 0.17 -1.15 -0.05 -0.62 0.02 0.00 0.00 176.35 174.72 1mui s ASP 25 N 2.77 4.55 0.35 2.29 3.68 -0.73 -4.80 116.67 124.78 1mui s ASP 25 Ca 0.54 -1.68 0.26 0.00 2.13 0.00 0.00 52.55 53.80 1mui s ASP 25 Cb -0.14 -1.56 0.82 0.00 -1.45 0.00 0.00 42.92 40.59 1mui s ASP 25 CO 0.25 -0.26 1.76 0.71 0.13 0.00 0.00 175.17 177.76 1mui h THR 26 N 6.71 0.00 -0.01 1.71 1.35 -1.94 -2.76 112.91 117.97 1mui h THR 26 Ca -0.13 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 1mui h THR 26 Cb 1.03 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 1mui h THR 26 CO 0.48 0.00 -0.02 0.61 -0.25 0.00 0.00 175.52 176.34 1mui n GLY 27 N 0.73 -0.63 3.52 5.82 0.00 -1.26 -4.78 105.19 108.59 1mui n GLY 27 Ca 0.03 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 1mui n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mui s ALA 28 N -2.10 3.15 0.12 4.61 0.00 -1.04 -4.98 121.76 121.51 1mui s ALA 28 Ca 0.40 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.48 1mui s ALA 28 Cb 0.21 -1.78 -0.16 0.00 0.00 0.00 0.00 23.12 21.39 1mui s ALA 28 CO 0.38 0.02 1.26 -0.44 0.00 0.00 0.00 175.76 176.98 1mui h ASP 29 N 7.09 0.30 -0.83 0.00 3.45 -1.86 0.34 116.42 124.90 1mui h ASP 29 Ca -0.35 -0.28 -0.66 0.00 0.43 0.00 0.00 57.03 56.17 1mui h ASP 29 Cb 1.18 -0.09 -0.13 0.00 -0.56 0.00 0.00 39.33 39.72 1mui h ASP 29 CO 0.64 1.16 -0.52 -1.81 -1.57 0.00 0.00 179.24 177.14 1mui s ASP 30 N -6.99 3.91 -0.17 6.45 1.01 -1.26 -3.23 116.67 116.40 1mui s ASP 30 Ca -0.03 -1.66 -0.02 0.00 0.71 0.00 0.00 52.55 51.55 1mui s ASP 30 Cb 0.09 0.51 -0.02 0.00 1.01 0.00 0.00 42.92 44.51 1mui s ASP 30 CO 0.85 -0.86 -0.07 -0.89 0.21 0.00 0.00 175.17 174.41 1mui s THR 31 N -2.93 3.42 -0.05 -1.27 2.01 -1.26 -2.66 115.64 112.90 1mui s THR 31 Ca 0.09 -0.51 0.03 0.00 0.31 0.00 0.00 61.69 61.61 1mui s THR 31 Cb 0.02 -2.50 0.00 0.00 0.01 0.00 0.00 72.50 70.03 1mui s THR 31 CO 0.05 0.48 -0.15 0.54 -0.69 0.00 0.00 174.62 174.85 1mui s VAL 32 N 0.74 1.26 0.16 3.82 0.11 -0.86 0.41 120.40 126.04 1mui s VAL 32 Ca -0.03 -0.60 0.09 0.00 -2.93 0.00 0.00 61.98 58.50 1mui s VAL 32 Cb -0.15 -1.11 -0.04 0.00 -1.53 0.00 0.00 36.38 33.55 1mui s VAL 32 CO 0.02 0.37 -0.19 -0.76 -3.33 0.00 0.00 175.10 171.21 1mui s LEU 33 N 0.24 2.43 0.78 2.54 1.43 0.37 -0.53 118.68 125.94 1mui s LEU 33 Ca -0.07 -0.85 -0.14 0.00 -1.03 0.00 0.00 54.13 52.04 1mui s LEU 33 Cb -0.12 -0.85 0.07 0.00 0.03 0.00 0.00 46.19 45.31 1mui s LEU 33 CO 0.03 -0.02 1.22 -1.61 0.23 0.00 0.00 176.35 176.20 1mui s GLU 34 N -2.71 1.77 -0.15 1.70 2.02 -1.26 -1.66 118.70 118.41 1mui s GLU 34 Ca 0.15 1.82 -0.39 0.00 0.02 0.00 0.00 54.97 56.58 1mui s GLU 34 Cb -0.06 -1.78 -0.16 0.00 0.10 0.00 0.00 34.13 32.23 1mui s GLU 34 CO 0.07 -2.13 1.62 -1.91 0.02 0.00 0.00 175.26 172.92 1mui n GLU 35 N -3.07 1.19 -3.75 1.61 4.07 -1.11 -4.63 120.64 114.95 1mui n GLU 35 Ca 0.14 0.43 -0.10 0.00 -0.06 0.00 0.00 57.16 57.58 1mui n GLU 35 Cb 0.50 -2.11 -0.05 0.00 -0.06 0.00 0.00 31.44 29.72 1mui n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1mui s MET 36 N 2.54 1.06 -0.20 5.31 0.23 -1.26 -5.05 119.30 121.94 1mui s MET 36 Ca 0.94 -0.86 -0.28 0.00 -1.03 0.00 0.00 55.69 54.46 1mui s MET 36 Cb -1.02 0.43 -0.00 0.00 -1.53 0.00 0.00 34.83 32.71 1mui s MET 36 CO 0.59 -0.40 0.96 -1.54 -2.03 0.00 0.00 175.02 172.60 1mui s SER 37 N -2.85 7.05 -0.04 -1.18 1.04 -1.26 -5.03 113.70 111.43 1mui s SER 37 Ca 0.06 1.31 0.02 0.00 0.48 0.00 0.00 55.95 57.83 1mui s SER 37 Cb 0.02 -2.51 0.01 0.00 0.10 0.00 0.00 66.02 63.64 1mui s SER 37 CO -0.09 -0.55 -0.09 -0.22 0.98 0.00 0.00 173.24 173.27 1mui s LEU 38 N 2.70 1.70 0.52 2.42 2.96 -1.26 -4.97 118.68 122.75 1mui s LEU 38 Ca 0.42 -0.21 -0.18 0.00 -0.22 0.00 0.00 54.13 53.95 1mui s LEU 38 Cb -0.16 -0.61 -0.07 0.00 0.50 0.00 0.00 46.19 45.85 1mui s LEU 38 CO 0.10 0.05 1.01 -2.16 -1.32 0.00 0.00 176.35 174.02 1mui s PRO 39 N 0.38 3.81 0.00 0.98 0.04 -1.26 -4.94 135.00 134.00 1mui s PRO 39 Ca -0.07 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.09 1mui s PRO 39 Cb -0.11 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1mui s PRO 39 CO 0.01 -0.40 0.00 0.41 0.04 0.00 0.00 177.00 177.06 1mui n GLY 40 N -1.04 0.85 3.90 0.56 0.00 -1.26 -5.02 105.19 103.19 1mui n GLY 40 Ca 0.08 -2.04 -0.28 0.00 0.00 0.00 0.00 46.02 43.78 1mui n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mui s ARG 41 N -1.55 3.48 0.00 1.61 3.00 -1.26 -5.10 118.95 119.13 1mui s ARG 41 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 55.73 56.02 1mui s ARG 41 Cb 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 34.95 32.65 1mui s ARG 41 CO 0.00 -0.35 0.00 -2.67 0.00 0.00 0.00 175.30 172.28 1mui n TRP 42 N -2.41 0.00 -3.70 -0.53 4.27 -1.26 -4.79 117.44 109.02 1mui n TRP 42 Ca 0.02 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 53.53 1mui n TRP 42 Cb 0.55 0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 30.39 1mui n TRP 42 CO 0.00 0.00 0.00 0.15 -2.29 0.00 0.00 177.69 175.55 1mui s LYS 43 N -1.65 0.38 0.53 -2.67 1.02 -0.87 -4.91 119.74 111.58 1mui s LYS 43 Ca 0.00 0.78 -0.22 0.00 0.02 0.00 0.00 55.97 56.55 1mui s LYS 43 Cb 0.00 -0.03 -0.05 0.00 -0.52 0.00 0.00 37.83 37.23 1mui s LYS 43 CO 0.00 -0.16 1.34 -1.25 -0.92 0.00 0.00 175.35 174.36 1mui s PRO 44 N 1.40 3.23 0.14 -1.68 0.04 -1.26 0.69 135.00 137.56 1mui s PRO 44 Ca -0.10 2.20 -0.24 0.00 0.04 0.00 0.00 61.00 62.90 1mui s PRO 44 Cb -0.09 -2.29 0.07 0.00 0.04 0.00 0.00 34.50 32.23 1mui s PRO 44 CO -0.13 -1.10 0.69 0.21 0.04 0.00 0.00 177.00 176.71 1mui s LYS 45 N -2.86 1.25 -0.05 4.56 2.20 -0.55 -4.79 119.74 119.49 1mui s LYS 45 Ca 0.70 -0.51 0.02 0.00 -0.36 0.00 0.00 55.97 55.82 1mui s LYS 45 Cb -0.39 0.54 0.01 0.00 -1.51 0.00 0.00 37.83 36.48 1mui s LYS 45 CO 0.47 -0.55 -0.10 -1.64 -0.36 0.00 0.00 175.35 173.16 1mui s MET 46 N -3.62 1.36 0.04 4.03 -1.94 -1.26 -1.15 119.30 116.75 1mui s MET 46 Ca 0.04 -0.34 0.08 0.00 -1.71 0.00 0.00 55.69 53.76 1mui s MET 46 Cb -0.02 -1.18 -0.03 0.00 2.01 0.00 0.00 34.83 35.61 1mui s MET 46 CO -0.09 0.04 -0.23 0.96 -0.01 0.00 0.00 175.02 175.70 1mui s ILE 47 N 0.56 2.44 -0.35 2.53 -4.36 -1.13 -4.95 121.20 115.93 1mui s ILE 47 Ca -0.11 -1.26 -0.05 0.00 -0.26 0.00 0.00 60.65 58.97 1mui s ILE 47 Cb -0.14 -1.98 0.05 0.00 1.25 0.00 0.00 42.46 41.65 1mui s ILE 47 CO 0.02 0.38 0.12 -0.83 0.24 0.00 0.00 174.94 174.86 1mui s GLY 48 N -1.26 1.86 0.00 6.27 0.00 -1.26 -1.97 107.32 110.96 1mui s GLY 48 Ca 0.13 -1.89 0.00 0.00 0.00 0.00 0.00 44.72 42.95 1mui s GLY 48 CO 0.03 0.81 0.00 0.61 0.00 0.00 0.00 173.10 174.55 1mui n GLY 49 N 4.76 1.57 0.24 0.20 0.00 0.24 -4.95 105.19 107.25 1mui n GLY 49 Ca -0.11 -1.95 -0.10 0.00 0.00 0.00 0.00 46.02 43.86 1mui n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1mui h ILE 50 N 0.00 1.25 0.00 -0.61 6.09 -2.02 -3.13 117.51 119.10 1mui h ILE 50 Ca 0.00 -0.98 0.00 0.00 -1.37 0.00 0.00 64.86 62.51 1mui h ILE 50 Cb 0.00 0.98 0.00 0.00 0.47 0.00 0.00 36.82 38.27 1mui h ILE 50 CO 0.00 0.34 -0.27 0.61 -3.07 0.00 0.00 178.15 175.77 1mui n GLY 51 N -0.45 -1.48 0.00 8.18 0.00 -1.26 -5.03 105.19 105.15 1mui n GLY 51 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1mui n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mui n GLY 52 N 1.41 0.31 3.79 -0.02 0.00 -1.18 -5.13 105.19 104.37 1mui n GLY 52 Ca 0.05 -1.25 -0.23 0.00 0.00 0.00 0.00 46.02 44.60 1mui n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mui s PHE 53 N -4.00 2.70 -0.01 1.61 0.40 -1.26 0.81 117.98 118.23 1mui s PHE 53 Ca 0.00 -0.47 -0.10 0.00 -0.60 0.00 0.00 56.93 55.76 1mui s PHE 53 Cb 0.00 -1.91 0.01 0.00 0.51 0.00 0.00 43.02 41.63 1mui s PHE 53 CO 0.00 0.14 0.21 0.96 0.70 0.00 0.00 175.22 177.23 1mui s ILE 54 N -2.48 0.07 -0.47 0.64 -4.36 -0.83 -4.94 121.20 108.82 1mui s ILE 54 Ca 0.42 -0.57 -0.19 0.00 -0.26 0.00 0.00 60.65 60.05 1mui s ILE 54 Cb -0.01 -0.49 0.04 0.00 1.25 0.00 0.00 42.46 43.25 1mui s ILE 54 CO 0.25 -0.31 0.59 -0.54 0.24 0.00 0.00 174.94 175.17 1mui s LYS 55 N -1.26 3.16 0.43 0.37 1.02 -1.26 -2.85 119.74 119.35 1mui s LYS 55 Ca -0.13 -0.73 0.07 0.00 0.02 0.00 0.00 55.97 55.20 1mui s LYS 55 Cb -0.06 -4.03 -0.05 0.00 -0.52 0.00 0.00 37.83 33.17 1mui s LYS 55 CO 0.02 -1.09 0.18 0.14 -0.92 0.00 0.00 175.35 173.68 1mui s VAL 56 N 2.58 2.20 -0.15 3.17 -7.23 -0.30 -4.60 120.40 116.07 1mui s VAL 56 Ca 0.16 -1.71 -0.02 0.00 -1.81 0.00 0.00 61.98 58.60 1mui s VAL 56 Cb -0.17 -2.91 -0.02 0.00 0.56 0.00 0.00 36.38 33.83 1mui s VAL 56 CO 0.14 0.00 -0.08 -0.13 -0.31 0.00 0.00 175.10 174.72 1mui s ARG 57 N -3.92 3.54 -0.31 4.82 0.52 0.25 -1.49 118.95 122.37 1mui s ARG 57 Ca 0.39 -0.59 -0.22 0.00 -0.52 0.00 0.00 55.73 54.79 1mui s ARG 57 Cb 0.04 -2.80 -0.00 0.00 0.52 0.00 0.00 34.95 32.71 1mui s ARG 57 CO 0.21 0.22 0.69 -1.14 0.02 0.00 0.00 175.30 175.31 1mui s GLN 58 N 0.39 3.89 -0.17 3.54 0.74 0.22 -1.59 119.66 126.67 1mui s GLN 58 Ca -0.07 0.38 -0.02 0.00 0.05 0.00 0.00 55.36 55.70 1mui s GLN 58 Cb -0.15 -3.74 -0.01 0.00 1.10 0.00 0.00 33.01 30.21 1mui s GLN 58 CO 0.04 -0.64 -0.08 0.71 -0.55 0.00 0.00 175.29 174.77 1mui s TYR 59 N 2.77 2.90 0.25 1.67 1.51 -0.33 -2.05 117.35 124.07 1mui s TYR 59 Ca 0.28 -0.76 0.07 0.00 -1.01 0.00 0.00 57.07 55.65 1mui s TYR 59 Cb -0.14 -1.97 -0.04 0.00 -0.11 0.00 0.00 41.96 39.70 1mui s TYR 59 CO 0.13 -0.35 0.17 -0.51 -1.11 0.00 0.00 175.55 173.88 1mui s ASP 60 N 0.87 5.42 -1.45 2.29 1.11 -1.26 0.14 116.67 123.79 1mui s ASP 60 Ca -0.02 -0.29 -0.10 0.00 0.18 0.00 0.00 52.55 52.32 1mui s ASP 60 Cb -0.15 -1.35 0.05 0.00 1.07 0.00 0.00 42.92 42.55 1mui s ASP 60 CO 0.01 -0.03 0.96 0.00 1.18 0.00 0.00 175.17 177.28 1mui n GLN 61 N -1.13 -5.85 -3.88 8.23 1.13 -1.18 -4.94 117.38 109.76 1mui n GLN 61 Ca -0.08 0.65 -0.36 0.00 -1.94 0.00 0.00 57.00 55.28 1mui n GLN 61 Cb 0.58 -5.50 -0.12 0.00 0.11 0.00 0.00 30.24 25.31 1mui n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1mui s ILE 62 N -3.39 4.46 -0.16 5.09 -1.09 -0.73 -4.88 121.20 120.50 1mui s ILE 62 Ca 0.49 -0.13 -0.28 0.00 -2.23 0.00 0.00 60.65 58.50 1mui s ILE 62 Cb -0.24 -3.05 -0.01 0.00 -1.58 0.00 0.00 42.46 37.58 1mui s ILE 62 CO 0.81 0.38 0.94 -0.22 -1.23 0.00 0.00 174.94 175.62 1mui s LEU 63 N 1.16 4.18 -0.03 2.97 2.96 -1.26 -2.00 118.68 126.67 1mui s LEU 63 Ca 0.04 1.35 0.07 0.00 -0.22 0.00 0.00 54.13 55.37 1mui s LEU 63 Cb -0.14 -3.42 -0.02 0.00 0.50 0.00 0.00 46.19 43.11 1mui s LEU 63 CO 0.03 -0.48 -0.24 -0.63 -1.32 0.00 0.00 176.35 173.72 1mui s ILE 64 N 2.33 1.91 -0.53 6.68 1.01 0.14 -4.54 121.20 128.20 1mui s ILE 64 Ca 0.43 -1.02 -0.03 0.00 0.00 0.00 0.00 60.65 60.03 1mui s ILE 64 Cb -0.17 -1.59 0.14 0.00 0.01 0.00 0.00 42.46 40.85 1mui s ILE 64 CO 0.13 0.54 0.34 -0.70 0.00 0.00 0.00 174.94 175.25 1mui s GLU 65 N -0.45 2.33 -0.22 2.79 2.12 -0.48 -0.70 118.70 124.09 1mui s GLU 65 Ca 0.06 -2.22 -0.25 0.00 0.36 0.00 0.00 54.97 52.92 1mui s GLU 65 Cb -0.10 -3.68 -0.01 0.00 0.26 0.00 0.00 34.13 30.60 1mui s GLU 65 CO 0.00 -1.13 0.84 0.42 -0.54 0.00 0.00 175.26 174.85 1mui s ILE 66 N 0.47 4.84 -1.43 -3.70 1.01 0.50 -1.27 121.20 121.62 1mui s ILE 66 Ca 0.13 1.60 -0.01 0.00 0.00 0.00 0.00 60.65 62.37 1mui s ILE 66 Cb -0.21 -4.13 0.01 0.00 0.01 0.00 0.00 42.46 38.13 1mui s ILE 66 CO -0.04 -0.05 0.02 0.00 0.00 0.00 0.00 174.94 174.88 1mui n GLY 68 N -2.40 2.48 3.69 0.00 0.00 -1.26 -5.01 105.19 102.70 1mui n GLY 68 Ca -0.29 -0.53 -0.44 0.00 0.00 0.00 0.00 46.02 44.76 1mui n GLY 68 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1mui n HIS 69 N 0.00 2.48 -3.49 1.61 -0.00 0.29 -4.92 115.22 111.19 1mui n HIS 69 Ca 0.00 0.19 -0.38 0.00 -0.00 0.00 0.00 57.72 57.54 1mui n HIS 69 Cb 0.00 -2.59 -0.06 0.00 -0.00 0.00 0.00 29.99 27.34 1mui n HIS 69 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1mui s LYS 70 N 0.84 4.06 0.09 -0.41 1.02 -1.26 -0.37 119.74 123.71 1mui s LYS 70 Ca 0.76 0.32 -0.12 0.00 0.02 0.00 0.00 55.97 56.95 1mui s LYS 70 Cb -0.60 -3.31 0.02 0.00 -0.52 0.00 0.00 37.83 33.41 1mui s LYS 70 CO 0.37 0.48 0.28 0.00 -0.92 0.00 0.00 175.35 175.56 1mui s ALA 71 N -0.35 -0.56 -0.03 5.17 0.00 0.12 -4.98 121.76 121.13 1mui s ALA 71 Ca 0.22 -0.29 0.01 0.00 0.00 0.00 0.00 51.96 51.90 1mui s ALA 71 Cb -0.15 0.52 0.01 0.00 0.00 0.00 0.00 23.12 23.50 1mui s ALA 71 CO 0.10 -0.53 -0.05 0.42 0.00 0.00 0.00 175.76 175.69 1mui s ILE 72 N -3.56 0.52 0.00 0.00 1.01 -1.26 0.29 121.20 118.20 1mui s ILE 72 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.49 1mui s ILE 72 Cb 0.03 -0.51 0.00 0.00 0.01 0.00 0.00 42.46 41.99 1mui s ILE 72 CO -0.10 0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.64 1mui n GLY 73 N 3.58 2.24 3.60 6.18 0.00 -0.85 -4.89 105.19 115.05 1mui n GLY 73 Ca -0.21 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.66 1mui n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mui s THR 74 N -2.72 5.01 -0.14 2.61 2.01 -1.26 -1.78 115.64 119.38 1mui s THR 74 Ca 0.00 0.74 -0.03 0.00 0.31 0.00 0.00 61.69 62.71 1mui s THR 74 Cb 0.00 -3.92 -0.03 0.00 0.01 0.00 0.00 72.50 68.56 1mui s THR 74 CO 0.00 -0.07 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.14 1mui s VAL 75 N 2.43 3.91 -0.18 3.82 1.01 0.12 -4.32 120.40 127.19 1mui s VAL 75 Ca 0.22 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 61.76 1mui s VAL 75 Cb -0.15 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 1mui s VAL 75 CO 0.11 0.51 0.10 -0.76 0.00 0.00 0.00 175.10 175.06 1mui s LEU 76 N 0.18 4.04 -0.16 3.92 1.43 0.17 -1.19 118.68 127.06 1mui s LEU 76 Ca -0.02 0.19 -0.01 0.00 -1.03 0.00 0.00 54.13 53.26 1mui s LEU 76 Cb -0.14 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 1mui s LEU 76 CO 0.03 0.21 -0.11 -0.69 0.23 0.00 0.00 176.35 176.02 1mui s VAL 77 N 0.16 3.10 0.00 -1.59 1.01 -0.62 0.14 120.40 122.60 1mui s VAL 77 Ca 0.07 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1mui s VAL 77 Cb -0.12 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.92 1mui s VAL 77 CO -0.00 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1mui n GLY 78 N 3.98 1.25 2.15 4.51 0.00 -0.66 -0.58 105.19 115.84 1mui n GLY 78 Ca -0.18 -0.88 -0.19 0.00 0.00 0.00 0.00 46.02 44.77 1mui n GLY 78 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1mui n PRO 79 N 0.00 2.31 -3.36 1.61 -0.02 -1.26 -2.75 135.00 131.52 1mui n PRO 79 Ca 0.00 -1.27 -0.33 0.00 -2.02 0.00 0.00 63.50 59.89 1mui n PRO 79 Cb 0.00 -2.20 -0.06 0.00 -0.02 0.00 0.00 33.50 31.23 1mui n PRO 79 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1mui s THR 80 N 1.58 4.88 0.28 3.45 -1.32 -1.26 -5.00 115.64 118.24 1mui s THR 80 Ca 0.62 0.62 0.13 0.00 -1.21 0.00 0.00 61.69 61.85 1mui s THR 80 Cb 0.25 -3.64 0.05 0.00 -1.51 0.00 0.00 72.50 67.65 1mui s THR 80 CO -0.02 -0.02 1.71 -0.65 -2.21 0.00 0.00 174.62 173.43 1mui h PRO 81 N 2.73 0.00 -3.83 7.08 0.11 -1.99 -3.43 132.00 132.67 1mui h PRO 81 Ca -0.47 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 1mui h PRO 81 Cb 1.18 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.12 1mui h PRO 81 CO 0.68 0.49 -0.51 0.14 -0.21 0.00 0.00 178.00 178.59 1mui s VAL 82 N -3.77 0.14 0.10 3.15 -7.23 -1.26 -5.07 120.40 106.46 1mui s VAL 82 Ca -0.01 -1.16 -0.30 0.00 -1.81 0.00 0.00 61.98 58.69 1mui s VAL 82 Cb 0.13 -1.03 -0.06 0.00 0.56 0.00 0.00 36.38 35.98 1mui s VAL 82 CO 0.73 -0.64 1.16 0.20 -0.31 0.00 0.00 175.10 176.24 1mui s ASN 83 N -2.32 7.15 -0.12 4.85 0.01 -1.26 -4.68 114.94 118.57 1mui s ASN 83 Ca -0.02 2.03 0.02 0.00 -0.71 0.00 0.00 52.86 54.18 1mui s ASN 83 Cb 0.01 -2.59 0.01 0.00 0.41 0.00 0.00 41.25 39.09 1mui s ASN 83 CO -0.06 -0.38 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.35 1mui s ILE 84 N 0.62 1.63 -0.53 0.60 1.01 0.31 -0.11 121.20 124.72 1mui s ILE 84 Ca 0.55 -0.71 -0.18 0.00 0.00 0.00 0.00 60.65 60.31 1mui s ILE 84 Cb -0.29 -1.48 0.08 0.00 0.01 0.00 0.00 42.46 40.78 1mui s ILE 84 CO 0.31 0.47 0.61 -0.63 0.00 0.00 0.00 174.94 175.70 1mui s ILE 85 N 1.03 4.94 0.82 2.92 -1.09 -0.09 -2.03 121.20 127.69 1mui s ILE 85 Ca -0.05 -0.85 -0.10 0.00 -2.23 0.00 0.00 60.65 57.42 1mui s ILE 85 Cb -0.15 -4.34 0.12 0.00 -1.58 0.00 0.00 42.46 36.51 1mui s ILE 85 CO -0.03 -0.89 1.15 -0.83 -1.23 0.00 0.00 174.94 173.11 1mui s GLY 86 N 3.09 1.71 0.64 6.18 0.00 -1.09 -1.78 107.32 116.08 1mui s GLY 86 Ca 0.11 -1.08 0.37 0.00 0.00 0.00 0.00 44.72 44.13 1mui s GLY 86 CO 0.08 -0.51 2.27 3.21 0.00 0.00 0.00 173.10 178.15 1mui h ARG 87 N -1.04 0.00 -0.07 2.90 3.08 -1.00 -0.62 114.38 117.64 1mui h ARG 87 Ca -0.44 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.56 1mui h ARG 87 Cb 1.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.32 1mui h ARG 87 CO 0.51 0.00 -0.21 -2.95 -1.07 0.00 0.00 179.97 176.25 1mui h ASN 88 N 0.00 0.10 0.11 7.04 -1.07 -1.82 -2.57 115.58 117.37 1mui h ASN 88 Ca 0.01 -0.02 -0.36 0.00 0.07 0.00 0.00 56.30 55.99 1mui h ASN 88 Cb 0.12 -0.03 -0.06 0.00 -2.07 0.00 0.00 38.32 36.29 1mui h ASN 88 CO -0.00 0.32 -2.23 0.18 0.07 0.00 0.00 177.43 175.77 1mui n LEU 89 N -4.24 1.64 -0.06 6.14 4.77 -0.43 -4.42 117.00 120.40 1mui n LEU 89 Ca -0.02 0.06 0.04 0.00 -0.03 0.00 0.00 56.01 56.06 1mui n LEU 89 Cb 0.30 -0.33 0.38 0.00 -2.33 0.00 0.00 43.42 41.45 1mui n LEU 89 CO 0.38 0.70 1.18 -0.07 -1.33 0.00 0.00 177.39 178.25 1mui h LEU 90 N 0.01 0.56 -0.31 2.23 3.38 -1.10 -1.77 115.31 118.32 1mui h LEU 90 Ca -0.49 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1mui h LEU 90 Cb 2.05 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.66 1mui h LEU 90 CO 0.01 0.40 0.00 0.35 0.09 0.00 0.00 178.44 179.29 1mui n THR 91 N -4.46 0.68 0.04 0.22 -2.24 -0.97 -1.42 114.28 106.13 1mui n THR 91 Ca 0.05 -0.04 -0.06 0.00 -2.27 0.00 0.00 64.05 61.73 1mui n THR 91 Cb 0.07 -0.84 -0.11 0.00 -2.10 0.00 0.00 70.33 67.34 1mui n THR 91 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1mui h GLN 92 N 0.00 0.00 -0.02 -0.78 4.20 -1.53 -3.23 115.11 113.76 1mui h GLN 92 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1mui h GLN 92 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1mui h GLN 92 CO 0.00 0.79 -0.12 0.44 -0.67 0.00 0.00 178.83 179.27 1mui n ILE 93 N -3.24 0.00 -1.92 2.54 -5.35 -1.16 -4.95 119.36 105.28 1mui n ILE 93 Ca -0.05 -0.26 -0.03 0.00 -0.27 0.00 0.00 62.75 62.14 1mui n ILE 93 Cb 0.95 0.73 -0.00 0.00 -1.74 0.00 0.00 39.64 39.58 1mui n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1mui n GLY 94 N 1.28 0.30 3.71 3.28 0.00 -1.04 -5.01 105.19 107.71 1mui n GLY 94 Ca 0.15 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 1mui n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mui s THR 96 N 1.06 1.05 -0.03 0.00 -4.23 -1.26 -4.73 115.64 107.50 1mui s THR 96 Ca 0.61 -0.90 -0.16 0.00 -1.18 0.00 0.00 61.69 60.06 1mui s THR 96 Cb -0.32 -0.95 -0.05 0.00 1.34 0.00 0.00 72.50 72.52 1mui s THR 96 CO 0.30 0.05 0.44 -0.22 -0.54 0.00 0.00 174.62 174.64 1mui s LEU 97 N -0.97 4.41 0.05 4.79 2.96 -1.26 -5.08 118.68 123.58 1mui s LEU 97 Ca 0.02 0.94 -0.01 0.00 -0.22 0.00 0.00 54.13 54.85 1mui s LEU 97 Cb -0.07 -2.65 -0.04 0.00 0.50 0.00 0.00 46.19 43.94 1mui s LEU 97 CO 0.01 0.21 -0.03 0.20 -1.32 0.00 0.00 176.35 175.42 1mui s ASN 98 N -0.51 0.46 0.00 3.68 0.01 -1.26 -5.29 114.94 112.02 1mui s ASN 98 Ca 0.25 -0.94 0.00 0.00 -0.71 0.00 0.00 52.86 51.46 1mui s ASN 98 Cb -0.16 0.19 0.00 0.00 0.41 0.00 0.00 41.25 41.69 1mui s ASN 98 CO 0.13 -0.57 0.00 2.22 -1.51 0.00 0.00 177.10 177.37