#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oni s SER 3 N 0.00 5.96 0.16 -3.46 0.15 -1.26 -5.01 113.70 110.24 1oni s SER 3 Ca 0.00 1.93 -0.11 0.00 0.70 0.00 0.00 55.95 58.48 1oni s SER 3 Cb 0.00 -2.52 -0.07 0.00 -1.71 0.00 0.00 66.02 61.72 1oni s SER 3 CO 0.00 -1.55 0.50 -0.76 1.20 0.00 0.00 173.24 172.62 1oni s LEU 4 N 6.51 4.27 -0.15 3.45 1.43 -1.26 -5.06 118.68 127.86 1oni s LEU 4 Ca 0.88 0.91 -0.14 0.00 -1.03 0.00 0.00 54.13 54.75 1oni s LEU 4 Cb -0.32 -3.36 -0.05 0.00 0.03 0.00 0.00 46.19 42.49 1oni s LEU 4 CO 0.35 0.05 0.29 -0.63 0.23 0.00 0.00 176.35 176.64 1oni s ILE 5 N -1.60 5.30 -0.11 -0.59 -1.09 -1.26 -5.02 121.20 116.83 1oni s ILE 5 Ca 0.41 0.55 -0.02 0.00 -2.23 0.00 0.00 60.65 59.36 1oni s ILE 5 Cb -0.13 -3.63 -0.03 0.00 -1.58 0.00 0.00 42.46 37.09 1oni s ILE 5 CO 0.20 0.40 -0.04 -0.60 -1.23 0.00 0.00 174.94 173.67 1oni s ARG 6 N 0.39 3.21 -0.11 2.79 3.52 -1.26 -3.75 118.95 123.75 1oni s ARG 6 Ca 0.17 -0.51 0.01 0.00 -0.13 0.00 0.00 55.73 55.27 1oni s ARG 6 Cb -0.13 -2.77 0.02 0.00 -1.56 0.00 0.00 34.95 30.51 1oni s ARG 6 CO 0.04 0.48 -0.13 1.03 -0.81 0.00 0.00 175.30 175.91 1oni s ARG 7 N -0.29 2.03 -0.29 5.12 0.52 0.24 -4.99 118.95 121.30 1oni s ARG 7 Ca 0.05 -0.49 -0.27 0.00 -0.52 0.00 0.00 55.73 54.50 1oni s ARG 7 Cb -0.13 -1.79 0.01 0.00 0.52 0.00 0.00 34.95 33.56 1oni s ARG 7 CO 0.02 -0.10 0.98 0.08 0.02 0.00 0.00 175.30 176.30 1oni s VAL 8 N 1.12 4.64 0.01 3.52 1.01 -1.26 -0.71 120.40 128.72 1oni s VAL 8 Ca -0.05 1.67 -0.27 0.00 0.00 0.00 0.00 61.98 63.34 1oni s VAL 8 Cb -0.14 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 1oni s VAL 8 CO -0.03 -0.32 0.85 -0.63 0.00 0.00 0.00 175.10 174.97 1oni s ILE 9 N 3.32 4.84 -0.12 2.22 -1.09 0.36 -5.00 121.20 125.74 1oni s ILE 9 Ca 0.41 1.79 -0.05 0.00 -2.23 0.00 0.00 60.65 60.57 1oni s ILE 9 Cb -0.14 -4.19 0.06 0.00 -1.58 0.00 0.00 42.46 36.61 1oni s ILE 9 CO 0.12 0.25 0.27 -0.55 -1.23 0.00 0.00 174.94 173.80 1oni s SER 10 N 0.58 -0.04 -0.00 3.58 0.15 -1.26 -3.57 113.70 113.13 1oni s SER 10 Ca 0.44 0.59 0.01 0.00 0.70 0.00 0.00 55.95 57.69 1oni s SER 10 Cb -0.20 0.56 -0.00 0.00 -1.71 0.00 0.00 66.02 64.67 1oni s SER 10 CO 0.24 -0.20 -0.03 0.28 1.20 0.00 0.00 173.24 174.73 1oni s THR 11 N 1.75 0.26 -0.62 6.45 -1.32 -1.26 -5.00 115.64 115.90 1oni s THR 11 Ca -0.05 -0.14 0.23 0.00 -1.21 0.00 0.00 61.69 60.52 1oni s THR 11 Cb -0.11 -0.22 0.24 0.00 -1.51 0.00 0.00 72.50 70.90 1oni s THR 11 CO -0.09 0.07 1.70 0.00 -2.21 0.00 0.00 174.62 174.09 1oni n ALA 12 N 2.99 1.80 1.95 11.08 0.00 -1.26 -3.00 120.51 134.07 1oni n ALA 12 Ca -0.13 0.04 0.16 0.00 0.00 0.00 0.00 53.44 53.51 1oni n ALA 12 Cb 0.59 -1.39 0.89 0.00 0.00 0.00 0.00 19.45 19.54 1oni n ALA 12 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1oni n LYS 13 N -2.12 1.07 -4.32 0.00 5.02 -1.26 -4.71 118.16 111.84 1oni n LYS 13 Ca 0.03 -0.10 -0.17 0.00 -2.02 0.00 0.00 58.31 56.05 1oni n LYS 13 Cb 0.26 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.68 1oni n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1oni s ALA 14 N -2.00 1.81 0.28 7.82 0.00 -1.16 -4.87 121.76 123.64 1oni s ALA 14 Ca 0.46 -1.65 -0.30 0.00 0.00 0.00 0.00 51.96 50.48 1oni s ALA 14 Cb 0.22 0.10 -0.12 0.00 0.00 0.00 0.00 23.12 23.32 1oni s ALA 14 CO 0.36 -0.07 1.47 -2.30 0.00 0.00 0.00 175.76 175.22 1oni n PRO 15 N -0.34 2.35 -1.97 0.00 -0.02 -1.26 -4.86 135.00 128.89 1oni n PRO 15 Ca -0.08 0.83 -0.37 0.00 -2.02 0.00 0.00 63.50 61.86 1oni n PRO 15 Cb 0.61 -2.53 0.02 0.00 -0.02 0.00 0.00 33.50 31.59 1oni n PRO 15 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1oni s GLY 16 N 0.26 2.83 -1.14 -1.23 0.00 -1.26 -4.92 107.32 101.86 1oni s GLY 16 Ca 0.64 1.14 -0.17 0.00 0.00 0.00 0.00 44.72 46.34 1oni s GLY 16 CO 0.52 1.62 1.41 0.00 0.00 0.00 0.00 173.10 176.65 1oni s ALA 17 N -1.44 3.61 -0.53 3.20 0.00 -1.26 -4.85 121.76 120.49 1oni s ALA 17 Ca 0.71 -3.04 -0.03 0.00 0.00 0.00 0.00 51.96 49.59 1oni s ALA 17 Cb -0.35 -4.24 0.12 0.00 0.00 0.00 0.00 23.12 18.66 1oni s ALA 17 CO 0.41 -2.99 2.62 0.44 0.00 0.00 0.00 175.76 176.23 1oni n ILE 18 N 5.35 3.37 -3.12 0.00 -5.35 -1.26 -4.78 119.36 113.58 1oni n ILE 18 Ca 0.35 -3.25 -0.00 0.00 -0.27 0.00 0.00 62.75 59.58 1oni n ILE 18 Cb 0.46 -1.52 0.00 0.00 -1.74 0.00 0.00 39.64 36.84 1oni n ILE 18 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1oni n GLY 19 N 0.58 1.82 2.69 3.28 0.00 -1.26 -5.03 105.19 107.27 1oni n GLY 19 Ca 0.50 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 1oni n GLY 19 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1oni n PRO 20 N -0.03 4.01 -3.73 1.61 -0.04 -1.26 -4.84 135.00 130.72 1oni n PRO 20 Ca -0.00 -3.45 -0.10 0.00 -0.04 0.00 0.00 63.50 59.91 1oni n PRO 20 Cb 0.03 -2.81 -0.04 0.00 -0.04 0.00 0.00 33.50 30.65 1oni n PRO 20 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1oni s TYR 21 N -0.16 -0.12 0.07 0.54 -0.85 -1.26 -5.17 117.35 110.40 1oni s TYR 21 Ca 0.46 -0.22 0.09 0.00 -0.52 0.00 0.00 57.07 56.88 1oni s TYR 21 Cb 0.13 0.38 -0.03 0.00 0.38 0.00 0.00 41.96 42.82 1oni s TYR 21 CO -0.04 -0.90 -0.23 -1.12 -1.52 0.00 0.00 175.55 171.74 1oni s SER 22 N -2.87 3.46 0.30 -0.18 0.01 -1.26 -4.84 113.70 108.32 1oni s SER 22 Ca 0.09 -0.57 0.01 0.00 1.31 0.00 0.00 55.95 56.79 1oni s SER 22 Cb -0.01 -0.40 0.52 0.00 0.21 0.00 0.00 66.02 66.35 1oni s SER 22 CO -0.04 0.23 1.89 1.56 0.41 0.00 0.00 173.24 177.30 1oni h GLN 23 N 4.43 1.01 -2.69 12.44 4.20 -1.95 -3.40 115.11 129.16 1oni h GLN 23 Ca -0.48 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.15 1oni h GLN 23 Cb 1.15 -0.23 -0.14 0.00 0.30 0.00 0.00 27.48 28.57 1oni h GLN 23 CO 0.44 0.67 0.23 0.00 -0.67 0.00 0.00 178.83 179.50 1oni s ALA 24 N -5.93 -1.66 -0.07 3.87 0.00 -1.23 -1.49 121.76 115.24 1oni s ALA 24 Ca -0.12 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.59 1oni s ALA 24 Cb 0.20 0.61 0.02 0.00 0.00 0.00 0.00 23.12 23.96 1oni s ALA 24 CO 0.80 -0.66 -0.06 0.08 0.00 0.00 0.00 175.76 175.92 1oni s VAL 25 N -3.04 0.75 -0.20 0.00 1.01 -0.66 -0.48 120.40 117.78 1oni s VAL 25 Ca -0.02 -0.18 -0.08 0.00 0.00 0.00 0.00 61.98 61.70 1oni s VAL 25 Cb -0.01 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 1oni s VAL 25 CO -0.07 0.30 0.08 -0.22 0.00 0.00 0.00 175.10 175.19 1oni s LEU 26 N 1.31 3.84 -0.08 3.92 2.96 0.11 -0.82 118.68 129.91 1oni s LEU 26 Ca -0.04 0.07 -0.03 0.00 -0.22 0.00 0.00 54.13 53.90 1oni s LEU 26 Cb -0.14 -1.99 0.05 0.00 0.50 0.00 0.00 46.19 44.61 1oni s LEU 26 CO -0.03 0.14 0.17 -0.69 -1.32 0.00 0.00 176.35 174.63 1oni s VAL 27 N 0.56 -0.21 -1.30 1.68 1.01 -0.19 -0.59 120.40 121.36 1oni s VAL 27 Ca 0.04 0.30 -0.08 0.00 0.00 0.00 0.00 61.98 62.24 1oni s VAL 27 Cb -0.13 -0.30 -0.00 0.00 0.00 0.00 0.00 36.38 35.95 1oni s VAL 27 CO 0.01 0.12 0.59 -0.67 0.00 0.00 0.00 175.10 175.15 1oni n ASP 28 N 5.01 -2.17 0.00 3.32 2.03 -1.25 -1.36 116.55 122.13 1oni n ASP 28 Ca -0.11 -0.99 0.00 0.00 0.52 0.00 0.00 54.79 54.21 1oni n ASP 28 Cb 0.50 -3.29 0.00 0.00 -0.72 0.00 0.00 41.12 37.61 1oni n ASP 28 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1oni n ARG 29 N -4.32 0.00 -3.83 -0.67 5.12 -1.26 -5.00 116.66 106.70 1oni n ARG 29 Ca -0.23 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.34 1oni n ARG 29 Cb 0.65 -1.52 -0.09 0.00 -1.16 0.00 0.00 32.46 30.34 1oni n ARG 29 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1oni s THR 30 N -2.01 5.13 -0.26 0.55 2.01 -0.46 0.13 115.64 120.73 1oni s THR 30 Ca 0.00 0.09 -0.06 0.00 0.31 0.00 0.00 61.69 62.03 1oni s THR 30 Cb 0.00 -3.34 -0.00 0.00 0.01 0.00 0.00 72.50 69.17 1oni s THR 30 CO 0.00 0.44 0.03 -0.63 -0.69 0.00 0.00 174.62 173.77 1oni s ILE 31 N 0.45 3.82 -0.36 1.82 1.01 0.64 -1.02 121.20 127.56 1oni s ILE 31 Ca 0.06 -0.53 -0.16 0.00 0.00 0.00 0.00 60.65 60.02 1oni s ILE 31 Cb -0.12 -2.86 -0.00 0.00 0.01 0.00 0.00 42.46 39.49 1oni s ILE 31 CO -0.00 0.25 0.40 -0.31 0.00 0.00 0.00 174.94 175.28 1oni s TYR 32 N 1.51 3.20 -0.18 3.97 2.02 -0.00 -0.71 117.35 127.15 1oni s TYR 32 Ca 0.04 -0.04 -0.07 0.00 -0.37 0.00 0.00 57.07 56.63 1oni s TYR 32 Cb -0.16 -2.76 -0.04 0.00 -0.40 0.00 0.00 41.96 38.61 1oni s TYR 32 CO 0.01 -0.50 0.05 0.42 -1.57 0.00 0.00 175.55 173.96 1oni s ILE 33 N 2.11 4.64 0.81 2.71 1.01 -0.54 -1.65 121.20 130.29 1oni s ILE 33 Ca 0.13 -0.09 -0.14 0.00 0.00 0.00 0.00 60.65 60.56 1oni s ILE 33 Cb -0.16 -3.09 0.06 0.00 0.01 0.00 0.00 42.46 39.28 1oni s ILE 33 CO 0.12 0.46 1.00 -1.20 0.00 0.00 0.00 174.94 175.32 1oni n SER 34 N 3.63 0.30 -4.71 3.58 7.64 -0.56 -3.34 113.62 120.16 1oni n SER 34 Ca -0.17 0.56 -0.42 0.00 1.01 0.00 0.00 58.87 59.85 1oni n SER 34 Cb 0.52 -1.43 -0.03 0.00 -1.01 0.00 0.00 64.21 62.27 1oni n SER 34 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1oni s GLY 35 N -2.00 1.28 -0.11 0.23 0.00 -1.26 -4.64 107.32 100.81 1oni s GLY 35 Ca 0.70 1.53 -0.04 0.00 0.00 0.00 0.00 44.72 46.91 1oni s GLY 35 CO 0.54 2.90 0.03 1.20 0.00 0.00 0.00 173.10 177.78 1oni s GLN 36 N 1.51 3.25 0.50 2.90 -1.52 0.27 -4.87 119.66 121.70 1oni s GLN 36 Ca 0.75 -0.36 0.04 0.00 -1.95 0.00 0.00 55.36 53.85 1oni s GLN 36 Cb -0.48 -2.93 -0.00 0.00 -0.22 0.00 0.00 33.01 29.38 1oni s GLN 36 CO 0.33 0.63 0.17 0.96 -0.25 0.00 0.00 175.29 177.13 1oni s ILE 37 N -0.66 1.55 0.00 1.08 -4.36 -1.26 -1.33 121.20 116.22 1oni s ILE 37 Ca 0.11 -1.77 -0.03 0.00 -0.26 0.00 0.00 60.65 58.70 1oni s ILE 37 Cb -0.12 -2.33 -0.13 0.00 1.25 0.00 0.00 42.46 41.14 1oni s ILE 37 CO 0.02 0.00 2.70 0.61 0.24 0.00 0.00 174.94 178.52 1oni n GLY 38 N -1.42 2.68 3.73 6.27 0.00 -1.25 -3.79 105.19 111.41 1oni n GLY 38 Ca -0.09 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 1oni n GLY 38 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1oni s MET 39 N 0.54 4.44 -0.11 1.61 0.00 -1.26 -1.84 119.30 122.68 1oni s MET 39 Ca 0.31 0.94 -0.29 0.00 0.00 0.00 0.00 55.69 56.65 1oni s MET 39 Cb 0.15 -3.41 -0.01 0.00 0.00 0.00 0.00 34.83 31.55 1oni s MET 39 CO 0.00 0.16 0.98 0.34 0.00 0.00 0.00 175.02 176.50 1oni s ASP 40 N 0.44 7.22 0.54 1.11 3.68 0.25 -4.79 116.67 125.12 1oni s ASP 40 Ca 0.38 1.49 0.36 0.00 2.13 0.00 0.00 52.55 56.91 1oni s ASP 40 Cb -0.19 -2.54 1.74 0.00 -1.45 0.00 0.00 42.92 40.48 1oni s ASP 40 CO 0.20 -0.43 2.08 -0.65 0.13 0.00 0.00 175.17 176.50 1oni h PRO 41 N 7.10 0.00 0.00 4.34 0.11 -1.90 -0.36 132.00 141.29 1oni h PRO 41 Ca -0.31 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.66 1oni h PRO 41 Cb 1.15 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1oni h PRO 41 CO 0.85 0.00 -1.48 0.45 -0.21 0.00 0.00 178.00 177.61 1oni n SER 42 N -2.89 0.69 -0.00 -2.05 2.88 -1.26 -4.35 113.62 106.64 1oni n SER 42 Ca -0.01 0.30 0.05 0.00 -1.33 0.00 0.00 58.87 57.88 1oni n SER 42 Cb 0.17 0.49 -0.07 0.00 -0.75 0.00 0.00 64.21 64.05 1oni n SER 42 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1oni n SER 43 N -2.77 0.90 -0.38 -3.46 3.41 -1.03 -4.97 113.62 105.32 1oni n SER 43 Ca -0.09 -0.60 -0.05 0.00 -0.26 0.00 0.00 58.87 57.87 1oni n SER 43 Cb 0.78 1.10 -0.02 0.00 -0.26 0.00 0.00 64.21 65.81 1oni n SER 43 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1oni n GLY 44 N 1.38 0.59 3.40 5.00 0.00 -0.17 -4.97 105.19 110.43 1oni n GLY 44 Ca 0.01 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 1oni n GLY 44 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1oni s GLN 45 N -2.07 1.48 0.10 1.61 -0.21 -1.25 -4.89 119.66 114.44 1oni s GLN 45 Ca 0.00 -1.64 -0.31 0.00 0.02 0.00 0.00 55.36 53.43 1oni s GLN 45 Cb 0.00 -1.47 -0.08 0.00 1.00 0.00 0.00 33.01 32.46 1oni s GLN 45 CO 0.00 0.27 1.47 -0.51 -2.12 0.00 0.00 175.29 174.40 1oni s LEU 46 N -3.27 4.36 0.62 2.90 1.43 -1.26 -0.58 118.68 122.88 1oni s LEU 46 Ca 0.25 2.37 -0.18 0.00 -1.03 0.00 0.00 54.13 55.54 1oni s LEU 46 Cb -0.04 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.55 1oni s LEU 46 CO 0.10 -0.73 0.74 1.33 0.23 0.00 0.00 176.35 178.03 1oni n VAL 47 N 4.19 2.88 -2.34 -1.59 0.24 -0.77 -4.87 118.33 116.06 1oni n VAL 47 Ca 0.13 -0.47 -0.27 0.00 -2.04 0.00 0.00 64.34 61.69 1oni n VAL 47 Cb 0.41 -0.92 0.03 0.00 -1.47 0.00 0.00 33.84 31.90 1oni n VAL 47 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1oni s SER 48 N -1.31 5.55 0.00 -1.34 1.04 -1.26 -4.56 113.70 111.82 1oni s SER 48 Ca 0.72 0.74 0.00 0.00 0.48 0.00 0.00 55.95 57.89 1oni s SER 48 Cb -0.41 -1.70 0.00 0.00 0.10 0.00 0.00 66.02 64.01 1oni s SER 48 CO 0.51 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 174.23 1oni n GLY 49 N -2.63 1.29 0.00 7.32 0.00 -1.26 -4.79 105.19 105.12 1oni n GLY 49 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1oni n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oni n GLY 50 N 0.00 -0.76 0.37 -0.02 0.00 -1.26 -4.79 105.19 98.73 1oni n GLY 50 Ca 0.00 -2.17 0.12 0.00 0.00 0.00 0.00 46.02 43.97 1oni n GLY 50 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1oni h VAL 51 N 0.00 0.80 0.11 1.61 3.04 -1.96 -0.58 116.25 119.27 1oni h VAL 51 Ca 0.00 -0.27 -0.00 0.00 -1.01 0.00 0.00 66.70 65.42 1oni h VAL 51 Cb 0.00 -0.05 -0.01 0.00 -2.01 0.00 0.00 31.29 29.22 1oni h VAL 51 CO 0.00 0.14 -0.08 0.00 -1.01 0.00 0.00 177.57 176.62 1oni h ALA 52 N 1.60 -0.19 -0.53 3.17 0.00 -1.94 0.14 119.26 121.50 1oni h ALA 52 Ca 0.51 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.27 1oni h ALA 52 Cb 0.77 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1oni h ALA 52 CO -0.28 -0.61 -0.13 0.93 0.00 0.00 0.00 179.25 179.15 1oni h GLU 53 N -0.20 1.03 -0.49 0.00 4.39 -1.53 -2.50 114.58 115.28 1oni h GLU 53 Ca -0.00 -0.40 -0.05 0.00 0.34 0.00 0.00 59.36 59.25 1oni h GLU 53 Cb 0.18 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1oni h GLU 53 CO -0.00 1.09 0.10 0.93 -1.16 0.00 0.00 179.01 179.96 1oni h GLU 54 N 0.91 0.79 -0.84 2.33 5.08 -1.06 -1.12 114.58 120.67 1oni h GLU 54 Ca 0.13 -0.20 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1oni h GLU 54 Cb 0.71 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 1oni h GLU 54 CO 0.05 0.78 0.55 0.00 -1.00 0.00 0.00 179.01 179.39 1oni h ALA 55 N 0.98 1.07 0.08 3.43 0.00 -0.86 0.22 119.26 124.19 1oni h ALA 55 Ca 0.15 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1oni h ALA 55 Cb 0.36 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1oni h ALA 55 CO 0.00 0.43 -0.04 -0.22 0.00 0.00 0.00 179.25 179.43 1oni h LYS 56 N 1.10 -0.11 -0.83 0.00 3.64 -1.07 -2.34 116.57 116.96 1oni h LYS 56 Ca 0.32 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.67 1oni h LYS 56 Cb -0.08 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 1oni h LYS 56 CO -0.08 -0.04 0.38 0.37 -2.27 0.00 0.00 179.45 177.81 1oni h GLN 57 N -0.15 1.20 -0.54 1.90 5.75 -0.69 -1.74 115.11 120.85 1oni h GLN 57 Ca -0.01 -0.19 0.01 0.00 -0.15 0.00 0.00 58.65 58.31 1oni h GLN 57 Cb 0.12 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.43 1oni h GLN 57 CO 0.02 0.94 0.35 0.00 -2.65 0.00 0.00 178.83 177.48 1oni h ALA 58 N 1.20 0.69 -0.16 3.38 0.00 -0.45 -1.10 119.26 122.83 1oni h ALA 58 Ca 0.28 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 1oni h ALA 58 Cb 0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1oni h ALA 58 CO -0.03 0.10 -0.46 -0.07 0.00 0.00 0.00 179.25 178.79 1oni h LEU 59 N 0.71 0.43 -0.57 0.00 3.38 -1.21 -1.76 115.31 116.29 1oni h LEU 59 Ca 0.21 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1oni h LEU 59 Cb -0.05 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1oni h LEU 59 CO -0.06 0.83 0.05 0.50 0.09 0.00 0.00 178.44 179.85 1oni h LYS 60 N 0.33 0.97 -0.36 1.13 3.64 -0.89 -0.16 116.57 121.22 1oni h LYS 60 Ca 0.02 -0.29 0.02 0.00 -1.27 0.00 0.00 60.65 59.14 1oni h LYS 60 Cb 0.93 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.62 1oni h LYS 60 CO 0.08 0.95 0.19 -0.91 -2.27 0.00 0.00 179.45 177.49 1oni h ASN 61 N 0.86 0.28 -0.71 4.20 2.35 -1.04 -1.12 115.58 120.40 1oni h ASN 61 Ca 0.17 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1oni h ASN 61 Cb 0.48 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.78 1oni h ASN 61 CO 0.02 0.20 0.45 -0.03 -1.65 0.00 0.00 177.43 176.42 1oni h MET 62 N 0.38 0.95 -0.77 0.81 4.05 -1.02 -2.20 114.93 117.13 1oni h MET 62 Ca 0.15 -0.07 0.07 0.00 -0.28 0.00 0.00 59.70 59.57 1oni h MET 62 Cb 0.05 -0.21 -0.06 0.00 -0.80 0.00 0.00 31.60 30.58 1oni h MET 62 CO -0.10 0.65 0.44 0.78 0.23 0.00 0.00 176.91 178.91 1oni h GLY 63 N 0.96 1.16 1.74 1.39 0.00 -0.60 0.27 103.07 108.00 1oni h GLY 63 Ca 0.26 -0.31 -0.11 0.00 0.00 0.00 0.00 47.33 47.17 1oni h GLY 63 CO -0.05 0.17 -0.40 0.83 0.00 0.00 0.00 176.54 177.09 1oni h GLU 64 N 0.79 0.29 -0.37 4.80 4.39 -0.65 -0.05 114.58 123.78 1oni h GLU 64 Ca 0.35 -0.14 -0.16 0.00 0.34 0.00 0.00 59.36 59.75 1oni h GLU 64 Cb 0.24 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1oni h GLU 64 CO -0.20 0.65 -0.41 0.82 -1.16 0.00 0.00 179.01 178.70 1oni h ILE 65 N 0.24 1.27 -0.28 3.13 2.04 -0.82 -1.79 117.51 121.31 1oni h ILE 65 Ca 0.02 -1.58 -0.01 0.00 1.00 0.00 0.00 64.86 64.29 1oni h ILE 65 Cb 0.81 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 1oni h ILE 65 CO 0.06 0.53 0.15 -0.07 0.00 0.00 0.00 178.15 178.82 1oni h LEU 66 N 0.74 0.36 -1.08 1.44 3.38 -0.62 -2.31 115.31 117.22 1oni h LEU 66 Ca 0.05 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 57.99 1oni h LEU 66 Cb 1.01 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.60 1oni h LEU 66 CO 0.10 0.36 0.62 0.50 0.09 0.00 0.00 178.44 180.10 1oni h LYS 67 N 0.33 1.05 0.00 1.13 3.64 -0.65 0.67 116.57 122.74 1oni h LYS 67 Ca 0.10 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1oni h LYS 67 Cb 0.08 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1oni h LYS 67 CO -0.01 0.70 -0.15 0.00 -2.27 0.00 0.00 179.45 177.71 1oni h ALA 68 N 1.49 1.13 -0.41 5.00 0.00 -0.90 0.16 119.26 125.73 1oni h ALA 68 Ca 0.42 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1oni h ALA 68 Cb 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1oni h ALA 68 CO -0.17 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.27 1oni n ALA 69 N -2.23 2.44 -3.51 0.00 0.00 0.08 -4.90 120.51 112.40 1oni n ALA 69 Ca -0.01 -0.82 -0.22 0.00 0.00 0.00 0.00 53.44 52.39 1oni n ALA 69 Cb 0.32 -0.97 0.05 0.00 0.00 0.00 0.00 19.45 18.85 1oni n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oni n GLY 70 N 1.30 -0.89 3.34 0.00 0.00 0.57 -5.00 105.19 104.51 1oni n GLY 70 Ca 0.17 0.42 -0.20 0.00 0.00 0.00 0.00 46.02 46.42 1oni n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oni n ASP 72 N -1.10 0.69 0.26 0.00 3.85 -1.26 -2.41 116.55 116.58 1oni n ASP 72 Ca 0.01 -0.79 0.13 0.00 -0.71 0.00 0.00 54.79 53.44 1oni n ASP 72 Cb 0.64 0.00 0.70 0.00 -1.35 0.00 0.00 41.12 41.11 1oni n ASP 72 CO 0.00 0.00 0.00 -0.26 -1.01 0.00 0.00 177.20 175.93 1oni h PHE 73 N 0.79 0.00 0.00 2.11 -1.00 -1.93 -2.52 116.94 114.39 1oni h PHE 73 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1oni h PHE 73 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1oni h PHE 73 CO 0.00 0.12 0.00 0.25 -1.61 0.00 0.00 178.31 177.07 1oni n THR 74 N -3.47 0.83 0.63 -1.55 -2.24 -1.26 -2.02 114.28 105.20 1oni n THR 74 Ca -0.01 0.24 0.13 0.00 -2.27 0.00 0.00 64.05 62.14 1oni n THR 74 Cb 0.28 -1.18 0.41 0.00 -2.10 0.00 0.00 70.33 67.75 1oni n THR 74 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1oni n ASN 75 N -2.24 0.79 -4.71 3.42 4.13 -0.95 -4.85 115.26 110.85 1oni n ASN 75 Ca 0.02 0.58 -0.42 0.00 1.68 0.00 0.00 54.58 56.44 1oni n ASN 75 Cb 0.22 -0.79 -0.03 0.00 -1.54 0.00 0.00 39.78 37.65 1oni n ASN 75 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1oni s VAL 76 N -3.11 4.04 -0.11 2.41 1.01 -0.86 -1.34 120.40 122.44 1oni s VAL 76 Ca 0.10 1.45 0.08 0.00 0.00 0.00 0.00 61.98 63.61 1oni s VAL 76 Cb 0.12 -3.93 -0.11 0.00 0.00 0.00 0.00 36.38 32.46 1oni s VAL 76 CO 0.59 0.08 0.22 1.33 0.00 0.00 0.00 175.10 177.32 1oni n VAL 77 N 4.12 0.00 -3.67 2.92 0.24 -0.21 -4.37 118.33 117.36 1oni n VAL 77 Ca 0.10 -0.22 -0.14 0.00 -2.04 0.00 0.00 64.34 62.03 1oni n VAL 77 Cb 0.46 0.51 -0.08 0.00 -1.47 0.00 0.00 33.84 33.26 1oni n VAL 77 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1oni s LYS 78 N -2.33 0.70 0.10 7.34 2.47 -1.17 -1.30 119.74 125.55 1oni s LYS 78 Ca -0.01 0.55 -0.01 0.00 -1.56 0.00 0.00 55.97 54.94 1oni s LYS 78 Cb 0.05 0.34 -0.04 0.00 -1.46 0.00 0.00 37.83 36.72 1oni s LYS 78 CO 0.33 -0.13 0.01 0.95 0.16 0.00 0.00 175.35 176.67 1oni s THR 79 N -0.15 0.24 -0.06 3.43 -4.23 -0.68 -0.73 115.64 113.46 1oni s THR 79 Ca -0.03 -1.88 0.02 0.00 -1.18 0.00 0.00 61.69 58.62 1oni s THR 79 Cb -0.03 -1.82 0.02 0.00 1.34 0.00 0.00 72.50 72.00 1oni s THR 79 CO 0.03 -0.71 -0.11 -0.89 -0.54 0.00 0.00 174.62 172.40 1oni s THR 80 N -3.94 1.02 -0.31 3.99 2.01 -0.68 -2.48 115.64 115.25 1oni s THR 80 Ca 0.16 -0.41 -0.06 0.00 0.31 0.00 0.00 61.69 61.70 1oni s THR 80 Cb 0.07 -0.95 0.02 0.00 0.01 0.00 0.00 72.50 71.66 1oni s THR 80 CO -0.03 0.33 0.08 -0.69 -0.69 0.00 0.00 174.62 173.61 1oni s VAL 81 N 0.74 3.76 -0.25 3.82 1.01 -0.09 -1.66 120.40 127.72 1oni s VAL 81 Ca -0.13 -0.93 -0.09 0.00 0.00 0.00 0.00 61.98 60.82 1oni s VAL 81 Cb -0.15 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 1oni s VAL 81 CO 0.03 -0.03 0.12 -0.76 0.00 0.00 0.00 175.10 174.46 1oni s LEU 82 N 1.43 3.78 0.03 3.92 1.43 0.30 -1.87 118.68 127.70 1oni s LEU 82 Ca 0.00 -0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.09 1oni s LEU 82 Cb -0.18 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 1oni s LEU 82 CO 0.02 0.00 -0.08 -0.76 0.23 0.00 0.00 176.35 175.76 1oni s LEU 83 N 1.43 3.10 0.36 1.79 1.43 -0.02 -1.32 118.68 125.45 1oni s LEU 83 Ca 0.06 -0.22 0.19 0.00 -1.03 0.00 0.00 54.13 53.13 1oni s LEU 83 Cb -0.15 -1.81 0.43 0.00 0.03 0.00 0.00 46.19 44.69 1oni s LEU 83 CO 0.06 0.26 1.61 0.00 0.23 0.00 0.00 176.35 178.51 1oni h ALA 84 N 4.31 0.85 -2.79 4.21 0.00 -1.52 0.26 119.26 124.58 1oni h ALA 84 Ca -0.48 -0.31 -0.31 0.00 0.00 0.00 0.00 54.91 53.81 1oni h ALA 84 Cb 1.17 -0.06 -0.36 0.00 0.00 0.00 0.00 17.79 18.54 1oni h ALA 84 CO 0.53 0.43 -0.63 0.34 0.00 0.00 0.00 179.25 179.93 1oni s ASP 85 N -6.34 1.11 0.57 0.00 -1.08 -1.26 -4.78 116.67 104.88 1oni s ASP 85 Ca 0.03 0.04 0.26 0.00 -0.52 0.00 0.00 52.55 52.36 1oni s ASP 85 Cb 0.08 0.34 1.56 0.00 -1.46 0.00 0.00 42.92 43.44 1oni s ASP 85 CO 0.70 -0.29 2.11 -0.29 0.52 0.00 0.00 175.17 177.92 1oni h ILE 86 N 6.33 0.63 0.00 4.11 6.09 -1.93 0.11 117.51 132.85 1oni h ILE 86 Ca -0.15 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.34 1oni h ILE 86 Cb 1.14 0.87 0.00 0.00 0.47 0.00 0.00 36.82 39.30 1oni h ILE 86 CO 0.22 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.89 1oni n ASN 87 N -4.05 0.29 -0.33 2.19 3.02 -1.26 -2.11 115.26 113.01 1oni n ASN 87 Ca 0.02 0.59 0.15 0.00 -0.03 0.00 0.00 54.58 55.30 1oni n ASN 87 Cb 0.30 -0.65 0.64 0.00 -0.61 0.00 0.00 39.78 39.46 1oni n ASN 87 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1oni n ASP 88 N -1.85 1.03 -0.05 6.41 8.00 0.38 -4.52 116.55 125.97 1oni n ASP 88 Ca 0.02 -1.30 -0.12 0.00 0.71 0.00 0.00 54.79 54.09 1oni n ASP 88 Cb 0.13 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.17 1oni n ASP 88 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1oni h PHE 89 N 1.60 -1.26 -0.78 1.24 3.57 -1.58 -1.63 116.94 118.09 1oni h PHE 89 Ca 0.00 0.06 0.10 0.00 3.53 0.00 0.00 57.97 61.66 1oni h PHE 89 Cb 0.36 0.59 -0.07 0.00 2.79 0.00 0.00 35.95 39.61 1oni h PHE 89 CO 0.00 -0.47 0.42 -0.91 -2.23 0.00 0.00 178.31 175.12 1oni h ASN 90 N -0.44 0.58 0.73 0.41 -0.26 -1.85 0.24 115.58 114.98 1oni h ASN 90 Ca 0.09 0.06 -0.03 0.00 -0.56 0.00 0.00 56.30 55.86 1oni h ASN 90 Cb 0.62 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.82 1oni h ASN 90 CO -0.47 0.32 -0.46 0.74 -1.06 0.00 0.00 177.43 176.50 1oni h THR 91 N 0.70 0.07 -0.81 2.81 2.02 -1.65 -1.40 112.91 114.64 1oni h THR 91 Ca 0.38 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.67 1oni h THR 91 Cb 0.39 0.07 -0.08 0.00 -1.74 0.00 0.00 68.15 66.79 1oni h THR 91 CO -0.26 0.00 0.45 0.58 0.37 0.00 0.00 175.52 176.65 1oni h VAL 92 N -1.13 0.86 -0.79 3.16 2.07 -0.91 -2.07 116.25 117.45 1oni h VAL 92 Ca -0.10 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.19 1oni h VAL 92 Cb 0.91 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1oni h VAL 92 CO 0.09 0.13 0.52 -1.13 0.02 0.00 0.00 177.57 177.20 1oni h ASN 93 N 0.73 0.90 -0.30 0.57 -1.24 -0.25 0.11 115.58 116.09 1oni h ASN 93 Ca 0.40 -0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.39 1oni h ASN 93 Cb 0.43 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.24 1oni h ASN 93 CO -0.28 0.65 0.18 -0.08 -1.29 0.00 0.00 177.43 176.61 1oni h GLU 94 N 1.06 0.43 0.03 6.67 4.57 -0.54 0.68 114.58 127.49 1oni h GLU 94 Ca 0.29 -0.03 -0.12 0.00 -1.18 0.00 0.00 59.36 58.32 1oni h GLU 94 Cb -0.11 -0.09 0.01 0.00 -0.16 0.00 0.00 28.75 28.40 1oni h GLU 94 CO -0.07 0.31 -0.49 0.82 -1.18 0.00 0.00 179.01 178.41 1oni h ILE 95 N 0.44 1.52 -0.64 2.32 1.08 -1.12 -3.28 117.51 117.84 1oni h ILE 95 Ca 0.12 -2.17 0.08 0.00 -0.39 0.00 0.00 64.86 62.49 1oni h ILE 95 Cb 0.01 2.87 -0.07 0.00 -3.07 0.00 0.00 36.82 36.56 1oni h ILE 95 CO -0.02 0.61 0.29 0.22 -0.69 0.00 0.00 178.15 178.56 1oni h TYR 96 N -0.37 0.52 -0.00 1.37 5.03 -0.38 0.64 116.97 123.77 1oni h TYR 96 Ca -0.07 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.27 1oni h TYR 96 Cb 1.27 -0.14 -0.00 0.00 1.55 0.00 0.00 36.73 39.41 1oni h TYR 96 CO 0.18 0.19 0.18 0.87 -1.32 0.00 0.00 178.16 178.25 1oni h LYS 97 N 0.52 0.00 0.00 1.82 1.57 -0.93 0.35 116.57 119.89 1oni h LYS 97 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1oni h LYS 97 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1oni h LYS 97 CO -0.26 0.00 -0.13 1.04 -0.57 0.00 0.00 179.45 179.53 1oni n GLN 98 N -2.99 0.02 -0.03 3.15 6.02 0.21 -4.06 117.38 119.71 1oni n GLN 98 Ca -0.02 0.01 -0.04 0.00 -0.01 0.00 0.00 57.00 56.94 1oni n GLN 98 Cb 0.23 -1.52 -0.04 0.00 1.02 0.00 0.00 30.24 29.94 1oni n GLN 98 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1oni n TYR 99 N -1.56 0.00 -3.58 1.08 4.02 -0.04 -4.84 117.16 112.24 1oni n TYR 99 Ca 0.06 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.55 1oni n TYR 99 Cb 0.35 -0.27 -0.09 0.00 -0.02 0.00 0.00 39.34 39.31 1oni n TYR 99 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1oni s PHE 100 N -2.14 3.46 -0.39 -0.72 0.08 -0.30 -4.89 117.98 113.07 1oni s PHE 100 Ca -0.07 -2.00 0.16 0.00 0.12 0.00 0.00 56.93 55.13 1oni s PHE 100 Cb 0.02 -3.47 -0.21 0.00 -0.57 0.00 0.00 43.02 38.80 1oni s PHE 100 CO 0.18 -0.98 0.51 1.63 -0.10 0.00 0.00 175.22 176.46 1oni n LYS 101 N 4.72 1.22 -3.79 0.44 5.02 -1.26 -4.45 118.16 120.06 1oni n LYS 101 Ca -0.05 -0.07 -0.04 0.00 -2.02 0.00 0.00 58.31 56.13 1oni n LYS 101 Cb 0.41 -1.30 -0.01 0.00 -0.02 0.00 0.00 35.03 34.11 1oni n LYS 101 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1oni s SER 102 N -3.12 -0.17 -1.36 4.39 1.04 -1.26 -4.97 113.70 108.25 1oni s SER 102 Ca 0.00 -0.51 -0.18 0.00 0.48 0.00 0.00 55.95 55.74 1oni s SER 102 Cb 0.11 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.82 1oni s SER 102 CO 0.65 -1.06 0.40 0.59 0.98 0.00 0.00 173.24 174.81 1oni n ASN 103 N -0.57 -1.93 -4.73 7.02 5.03 -1.26 -4.77 115.26 114.04 1oni n ASN 103 Ca -0.05 -1.26 -0.36 0.00 0.87 0.00 0.00 54.58 53.78 1oni n ASN 103 Cb 0.60 -1.83 0.07 0.00 -1.02 0.00 0.00 39.78 37.60 1oni n ASN 103 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1oni s PHE 104 N -3.89 2.17 0.69 3.10 0.40 -1.26 -4.99 117.98 114.19 1oni s PHE 104 Ca 0.27 1.54 -0.14 0.00 -0.60 0.00 0.00 56.93 58.00 1oni s PHE 104 Cb -0.14 -3.54 0.01 0.00 0.51 0.00 0.00 43.02 39.86 1oni s PHE 104 CO 0.97 -2.58 1.10 -2.14 0.70 0.00 0.00 175.22 173.27 1oni s PRO 105 N -3.58 2.70 0.80 0.24 0.02 -1.26 -5.01 135.00 128.92 1oni s PRO 105 Ca 0.78 1.29 -0.12 0.00 0.02 0.00 0.00 61.00 62.98 1oni s PRO 105 Cb -0.32 -1.94 0.08 0.00 0.02 0.00 0.00 34.50 32.34 1oni s PRO 105 CO 0.40 -1.32 1.13 0.00 -0.33 0.00 0.00 177.00 176.89 1oni s ALA 106 N -2.54 1.97 -0.03 -1.55 0.00 -0.42 -4.87 121.76 114.32 1oni s ALA 106 Ca 0.65 0.52 -0.24 0.00 0.00 0.00 0.00 51.96 52.89 1oni s ALA 106 Cb -0.19 -3.38 0.05 0.00 0.00 0.00 0.00 23.12 19.60 1oni s ALA 106 CO 0.46 -2.10 0.53 0.50 0.00 0.00 0.00 175.76 175.15 1oni s ARG 107 N -4.55 0.90 -0.04 0.00 3.52 -1.26 -1.69 118.95 115.84 1oni s ARG 107 Ca 0.66 0.07 0.03 0.00 -0.13 0.00 0.00 55.73 56.36 1oni s ARG 107 Cb -0.22 0.42 0.01 0.00 -1.56 0.00 0.00 34.95 33.60 1oni s ARG 107 CO 0.53 -0.27 -0.11 0.00 -0.81 0.00 0.00 175.30 174.64 1oni s ALA 108 N -1.27 1.04 -0.04 6.12 0.00 -1.03 -4.99 121.76 121.59 1oni s ALA 108 Ca -0.12 -0.39 -0.00 0.00 0.00 0.00 0.00 51.96 51.45 1oni s ALA 108 Cb -0.02 -0.40 0.03 0.00 0.00 0.00 0.00 23.12 22.72 1oni s ALA 108 CO 0.08 0.15 0.01 0.00 0.00 0.00 0.00 175.76 176.00 1oni s ALA 109 N 0.30 0.34 0.28 0.00 0.00 -1.26 -0.92 121.76 120.50 1oni s ALA 109 Ca -0.06 0.14 -0.20 0.00 0.00 0.00 0.00 51.96 51.84 1oni s ALA 109 Cb -0.11 -0.43 0.04 0.00 0.00 0.00 0.00 23.12 22.63 1oni s ALA 109 CO 0.01 -0.20 0.82 1.52 0.00 0.00 0.00 175.76 177.91 1oni s TYR 110 N 1.35 -0.06 -0.12 0.00 1.13 -0.78 -4.99 117.35 113.87 1oni s TYR 110 Ca -0.05 -0.43 -0.14 0.00 -1.41 0.00 0.00 57.07 55.04 1oni s TYR 110 Cb -0.13 0.74 -0.05 0.00 -1.10 0.00 0.00 41.96 41.42 1oni s TYR 110 CO -0.03 -1.23 0.33 -1.14 -2.51 0.00 0.00 175.55 170.97 1oni s GLN 111 N -3.15 4.16 0.55 -3.49 0.74 -1.26 -0.84 119.66 116.38 1oni s GLN 111 Ca 0.14 0.19 0.06 0.00 0.05 0.00 0.00 55.36 55.79 1oni s GLN 111 Cb -0.05 -3.38 0.06 0.00 1.10 0.00 0.00 33.01 30.74 1oni s GLN 111 CO 0.07 0.33 0.46 1.33 -0.55 0.00 0.00 175.29 176.94 1oni n VAL 112 N 3.21 0.00 0.09 1.34 0.24 0.08 -4.91 118.33 118.38 1oni n VAL 112 Ca -0.12 -2.15 -0.18 0.00 -2.04 0.00 0.00 64.34 59.86 1oni n VAL 112 Cb 0.52 -0.09 -0.11 0.00 -1.47 0.00 0.00 33.84 32.70 1oni n VAL 112 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1oni h ALA 113 N 0.60 0.13 -1.71 2.33 0.00 -1.92 -3.43 119.26 115.26 1oni h ALA 113 Ca -0.34 -0.79 0.03 0.00 0.00 0.00 0.00 54.91 53.82 1oni h ALA 113 Cb 1.27 0.05 -0.22 0.00 0.00 0.00 0.00 17.79 18.89 1oni h ALA 113 CO 0.52 0.80 0.43 0.00 0.00 0.00 0.00 179.25 181.00 1oni s ALA 114 N -2.97 -1.88 0.34 0.00 0.00 -1.26 -5.03 121.76 110.96 1oni s ALA 114 Ca -0.07 1.52 0.09 0.00 0.00 0.00 0.00 51.96 53.50 1oni s ALA 114 Cb 0.07 -0.52 -0.05 0.00 0.00 0.00 0.00 23.12 22.62 1oni s ALA 114 CO 0.90 -0.33 0.02 -0.51 0.00 0.00 0.00 175.76 175.84 1oni s LEU 115 N -1.07 3.00 0.55 0.00 1.43 -1.26 -5.08 118.68 116.25 1oni s LEU 115 Ca -0.05 -0.96 -0.21 0.00 -1.03 0.00 0.00 54.13 51.88 1oni s LEU 115 Cb -0.00 -1.39 -0.05 0.00 0.03 0.00 0.00 46.19 44.78 1oni s LEU 115 CO 0.04 -0.23 1.30 -2.84 0.23 0.00 0.00 176.35 174.85 1oni s PRO 116 N -3.72 3.13 -1.81 1.29 0.02 -1.26 -2.71 135.00 129.94 1oni s PRO 116 Ca 0.35 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.45 1oni s PRO 116 Cb -0.01 -2.18 0.00 0.00 0.02 0.00 0.00 34.50 32.34 1oni s PRO 116 CO 0.20 -1.15 0.00 1.63 -0.33 0.00 0.00 177.00 177.35 1oni n LYS 117 N -1.14 -1.44 -1.78 5.54 5.02 -1.26 -2.12 118.16 120.98 1oni n LYS 117 Ca 0.11 1.03 -0.14 0.00 -2.02 0.00 0.00 58.31 57.29 1oni n LYS 117 Cb 0.47 -5.37 -0.04 0.00 -0.02 0.00 0.00 35.03 30.07 1oni n LYS 117 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1oni n GLY 118 N -0.26 0.77 3.68 0.72 0.00 -1.10 -4.99 105.19 104.00 1oni n GLY 118 Ca -0.17 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 1oni n GLY 118 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1oni s SER 119 N -2.64 2.80 -0.00 1.61 0.01 -0.90 -4.96 113.70 109.62 1oni s SER 119 Ca 0.00 1.32 0.18 0.00 1.31 0.00 0.00 55.95 58.76 1oni s SER 119 Cb 0.00 -1.99 -0.21 0.00 0.21 0.00 0.00 66.02 64.03 1oni s SER 119 CO 0.00 -3.04 0.72 0.54 0.41 0.00 0.00 173.24 171.87 1oni n ARG 120 N -4.13 1.00 -3.66 12.44 5.12 -1.26 -4.43 116.66 121.74 1oni n ARG 120 Ca 0.06 -0.02 -0.15 0.00 -1.93 0.00 0.00 57.85 55.81 1oni n ARG 120 Cb 0.56 -1.36 -0.08 0.00 -1.16 0.00 0.00 32.46 30.42 1oni n ARG 120 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 1oni s ILE 121 N -2.76 0.01 0.01 0.55 2.07 -1.26 -1.46 121.20 118.36 1oni s ILE 121 Ca 0.05 -0.11 0.01 0.00 -1.41 0.00 0.00 60.65 59.19 1oni s ILE 121 Cb 0.13 -0.78 -0.01 0.00 0.13 0.00 0.00 42.46 41.94 1oni s ILE 121 CO 0.74 -0.06 -0.04 -0.70 -1.91 0.00 0.00 174.94 172.97 1oni s GLU 122 N -0.46 0.31 -0.08 3.50 2.12 -0.43 -4.33 118.70 119.31 1oni s GLU 122 Ca -0.06 -0.26 0.00 0.00 0.36 0.00 0.00 54.97 55.01 1oni s GLU 122 Cb -0.03 -0.22 0.02 0.00 0.26 0.00 0.00 34.13 34.16 1oni s GLU 122 CO 0.04 0.05 -0.07 0.42 -0.54 0.00 0.00 175.26 175.17 1oni s ILE 123 N -0.41 0.85 0.35 -3.70 1.01 -0.44 -0.54 121.20 118.31 1oni s ILE 123 Ca -0.02 -0.23 0.08 0.00 0.00 0.00 0.00 60.65 60.47 1oni s ILE 123 Cb -0.03 -0.86 -0.03 0.00 0.01 0.00 0.00 42.46 41.54 1oni s ILE 123 CO -0.00 0.32 0.24 -1.83 0.00 0.00 0.00 174.94 173.67 1oni s GLU 124 N 1.36 2.55 0.16 2.79 -1.05 -0.67 -0.57 118.70 123.28 1oni s GLU 124 Ca -0.03 -1.44 -0.22 0.00 -0.15 0.00 0.00 54.97 53.14 1oni s GLU 124 Cb -0.14 -2.33 0.06 0.00 -0.44 0.00 0.00 34.13 31.28 1oni s GLU 124 CO -0.03 0.06 0.59 0.00 0.95 0.00 0.00 175.26 176.83 1oni s ALA 125 N -2.38 -1.51 -0.06 -0.84 0.00 -1.21 -1.69 121.76 114.06 1oni s ALA 125 Ca 0.40 0.39 0.03 0.00 0.00 0.00 0.00 51.96 52.78 1oni s ALA 125 Cb -0.04 0.87 0.01 0.00 0.00 0.00 0.00 23.12 23.96 1oni s ALA 125 CO 0.25 -0.77 -0.14 0.08 0.00 0.00 0.00 175.76 175.17 1oni s VAL 126 N -3.77 1.28 0.16 0.00 1.01 0.10 -1.46 120.40 117.72 1oni s VAL 126 Ca 0.02 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.46 1oni s VAL 126 Cb -0.01 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.18 1oni s VAL 126 CO -0.12 0.38 -0.07 0.00 0.00 0.00 0.00 175.10 175.30 1oni s ALA 127 N 0.51 1.47 -0.10 5.51 0.00 0.11 -1.04 121.76 128.22 1oni s ALA 127 Ca -0.13 -1.54 0.04 0.00 0.00 0.00 0.00 51.96 50.32 1oni s ALA 127 Cb -0.15 0.19 -0.00 0.00 0.00 0.00 0.00 23.12 23.15 1oni s ALA 127 CO 0.04 -0.16 -0.22 0.42 0.00 0.00 0.00 175.76 175.84 1oni s ILE 128 N -3.40 2.23 0.02 0.00 -1.09 -0.45 -0.26 121.20 118.25 1oni s ILE 128 Ca 0.19 -0.96 -0.30 0.00 -2.23 0.00 0.00 60.65 57.35 1oni s ILE 128 Cb 0.04 -1.86 -0.06 0.00 -1.58 0.00 0.00 42.46 39.00 1oni s ILE 128 CO 0.02 0.56 1.38 -1.58 -1.23 0.00 0.00 174.94 174.09 1oni s GLN 129 N 0.28 4.30 1.31 2.79 0.74 0.12 -4.79 119.66 124.41 1oni s GLN 129 Ca -0.16 1.97 -0.18 0.00 0.05 0.00 0.00 55.36 57.04 1oni s GLN 129 Cb -0.17 -3.51 0.33 0.00 1.10 0.00 0.00 33.01 30.76 1oni s GLN 129 CO 0.08 -0.53 0.97 0.20 -0.55 0.00 0.00 175.29 175.46 1oni s GLY 130 N 1.71 1.47 0.32 2.59 0.00 -1.26 -4.78 107.32 107.37 1oni s GLY 130 Ca 0.64 -0.48 -0.28 0.00 0.00 0.00 0.00 44.72 44.60 1oni s GLY 130 CO 0.27 0.40 1.10 -4.14 0.00 0.00 0.00 173.10 170.73 1oni s PRO 131 N -4.74 4.49 -0.19 2.90 0.02 -1.26 -5.11 135.00 131.10 1oni s PRO 131 Ca 0.69 1.77 0.01 0.00 0.02 0.00 0.00 61.00 63.48 1oni s PRO 131 Cb -0.19 -3.01 0.03 0.00 0.02 0.00 0.00 34.50 31.34 1oni s PRO 131 CO 0.62 0.08 -0.16 -0.51 -0.33 0.00 0.00 177.00 176.70 1oni s LEU 132 N -1.78 2.36 -0.39 -5.54 1.43 -1.26 -5.10 118.68 108.40 1oni s LEU 132 Ca 0.48 -0.81 -0.14 0.00 -1.03 0.00 0.00 54.13 52.63 1oni s LEU 132 Cb -0.30 -1.42 0.01 0.00 0.03 0.00 0.00 46.19 44.52 1oni s LEU 132 CO 0.39 -0.07 0.27 -0.89 0.23 0.00 0.00 176.35 176.28 1oni s THR 133 N 1.30 5.12 -0.15 5.49 2.01 -1.26 -5.06 115.64 123.08 1oni s THR 133 Ca 0.01 -0.60 -0.29 0.00 0.31 0.00 0.00 61.69 61.12 1oni s THR 133 Cb -0.15 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 1oni s THR 133 CO -0.10 -0.23 1.62 -0.89 -0.69 0.00 0.00 174.62 174.33 1oni s THR 134 N 1.66 3.67 0.35 -0.82 2.01 -1.26 -5.05 115.64 116.20 1oni s THR 134 Ca 0.05 0.78 -0.25 0.00 0.31 0.00 0.00 61.69 62.58 1oni s THR 134 Cb -0.19 -3.60 -0.10 0.00 0.01 0.00 0.00 72.50 68.62 1oni s THR 134 CO 0.09 -0.18 0.96 0.00 -0.69 0.00 0.00 174.62 174.81 1oni s ALA 135 N 4.67 3.18 -2.00 7.40 0.00 -1.26 -5.26 121.76 128.49 1oni s ALA 135 Ca 0.72 0.55 0.30 0.00 0.00 0.00 0.00 51.96 53.53 1oni s ALA 135 Cb -0.28 -3.20 1.82 0.00 0.00 0.00 0.00 23.12 21.46 1oni s ALA 135 CO 0.28 0.10 2.15 -1.13 0.00 0.00 0.00 175.76 177.16