#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oni n SER 3 N 0.00 0.00 -4.77 4.04 7.64 -1.26 -5.12 113.62 114.15 1oni n SER 3 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 1oni n SER 3 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 1oni n SER 3 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1oni s LEU 4 N 0.00 4.00 -0.16 -3.43 1.43 -1.26 -5.09 118.68 114.17 1oni s LEU 4 Ca 0.00 0.29 -0.13 0.00 -1.03 0.00 0.00 54.13 53.27 1oni s LEU 4 Cb 0.00 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 44.22 1oni s LEU 4 CO 0.00 0.37 0.25 -0.63 0.23 0.00 0.00 176.35 176.57 1oni s ILE 5 N -0.79 5.33 -0.15 -0.59 -1.09 -1.26 -5.00 121.20 117.65 1oni s ILE 5 Ca 0.13 0.46 -0.04 0.00 -2.23 0.00 0.00 60.65 58.97 1oni s ILE 5 Cb -0.12 -3.59 -0.03 0.00 -1.58 0.00 0.00 42.46 37.15 1oni s ILE 5 CO 0.03 0.42 -0.02 -0.60 -1.23 0.00 0.00 174.94 173.54 1oni s ARG 6 N 0.28 3.63 -0.12 2.79 3.52 -1.26 -3.53 118.95 124.26 1oni s ARG 6 Ca 0.15 -0.49 0.01 0.00 -0.13 0.00 0.00 55.73 55.27 1oni s ARG 6 Cb -0.13 -2.93 0.02 0.00 -1.56 0.00 0.00 34.95 30.35 1oni s ARG 6 CO 0.03 0.30 -0.13 1.03 -0.81 0.00 0.00 175.30 175.72 1oni s ARG 7 N 0.21 2.05 -0.35 5.12 0.52 -0.19 -5.00 118.95 121.31 1oni s ARG 7 Ca -0.01 -0.49 -0.19 0.00 -0.52 0.00 0.00 55.73 54.52 1oni s ARG 7 Cb -0.14 -1.84 -0.00 0.00 0.52 0.00 0.00 34.95 33.50 1oni s ARG 7 CO 0.02 -0.14 0.58 0.08 0.02 0.00 0.00 175.30 175.87 1oni s VAL 8 N 1.22 4.95 0.14 3.52 1.01 -1.26 -0.54 120.40 129.44 1oni s VAL 8 Ca -0.02 0.50 -0.30 0.00 0.00 0.00 0.00 61.98 62.16 1oni s VAL 8 Cb -0.14 -4.02 -0.07 0.00 0.00 0.00 0.00 36.38 32.15 1oni s VAL 8 CO -0.05 -0.26 1.10 -0.63 0.00 0.00 0.00 175.10 175.26 1oni s ILE 9 N 2.57 4.02 -0.24 2.22 -1.09 -0.09 -5.00 121.20 123.59 1oni s ILE 9 Ca 0.22 1.65 -0.03 0.00 -2.23 0.00 0.00 60.65 60.27 1oni s ILE 9 Cb -0.15 -4.06 0.12 0.00 -1.58 0.00 0.00 42.46 36.80 1oni s ILE 9 CO 0.14 0.24 0.32 -0.55 -1.23 0.00 0.00 174.94 173.86 1oni s SER 10 N 0.19 0.76 -0.04 3.58 0.15 -1.26 -3.86 113.70 113.22 1oni s SER 10 Ca 0.51 -0.05 0.03 0.00 0.70 0.00 0.00 55.95 57.15 1oni s SER 10 Cb -0.28 0.81 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 1oni s SER 10 CO 0.33 -0.32 -0.14 0.28 1.20 0.00 0.00 173.24 174.59 1oni s THR 11 N 2.45 1.19 -0.93 6.45 -1.32 -1.26 -4.99 115.64 117.23 1oni s THR 11 Ca 0.10 -0.56 0.22 0.00 -1.21 0.00 0.00 61.69 60.24 1oni s THR 11 Cb -0.15 -1.04 0.19 0.00 -1.51 0.00 0.00 72.50 69.99 1oni s THR 11 CO -0.17 0.35 1.70 0.00 -2.21 0.00 0.00 174.62 174.29 1oni n ALA 12 N 3.34 1.98 0.47 11.08 0.00 -1.26 -2.20 120.51 133.92 1oni n ALA 12 Ca -0.19 -0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.27 1oni n ALA 12 Cb 0.53 -1.36 0.32 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.64 0.02 -4.26 0.00 4.76 -1.26 -4.76 118.16 111.03 1oni n LYS 13 Ca 0.05 0.28 -0.15 0.00 -2.87 0.00 0.00 58.31 55.62 1oni n LYS 13 Cb 0.27 -1.55 -0.10 0.00 -1.84 0.00 0.00 35.03 31.81 1oni n LYS 13 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1oni s ALA 14 N -3.04 1.52 0.29 7.82 0.00 -0.94 -4.88 121.76 122.54 1oni s ALA 14 Ca 0.06 -1.50 -0.30 0.00 0.00 0.00 0.00 51.96 50.23 1oni s ALA 14 Cb 0.09 0.02 -0.12 0.00 0.00 0.00 0.00 23.12 23.11 1oni s ALA 14 CO 0.27 -0.06 1.53 -2.30 0.00 0.00 0.00 175.76 175.20 1oni n PRO 15 N -0.17 2.54 -1.16 0.00 -0.02 -1.26 -4.84 135.00 130.09 1oni n PRO 15 Ca -0.10 0.90 -0.30 0.00 -2.02 0.00 0.00 63.50 61.98 1oni n PRO 15 Cb 0.60 -2.64 0.15 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 0.35 1.61 0.60 -1.23 0.00 -1.26 -4.98 107.32 102.41 1oni s GLY 16 Ca 0.63 -0.08 -0.19 0.00 0.00 0.00 0.00 44.72 45.08 1oni s GLY 16 CO 0.51 0.43 1.25 0.00 0.00 0.00 0.00 173.10 175.29 1oni s ALA 17 N -2.91 2.54 -0.93 3.20 0.00 -1.26 -4.96 121.76 117.44 1oni s ALA 17 Ca 0.64 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.70 1oni s ALA 17 Cb -0.18 -3.49 0.33 0.00 0.00 0.00 0.00 23.12 19.77 1oni s ALA 17 CO 0.57 -1.30 1.69 -0.89 0.00 0.00 0.00 175.76 175.83 1oni n ILE 18 N -1.58 5.38 0.00 0.00 2.08 -1.26 -4.99 119.36 118.98 1oni n ILE 18 Ca 0.14 -5.78 0.00 0.00 0.56 0.00 0.00 62.75 57.66 1oni n ILE 18 Cb 0.49 -1.50 0.00 0.00 -0.75 0.00 0.00 39.64 37.88 1oni n ILE 18 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1oni n GLY 19 N -0.13 0.15 2.52 7.39 0.00 -1.26 -4.79 105.19 109.06 1oni n GLY 19 Ca 0.45 -1.57 -0.35 0.00 0.00 0.00 0.00 46.02 44.55 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 0.00 3.77 -3.85 1.61 -0.04 -1.26 -4.82 135.00 130.41 1oni n PRO 20 Ca 0.00 -3.15 -0.10 0.00 -0.04 0.00 0.00 63.50 60.21 1oni n PRO 20 Cb 0.00 -2.42 -0.08 0.00 -0.04 0.00 0.00 33.50 30.96 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 -1.75 0.07 0.31 0.54 1.13 -1.26 -5.18 117.35 111.22 1oni s TYR 21 Ca 0.55 -0.31 0.10 0.00 -1.41 0.00 0.00 57.07 55.99 1oni s TYR 21 Cb 0.27 -0.04 -0.05 0.00 -1.10 0.00 0.00 41.96 41.04 1oni s TYR 21 CO -0.16 -0.43 -0.02 -1.54 -2.51 0.00 0.00 175.55 170.89 1oni s SER 22 N -2.12 4.19 0.18 -0.18 1.04 -1.26 -4.73 113.70 110.82 1oni s SER 22 Ca -0.05 -0.91 -0.16 0.00 0.48 0.00 0.00 55.95 55.32 1oni s SER 22 Cb -0.01 -0.58 0.13 0.00 0.10 0.00 0.00 66.02 65.67 1oni s SER 22 CO -0.04 -0.14 1.66 1.56 0.98 0.00 0.00 173.24 177.25 1oni h GLN 23 N 1.89 0.00 -2.76 4.02 4.20 -1.94 -3.41 115.11 117.10 1oni h GLN 23 Ca -0.43 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.25 1oni h GLN 23 Cb 1.25 -0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.89 1oni h GLN 23 CO 0.64 0.00 0.17 0.00 -0.67 0.00 0.00 178.83 178.97 1oni s ALA 24 N -6.22 -1.57 -0.11 3.87 0.00 -1.25 -1.43 121.76 115.05 1oni s ALA 24 Ca -0.14 0.67 0.01 0.00 0.00 0.00 0.00 51.96 52.50 1oni s ALA 24 Cb 0.16 0.62 0.02 0.00 0.00 0.00 0.00 23.12 23.91 1oni s ALA 24 CO 0.72 -0.64 -0.12 0.08 0.00 0.00 0.00 175.76 175.79 1oni s VAL 25 N -3.01 1.30 -0.17 0.00 1.01 -0.41 -0.91 120.40 118.21 1oni s VAL 25 Ca -0.02 -0.50 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 1oni s VAL 25 Cb -0.01 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 1oni s VAL 25 CO -0.06 0.40 0.08 -0.22 0.00 0.00 0.00 175.10 175.30 1oni s LEU 26 N 1.22 3.93 -0.10 3.92 2.96 0.30 -1.08 118.68 129.83 1oni s LEU 26 Ca -0.03 0.17 -0.04 0.00 -0.22 0.00 0.00 54.13 54.01 1oni s LEU 26 Cb -0.14 -1.98 0.05 0.00 0.50 0.00 0.00 46.19 44.62 1oni s LEU 26 CO -0.04 0.23 0.21 -0.69 -1.32 0.00 0.00 176.35 174.74 1oni s VAL 27 N 0.03 -0.27 -1.31 1.68 1.01 -0.28 -1.02 120.40 120.24 1oni s VAL 27 Ca 0.07 0.27 -0.12 0.00 0.00 0.00 0.00 61.98 62.20 1oni s VAL 27 Cb -0.12 -0.36 0.01 0.00 0.00 0.00 0.00 36.38 35.90 1oni s VAL 27 CO 0.01 0.11 0.52 -0.67 0.00 0.00 0.00 175.10 175.07 1oni n ASP 28 N 5.04 -2.23 0.00 3.32 2.03 -1.23 -1.21 116.55 122.27 1oni n ASP 28 Ca -0.11 -1.09 0.00 0.00 0.52 0.00 0.00 54.79 54.11 1oni n ASP 28 Cb 0.50 -2.74 0.00 0.00 -0.72 0.00 0.00 41.12 38.16 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 -4.47 0.00 -3.31 -0.67 1.74 -1.26 -4.97 116.66 103.72 1oni n ARG 29 Ca -0.22 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.48 1oni n ARG 29 Cb 0.64 -2.36 -0.06 0.00 -1.02 0.00 0.00 32.46 29.66 1oni n ARG 29 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1oni s THR 30 N -1.74 5.18 -0.23 0.55 2.01 -0.35 -1.07 115.64 119.98 1oni s THR 30 Ca 0.00 0.94 -0.05 0.00 0.31 0.00 0.00 61.69 62.89 1oni s THR 30 Cb 0.00 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 1oni s THR 30 CO 0.00 0.30 0.00 -0.63 -0.69 0.00 0.00 174.62 173.60 1oni s ILE 31 N 0.80 3.77 -0.33 1.82 1.01 0.13 -1.13 121.20 127.27 1oni s ILE 31 Ca 0.25 -0.36 -0.14 0.00 0.00 0.00 0.00 60.65 60.40 1oni s ILE 31 Cb -0.15 -2.73 -0.02 0.00 0.01 0.00 0.00 42.46 39.57 1oni s ILE 31 CO 0.10 0.39 0.33 -0.31 0.00 0.00 0.00 174.94 175.46 1oni s TYR 32 N 1.49 3.22 -0.19 3.97 1.51 -0.24 -1.22 117.35 125.89 1oni s TYR 32 Ca 0.06 0.03 -0.07 0.00 -1.01 0.00 0.00 57.07 56.07 1oni s TYR 32 Cb -0.15 -2.61 -0.04 0.00 -0.11 0.00 0.00 41.96 39.06 1oni s TYR 32 CO -0.00 -0.37 0.06 0.42 -1.11 0.00 0.00 175.55 174.54 1oni s ILE 33 N 1.97 4.63 0.97 2.71 1.01 -0.15 -1.29 121.20 131.05 1oni s ILE 33 Ca 0.11 -0.09 -0.11 0.00 0.00 0.00 0.00 60.65 60.57 1oni s ILE 33 Cb -0.16 -3.10 0.18 0.00 0.01 0.00 0.00 42.46 39.39 1oni s ILE 33 CO 0.11 0.44 1.12 -0.44 0.00 0.00 0.00 174.94 176.17 1oni s SER 34 N 0.61 2.45 0.13 3.58 0.01 -0.51 -2.92 113.70 117.05 1oni s SER 34 Ca 0.03 2.05 -0.31 0.00 1.31 0.00 0.00 55.95 59.02 1oni s SER 34 Cb -0.13 -2.51 -0.11 0.00 0.21 0.00 0.00 66.02 63.48 1oni s SER 34 CO 0.01 -3.38 1.84 -0.83 0.41 0.00 0.00 173.24 171.30 1oni s GLY 35 N -2.62 1.31 -0.16 3.44 0.00 -1.26 -4.53 107.32 103.50 1oni s GLY 35 Ca 0.67 1.48 -0.07 0.00 0.00 0.00 0.00 44.72 46.80 1oni s GLY 35 CO 0.60 3.16 0.07 1.20 0.00 0.00 0.00 173.10 178.12 1oni s GLN 36 N 2.67 3.77 0.46 2.90 -1.52 0.60 -4.83 119.66 123.70 1oni s GLN 36 Ca 0.81 -0.30 0.06 0.00 -1.95 0.00 0.00 55.36 53.97 1oni s GLN 36 Cb -0.47 -3.17 -0.03 0.00 -0.22 0.00 0.00 33.01 29.13 1oni s GLN 36 CO 0.36 0.42 0.18 0.96 -0.25 0.00 0.00 175.29 176.97 1oni s ILE 37 N -0.05 1.88 0.00 1.08 -4.36 -1.26 -1.58 121.20 116.91 1oni s ILE 37 Ca 0.07 -1.74 -0.03 0.00 -0.26 0.00 0.00 60.65 58.69 1oni s ILE 37 Cb -0.12 -2.63 -0.12 0.00 1.25 0.00 0.00 42.46 40.84 1oni s ILE 37 CO 0.01 0.00 2.63 0.61 0.24 0.00 0.00 174.94 178.43 1oni n GLY 38 N -1.34 2.63 3.73 6.27 0.00 -1.25 -4.11 105.19 111.12 1oni n GLY 38 Ca -0.06 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 1oni n GLY 38 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1oni s MET 39 N 0.57 4.63 0.04 1.61 -1.94 -1.26 -1.57 119.30 121.37 1oni s MET 39 Ca 0.30 1.36 -0.30 0.00 -1.71 0.00 0.00 55.69 55.33 1oni s MET 39 Cb 0.14 -3.39 -0.04 0.00 2.01 0.00 0.00 34.83 33.54 1oni s MET 39 CO 0.00 0.17 1.07 0.34 -0.01 0.00 0.00 175.02 176.59 1oni s ASP 40 N 0.23 7.25 0.49 3.03 2.15 -0.27 -4.73 116.67 124.82 1oni s ASP 40 Ca 0.46 1.83 0.14 0.00 0.43 0.00 0.00 52.55 55.41 1oni s ASP 40 Cb -0.22 -2.58 1.15 0.00 -0.30 0.00 0.00 42.92 40.98 1oni s ASP 40 CO 0.28 -0.34 2.12 -0.65 -0.17 0.00 0.00 175.17 176.41 1oni h PRO 41 N 6.69 0.14 0.17 4.34 0.11 -1.89 0.69 132.00 142.24 1oni h PRO 41 Ca -0.41 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 1oni h PRO 41 Cb 1.22 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1oni h PRO 41 CO 0.77 0.10 -0.08 0.77 -0.21 0.00 0.00 178.00 179.35 1oni h SER 42 N 0.14 -0.19 0.92 -2.05 0.02 -1.92 -3.40 113.55 107.07 1oni h SER 42 Ca 0.04 -0.24 -0.22 0.00 -0.84 0.00 0.00 61.79 60.52 1oni h SER 42 Cb -0.00 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 1oni h SER 42 CO -0.01 0.37 -1.12 0.77 -1.14 0.00 0.00 176.83 175.70 1oni h SER 43 N -0.98 0.00 -0.12 3.07 4.64 -1.95 -3.47 113.55 114.74 1oni h SER 43 Ca -0.02 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.25 1oni h SER 43 Cb 0.42 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 1oni h SER 43 CO 0.04 0.99 -0.05 0.61 -0.87 0.00 0.00 176.83 177.55 1oni n GLY 44 N 1.38 0.58 3.66 -0.77 0.00 0.22 -5.03 105.19 105.24 1oni n GLY 44 Ca -0.03 -0.50 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.54 2.39 0.41 1.61 -1.52 -1.26 -4.87 119.66 114.88 1oni s GLN 45 Ca 0.00 -1.08 -0.26 0.00 -1.95 0.00 0.00 55.36 52.07 1oni s GLN 45 Cb 0.00 -2.37 -0.09 0.00 -0.22 0.00 0.00 33.01 30.34 1oni s GLN 45 CO 0.00 0.46 1.34 -0.51 -0.25 0.00 0.00 175.29 176.34 1oni s LEU 46 N -2.84 4.20 0.60 2.90 1.43 -1.26 -1.11 118.68 122.60 1oni s LEU 46 Ca 0.27 2.74 -0.17 0.00 -1.03 0.00 0.00 54.13 55.94 1oni s LEU 46 Cb -0.10 -3.89 -0.03 0.00 0.03 0.00 0.00 46.19 42.21 1oni s LEU 46 CO 0.18 -0.92 1.10 0.68 0.23 0.00 0.00 176.35 177.63 1oni s VAL 47 N -1.23 3.34 0.65 -1.59 -7.23 -0.61 -4.83 120.40 108.90 1oni s VAL 47 Ca 0.57 0.71 -0.06 0.00 -1.81 0.00 0.00 61.98 61.39 1oni s VAL 47 Cb -0.40 -3.23 0.04 0.00 0.56 0.00 0.00 36.38 33.35 1oni s VAL 47 CO 0.52 -0.31 0.96 -0.94 -0.31 0.00 0.00 175.10 175.01 1oni s SER 48 N -2.30 5.11 0.00 4.85 1.04 -1.26 -4.64 113.70 116.50 1oni s SER 48 Ca 0.68 0.50 0.00 0.00 0.48 0.00 0.00 55.95 57.61 1oni s SER 48 Cb -0.21 -1.28 0.00 0.00 0.10 0.00 0.00 66.02 64.63 1oni s SER 48 CO 0.34 -1.38 0.00 0.61 0.98 0.00 0.00 173.24 173.79 1oni n GLY 49 N -2.76 2.16 0.00 7.32 0.00 -1.26 -4.80 105.19 105.86 1oni n GLY 49 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.45 -1.69 0.35 -0.02 0.00 -1.26 -4.63 105.19 97.50 1oni n GLY 50 Ca 0.00 -2.14 0.07 0.00 0.00 0.00 0.00 46.02 43.95 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 1.01 0.25 1.61 3.04 -1.96 -0.75 116.25 119.46 1oni h VAL 51 Ca 0.00 -0.24 -0.01 0.00 -1.01 0.00 0.00 66.70 65.44 1oni h VAL 51 Cb 0.00 0.25 0.00 0.00 -2.01 0.00 0.00 31.29 29.54 1oni h VAL 51 CO 0.00 0.13 -0.12 0.00 -1.01 0.00 0.00 177.57 176.57 1oni h ALA 52 N 1.63 -0.34 -0.87 3.17 0.00 -1.94 0.14 119.26 121.05 1oni h ALA 52 Ca 0.30 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1oni h ALA 52 Cb 0.27 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1oni h ALA 52 CO -0.10 -0.65 0.50 0.93 0.00 0.00 0.00 179.25 179.93 1oni h GLU 53 N -0.42 1.19 -0.57 0.00 3.07 -1.68 -2.61 114.58 113.56 1oni h GLU 53 Ca -0.03 -0.12 -0.11 0.00 -0.50 0.00 0.00 59.36 58.60 1oni h GLU 53 Cb 0.32 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 27.96 1oni h GLU 53 CO 0.06 0.85 -0.07 0.93 -1.40 0.00 0.00 179.01 179.38 1oni h GLU 54 N 1.20 1.05 -0.60 2.33 5.08 -0.77 -2.24 114.58 120.62 1oni h GLU 54 Ca 0.31 -0.37 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1oni h GLU 54 Cb -0.01 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1oni h GLU 54 CO -0.05 1.06 0.15 0.00 -1.00 0.00 0.00 179.01 179.17 1oni h ALA 55 N 0.95 1.13 -0.22 3.43 0.00 -0.47 0.49 119.26 124.57 1oni h ALA 55 Ca 0.15 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1oni h ALA 55 Cb 0.63 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1oni h ALA 55 CO 0.04 0.59 -0.05 -0.22 0.00 0.00 0.00 179.25 179.61 1oni h LYS 56 N 0.90 0.42 -0.65 0.00 3.64 -1.35 -1.00 116.57 118.52 1oni h LYS 56 Ca 0.19 -0.16 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 1oni h LYS 56 Cb 0.31 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1oni h LYS 56 CO -0.00 0.66 0.14 0.37 -2.27 0.00 0.00 179.45 178.35 1oni h GLN 57 N 0.14 1.06 -0.83 1.90 5.75 -1.16 -1.53 115.11 120.44 1oni h GLN 57 Ca 0.05 -0.27 -0.03 0.00 -0.15 0.00 0.00 58.65 58.26 1oni h GLN 57 Cb 0.51 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.89 1oni h GLN 57 CO 0.02 0.96 0.41 0.00 -2.65 0.00 0.00 178.83 177.57 1oni h ALA 58 N 1.05 1.15 -0.04 3.38 0.00 -0.76 0.10 119.26 124.15 1oni h ALA 58 Ca 0.20 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1oni h ALA 58 Cb 0.39 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1oni h ALA 58 CO 0.01 0.65 -0.69 -0.07 0.00 0.00 0.00 179.25 179.15 1oni h LEU 59 N 1.18 0.24 -0.52 0.00 3.38 -0.98 -1.21 115.31 117.40 1oni h LEU 59 Ca 0.29 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1oni h LEU 59 Cb 0.10 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1oni h LEU 59 CO -0.04 0.85 0.17 0.11 0.09 0.00 0.00 178.44 179.63 1oni h LYS 60 N 0.14 0.81 -0.42 1.13 1.57 -0.91 0.15 116.57 119.04 1oni h LYS 60 Ca -0.02 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.61 1oni h LYS 60 Cb 1.23 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 1oni h LYS 60 CO 0.10 0.74 0.26 -0.91 -0.57 0.00 0.00 179.45 179.08 1oni h ASN 61 N 0.72 0.44 -0.69 0.86 2.35 -0.77 -0.81 115.58 117.68 1oni h ASN 61 Ca 0.17 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 1oni h ASN 61 Cb 0.26 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 1oni h ASN 61 CO -0.01 0.32 0.35 -0.03 -1.65 0.00 0.00 177.43 176.41 1oni h MET 62 N 0.54 0.99 -0.70 0.81 4.05 -0.89 -2.21 114.93 117.52 1oni h MET 62 Ca 0.16 -0.13 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 1oni h MET 62 Cb -0.02 -0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 30.56 1oni h MET 62 CO -0.06 0.76 0.44 0.78 0.23 0.00 0.00 176.91 179.07 1oni h GLY 63 N 0.96 0.99 1.80 1.39 0.00 -0.11 -0.82 103.07 107.28 1oni h GLY 63 Ca 0.24 -0.38 -0.10 0.00 0.00 0.00 0.00 47.33 47.08 1oni h GLY 63 CO -0.03 0.38 -0.41 0.83 0.00 0.00 0.00 176.54 177.30 1oni h GLU 64 N 0.95 0.22 -0.14 4.80 4.39 -0.57 -2.04 114.58 122.18 1oni h GLU 64 Ca 0.25 -0.10 -0.08 0.00 0.34 0.00 0.00 59.36 59.78 1oni h GLU 64 Cb -0.08 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1oni h GLU 64 CO -0.05 0.60 -0.20 0.82 -1.16 0.00 0.00 179.01 179.01 1oni h ILE 65 N 0.18 1.36 -0.72 3.13 2.04 -0.98 -1.57 117.51 120.96 1oni h ILE 65 Ca 0.02 -1.42 0.08 0.00 1.00 0.00 0.00 64.86 64.53 1oni h ILE 65 Cb 0.81 1.95 -0.07 0.00 -0.74 0.00 0.00 36.82 38.77 1oni h ILE 65 CO 0.06 0.42 0.38 -0.07 0.00 0.00 0.00 178.15 178.95 1oni h LEU 66 N 0.00 0.54 -0.76 1.44 3.38 -1.12 -2.30 115.31 116.49 1oni h LEU 66 Ca 0.01 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1oni h LEU 66 Cb 0.77 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1oni h LEU 66 CO 0.05 0.32 0.37 0.50 0.09 0.00 0.00 178.44 179.77 1oni h LYS 67 N 0.67 1.08 0.00 1.13 3.64 -1.12 0.37 116.57 122.34 1oni h LYS 67 Ca 0.34 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1oni h LYS 67 Cb 0.30 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1oni h LYS 67 CO -0.23 0.84 0.00 0.00 -2.27 0.00 0.00 179.45 177.78 1oni n ALA 68 N -2.38 1.48 -0.17 5.00 0.00 -0.61 -0.94 120.51 122.89 1oni n ALA 68 Ca 0.07 0.11 0.07 0.00 0.00 0.00 0.00 53.44 53.69 1oni n ALA 68 Cb 0.13 -1.35 0.19 0.00 0.00 0.00 0.00 19.45 18.42 1oni n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oni n ALA 69 N -1.75 2.25 -0.85 0.00 0.00 -0.18 -4.95 120.51 115.03 1oni n ALA 69 Ca 0.01 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.30 1oni n ALA 69 Cb 0.17 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 0.85 0.49 3.37 0.00 0.00 -0.11 -4.99 105.19 104.79 1oni n GLY 70 Ca 0.15 -0.80 -0.18 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.53 0.61 0.27 0.00 3.85 -1.26 -2.63 116.55 116.86 1oni n ASP 72 Ca -0.02 -0.92 0.14 0.00 -0.71 0.00 0.00 54.79 53.28 1oni n ASP 72 Cb 0.66 0.00 0.78 0.00 -1.35 0.00 0.00 41.12 41.21 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 0.92 0.00 0.00 2.11 0.04 -1.94 -2.01 116.94 116.06 1oni h PHE 73 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1oni h PHE 73 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1oni h PHE 73 CO 0.00 0.09 0.00 1.79 -0.60 0.00 0.00 178.31 179.59 1oni h THR 74 N 0.00 0.00 0.00 -1.55 1.35 -1.96 -2.34 112.91 108.41 1oni h THR 74 Ca -0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1oni h THR 74 Cb 0.26 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 1oni h THR 74 CO 0.01 0.00 -0.28 0.59 -0.25 0.00 0.00 175.52 175.59 1oni n ASN 75 N -2.41 0.29 -4.73 5.36 4.13 -0.75 -4.87 115.26 112.28 1oni n ASN 75 Ca 0.00 0.10 -0.42 0.00 1.68 0.00 0.00 54.58 55.95 1oni n ASN 75 Cb 0.16 -0.10 -0.03 0.00 -1.54 0.00 0.00 39.78 38.27 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 -3.01 3.71 -0.03 2.41 1.01 -0.88 -0.96 120.40 122.65 1oni s VAL 76 Ca 0.12 1.34 0.06 0.00 0.00 0.00 0.00 61.98 63.51 1oni s VAL 76 Cb 0.18 -3.86 -0.10 0.00 0.00 0.00 0.00 36.38 32.61 1oni s VAL 76 CO 0.62 0.17 0.10 1.33 0.00 0.00 0.00 175.10 177.32 1oni n VAL 77 N 3.13 0.17 -3.72 2.92 0.24 -0.23 -4.47 118.33 116.38 1oni n VAL 77 Ca 0.07 -0.20 -0.12 0.00 -2.04 0.00 0.00 64.34 62.04 1oni n VAL 77 Cb 0.45 -0.11 -0.11 0.00 -1.47 0.00 0.00 33.84 32.60 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 -2.36 0.38 0.34 7.34 2.47 -1.07 -0.87 119.74 125.97 1oni s LYS 78 Ca -0.03 0.63 0.05 0.00 -1.56 0.00 0.00 55.97 55.07 1oni s LYS 78 Cb 0.03 0.05 -0.07 0.00 -1.46 0.00 0.00 37.83 36.39 1oni s LYS 78 CO 0.28 -0.12 0.02 0.95 0.16 0.00 0.00 175.35 176.64 1oni s THR 79 N 0.89 1.51 -0.07 3.43 -4.23 -0.21 -0.65 115.64 116.31 1oni s THR 79 Ca -0.06 -2.03 -0.01 0.00 -1.18 0.00 0.00 61.69 58.41 1oni s THR 79 Cb -0.06 -2.77 0.03 0.00 1.34 0.00 0.00 72.50 71.03 1oni s THR 79 CO -0.07 -0.07 -0.01 -0.89 -0.54 0.00 0.00 174.62 173.05 1oni s THR 80 N -3.07 0.41 -0.24 3.99 2.01 -0.80 -1.98 115.64 115.95 1oni s THR 80 Ca 0.35 0.08 -0.05 0.00 0.31 0.00 0.00 61.69 62.37 1oni s THR 80 Cb 0.08 -0.54 -0.01 0.00 0.01 0.00 0.00 72.50 72.03 1oni s THR 80 CO 0.15 0.26 0.01 -0.69 -0.69 0.00 0.00 174.62 173.66 1oni s VAL 81 N 1.81 3.76 -0.28 3.82 1.01 -0.29 -1.86 120.40 128.38 1oni s VAL 81 Ca 0.03 -0.40 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 1oni s VAL 81 Cb -0.13 -2.76 0.01 0.00 0.00 0.00 0.00 36.38 33.51 1oni s VAL 81 CO -0.05 0.36 0.02 -0.76 0.00 0.00 0.00 175.10 174.68 1oni s LEU 82 N 1.53 3.58 0.03 3.92 1.43 -0.28 -2.53 118.68 126.36 1oni s LEU 82 Ca 0.06 -0.76 0.02 0.00 -1.03 0.00 0.00 54.13 52.42 1oni s LEU 82 Cb -0.15 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 1oni s LEU 82 CO -0.00 -0.16 0.03 -0.76 0.23 0.00 0.00 176.35 175.68 1oni s LEU 83 N 1.43 3.60 0.35 1.79 1.43 -0.82 -1.27 118.68 125.20 1oni s LEU 83 Ca 0.02 -0.03 0.18 0.00 -1.03 0.00 0.00 54.13 53.27 1oni s LEU 83 Cb -0.17 -2.18 0.34 0.00 0.03 0.00 0.00 46.19 44.22 1oni s LEU 83 CO -0.00 0.24 1.57 0.00 0.23 0.00 0.00 176.35 178.39 1oni h ALA 84 N 3.91 0.82 -2.96 4.21 0.00 -1.62 -0.72 119.26 122.90 1oni h ALA 84 Ca -0.48 -0.33 -0.38 0.00 0.00 0.00 0.00 54.91 53.72 1oni h ALA 84 Cb 1.17 -0.06 -0.38 0.00 0.00 0.00 0.00 17.79 18.52 1oni h ALA 84 CO 0.60 0.45 -0.70 0.34 0.00 0.00 0.00 179.25 179.94 1oni s ASP 85 N -6.36 1.65 0.56 0.00 -1.08 -1.26 -4.76 116.67 105.43 1oni s ASP 85 Ca 0.03 -0.25 0.30 0.00 -0.52 0.00 0.00 52.55 52.11 1oni s ASP 85 Cb 0.08 0.02 1.46 0.00 -1.46 0.00 0.00 42.92 43.03 1oni s ASP 85 CO 0.71 -0.31 1.89 -0.29 0.52 0.00 0.00 175.17 177.69 1oni h ILE 86 N 6.39 0.48 0.00 4.11 6.09 -1.93 0.28 117.51 132.92 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 0.59 0.00 0.00 0.47 0.00 0.00 36.82 39.02 1oni h ILE 86 CO 0.24 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.91 1oni n ASN 87 N -4.02 0.00 -0.47 2.19 5.03 -1.26 -2.19 115.26 114.55 1oni n ASN 87 Ca 0.13 -0.99 0.14 0.00 0.87 0.00 0.00 54.58 54.73 1oni n ASN 87 Cb 0.81 0.00 0.53 0.00 -1.02 0.00 0.00 39.78 40.10 1oni n ASN 87 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1oni n ASP 88 N -0.91 1.47 -0.13 6.41 8.00 0.09 -4.53 116.55 126.96 1oni n ASP 88 Ca 0.17 -1.48 -0.05 0.00 0.71 0.00 0.00 54.79 54.13 1oni n ASP 88 Cb 0.08 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.19 1oni n ASP 88 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1oni h PHE 89 N 2.31 -0.40 0.08 1.24 0.04 -1.62 -0.76 116.94 117.82 1oni h PHE 89 Ca 0.00 0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 1oni h PHE 89 Cb 0.49 0.24 -0.00 0.00 2.20 0.00 0.00 35.95 38.89 1oni h PHE 89 CO 0.00 -0.25 -0.04 -0.91 -0.60 0.00 0.00 178.31 176.51 1oni h ASN 90 N -0.08 -0.10 -0.38 2.17 2.35 -1.86 0.19 115.58 117.87 1oni h ASN 90 Ca 0.20 0.01 0.07 0.00 -0.55 0.00 0.00 56.30 56.03 1oni h ASN 90 Cb 0.39 0.03 -0.07 0.00 0.05 0.00 0.00 38.32 38.72 1oni h ASN 90 CO -0.48 -0.07 -0.07 0.74 -1.65 0.00 0.00 177.43 175.91 1oni h THR 91 N -0.11 0.64 -0.53 2.81 2.02 -1.84 -1.59 112.91 114.32 1oni h THR 91 Ca -0.01 -0.01 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 1oni h THR 91 Cb 0.09 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1oni h THR 91 CO 0.01 0.01 0.18 0.58 0.37 0.00 0.00 175.52 176.67 1oni h VAL 92 N 0.03 1.23 -0.92 3.16 2.07 -0.58 -2.81 116.25 118.42 1oni h VAL 92 Ca 0.18 -0.75 0.04 0.00 0.82 0.00 0.00 66.70 66.99 1oni h VAL 92 Cb 0.28 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 1oni h VAL 92 CO -0.37 0.28 0.61 0.78 0.02 0.00 0.00 177.57 178.89 1oni h ASN 93 N 0.72 1.00 -0.78 0.57 2.35 -0.28 0.50 115.58 119.66 1oni h ASN 93 Ca 0.17 -0.01 0.06 0.00 -0.55 0.00 0.00 56.30 55.97 1oni h ASN 93 Cb 0.25 -0.23 -0.06 0.00 0.05 0.00 0.00 38.32 38.34 1oni h ASN 93 CO -0.01 0.68 0.47 -0.33 -1.65 0.00 0.00 177.43 176.60 1oni h GLU 94 N 1.16 0.84 -0.03 0.81 4.39 -1.03 -1.70 114.58 119.01 1oni h GLU 94 Ca 0.37 -0.05 -0.23 0.00 0.34 0.00 0.00 59.36 59.79 1oni h GLU 94 Cb 0.02 -0.19 0.02 0.00 -0.10 0.00 0.00 28.75 28.50 1oni h GLU 94 CO -0.11 0.56 -0.86 0.82 -1.16 0.00 0.00 179.01 178.25 1oni h ILE 95 N 0.87 1.32 -0.45 3.13 5.03 -1.38 -3.24 117.51 122.79 1oni h ILE 95 Ca 0.34 -2.13 0.08 0.00 -0.12 0.00 0.00 64.86 63.03 1oni h ILE 95 Cb 0.16 2.35 -0.07 0.00 -3.03 0.00 0.00 36.82 36.23 1oni h ILE 95 CO -0.17 0.65 0.01 0.22 -0.68 0.00 0.00 178.15 178.19 1oni h TYR 96 N 0.29 0.00 0.00 1.37 3.20 -0.72 -1.56 116.97 119.54 1oni h TYR 96 Ca -0.10 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.80 1oni h TYR 96 Cb 1.53 0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.86 1oni h TYR 96 CO 0.11 -0.08 0.00 1.63 -1.64 0.00 0.00 178.16 178.18 1oni n LYS 97 N -5.20 0.14 0.15 1.82 5.02 -0.66 -0.62 118.16 118.82 1oni n LYS 97 Ca 0.04 0.50 0.13 0.00 -2.02 0.00 0.00 58.31 56.96 1oni n LYS 97 Cb 0.24 -1.85 0.32 0.00 -0.02 0.00 0.00 35.03 33.72 1oni n LYS 97 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1oni h GLN 98 N 0.00 0.00 0.00 1.97 4.20 -1.30 -3.36 115.11 116.62 1oni h GLN 98 Ca 0.00 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.45 1oni h GLN 98 Cb 0.18 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.91 1oni h GLN 98 CO 0.00 0.00 -1.90 0.66 -0.67 0.00 0.00 178.83 176.92 1oni n TYR 99 N -2.61 0.00 -3.22 2.96 4.02 -0.49 -4.80 117.16 113.03 1oni n TYR 99 Ca 0.05 0.00 -0.46 0.00 -0.01 0.00 0.00 57.90 57.48 1oni n TYR 99 Cb 0.46 -0.59 -0.03 0.00 -0.02 0.00 0.00 39.34 39.16 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 -2.30 3.42 0.16 -0.72 0.40 0.21 -4.80 117.98 114.34 1oni s PHE 100 Ca -0.22 -1.57 0.04 0.00 -0.60 0.00 0.00 56.93 54.58 1oni s PHE 100 Cb 0.08 -3.93 -0.04 0.00 0.51 0.00 0.00 43.02 39.64 1oni s PHE 100 CO 0.31 -1.14 1.36 0.87 0.70 0.00 0.00 175.22 177.33 1oni h LYS 101 N 8.42 0.14 0.00 0.44 1.57 -1.84 -3.38 116.57 121.92 1oni h LYS 101 Ca -0.04 -0.17 0.07 0.00 -1.87 0.00 0.00 60.65 58.65 1oni h LYS 101 Cb 1.06 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 1oni h LYS 101 CO 0.93 0.95 0.33 -1.13 -0.57 0.00 0.00 179.45 179.96 1oni n SER 102 N -3.60 -1.17 -4.08 0.86 3.41 -1.26 -4.98 113.62 102.80 1oni n SER 102 Ca -0.03 -1.66 -0.37 0.00 -0.26 0.00 0.00 58.87 56.54 1oni n SER 102 Cb 0.83 1.91 -0.02 0.00 -0.26 0.00 0.00 64.21 66.67 1oni n SER 102 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1oni n ASN 103 N -1.10 -2.22 -4.76 4.04 5.03 -1.26 -4.77 115.26 110.22 1oni n ASN 103 Ca -0.02 -1.22 -0.39 0.00 0.87 0.00 0.00 54.58 53.81 1oni n ASN 103 Cb 0.37 -2.05 0.02 0.00 -1.02 0.00 0.00 39.78 37.10 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 -3.84 2.41 0.96 3.10 2.99 -1.26 -4.98 117.98 117.36 1oni s PHE 104 Ca 0.28 1.29 -0.10 0.00 0.00 0.00 0.00 56.93 58.39 1oni s PHE 104 Cb -0.14 -3.90 0.17 0.00 0.00 0.00 0.00 43.02 39.15 1oni s PHE 104 CO 0.96 -2.95 1.13 -2.14 -0.00 0.00 0.00 175.22 172.22 1oni s PRO 105 N -2.56 0.68 0.86 0.24 0.02 -1.26 -4.99 135.00 127.99 1oni s PRO 105 Ca 0.64 1.44 -0.10 0.00 0.02 0.00 0.00 61.00 62.99 1oni s PRO 105 Cb -0.43 -1.70 0.11 0.00 0.02 0.00 0.00 34.50 32.50 1oni s PRO 105 CO 0.54 -2.82 1.12 0.00 -0.33 0.00 0.00 177.00 175.51 1oni s ALA 106 N -2.62 1.80 -0.11 -1.55 0.00 -0.05 -4.84 121.76 114.39 1oni s ALA 106 Ca 0.67 0.46 -0.21 0.00 0.00 0.00 0.00 51.96 52.88 1oni s ALA 106 Cb -0.23 -3.38 0.05 0.00 0.00 0.00 0.00 23.12 19.56 1oni s ALA 106 CO 0.59 -2.35 0.52 0.50 0.00 0.00 0.00 175.76 175.02 1oni s ARG 107 N -4.75 0.77 0.09 0.00 3.52 -1.26 -1.04 118.95 116.27 1oni s ARG 107 Ca 0.64 0.37 0.10 0.00 -0.13 0.00 0.00 55.73 56.71 1oni s ARG 107 Cb -0.20 0.36 -0.04 0.00 -1.56 0.00 0.00 34.95 33.51 1oni s ARG 107 CO 0.57 -0.18 -0.25 0.00 -0.81 0.00 0.00 175.30 174.63 1oni s ALA 108 N -0.56 2.37 -0.16 6.12 0.00 -0.84 -4.98 121.76 123.72 1oni s ALA 108 Ca -0.07 -1.36 -0.14 0.00 0.00 0.00 0.00 51.96 50.39 1oni s ALA 108 Cb -0.03 -0.46 0.04 0.00 0.00 0.00 0.00 23.12 22.67 1oni s ALA 108 CO 0.04 0.54 0.41 0.00 0.00 0.00 0.00 175.76 176.76 1oni s ALA 109 N -0.96 -1.02 0.10 0.00 0.00 -1.26 -1.14 121.76 117.49 1oni s ALA 109 Ca 0.13 1.20 -0.26 0.00 0.00 0.00 0.00 51.96 53.04 1oni s ALA 109 Cb -0.10 -0.71 0.08 0.00 0.00 0.00 0.00 23.12 22.39 1oni s ALA 109 CO 0.05 -0.20 0.85 1.52 0.00 0.00 0.00 175.76 177.97 1oni s TYR 110 N 0.37 -0.29 -0.09 0.00 1.13 -1.05 -5.00 117.35 112.42 1oni s TYR 110 Ca -0.01 0.05 -0.13 0.00 -1.41 0.00 0.00 57.07 55.56 1oni s TYR 110 Cb -0.04 0.59 -0.05 0.00 -1.10 0.00 0.00 41.96 41.37 1oni s TYR 110 CO -0.01 -0.76 0.32 -1.14 -2.51 0.00 0.00 175.55 171.45 1oni s GLN 111 N -3.36 3.98 0.51 -3.49 0.74 -1.26 -1.94 119.66 114.84 1oni s GLN 111 Ca 0.07 0.20 0.07 0.00 0.05 0.00 0.00 55.36 55.75 1oni s GLN 111 Cb -0.02 -3.31 0.03 0.00 1.10 0.00 0.00 33.01 30.82 1oni s GLN 111 CO -0.04 0.50 0.45 0.14 -0.55 0.00 0.00 175.29 175.80 1oni s VAL 112 N -0.38 2.04 -0.00 1.34 -7.23 -0.28 -4.93 120.40 110.96 1oni s VAL 112 Ca 0.20 -1.37 -0.08 0.00 -1.81 0.00 0.00 61.98 58.91 1oni s VAL 112 Cb -0.14 -2.41 -0.30 0.00 0.56 0.00 0.00 36.38 34.08 1oni s VAL 112 CO 0.08 0.00 0.85 0.00 -0.31 0.00 0.00 175.10 175.72 1oni h ALA 113 N 0.75 0.13 -1.96 1.32 0.00 -1.92 -3.43 119.26 114.15 1oni h ALA 113 Ca -0.37 -1.05 -0.04 0.00 0.00 0.00 0.00 54.91 53.44 1oni h ALA 113 Cb 1.29 0.30 -0.20 0.00 0.00 0.00 0.00 17.79 19.17 1oni h ALA 113 CO 0.55 1.00 0.20 0.00 0.00 0.00 0.00 179.25 181.00 1oni s ALA 114 N -2.60 -1.79 0.28 0.00 0.00 -1.26 -5.05 121.76 111.34 1oni s ALA 114 Ca -0.11 1.54 0.12 0.00 0.00 0.00 0.00 51.96 53.51 1oni s ALA 114 Cb 0.06 -0.40 -0.05 0.00 0.00 0.00 0.00 23.12 22.73 1oni s ALA 114 CO 0.87 -0.35 -0.16 -0.51 0.00 0.00 0.00 175.76 175.61 1oni s LEU 115 N -0.72 2.70 0.45 0.00 1.02 -1.26 -5.09 118.68 115.78 1oni s LEU 115 Ca -0.07 -0.96 -0.25 0.00 0.02 0.00 0.00 54.13 52.87 1oni s LEU 115 Cb -0.02 -1.22 -0.09 0.00 0.02 0.00 0.00 46.19 44.89 1oni s LEU 115 CO 0.07 0.03 1.36 -2.65 0.02 0.00 0.00 176.35 175.17 1oni n PRO 116 N -0.67 2.06 -1.30 1.29 -0.02 -1.26 -2.33 135.00 132.76 1oni n PRO 116 Ca -0.05 0.73 -0.10 0.00 -2.02 0.00 0.00 63.50 62.06 1oni n PRO 116 Cb 0.60 -2.52 -0.04 0.00 -0.02 0.00 0.00 33.50 31.51 1oni n PRO 116 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1oni n LYS 117 N -0.18 -1.54 -1.67 -0.52 5.02 -1.26 -1.56 118.16 116.45 1oni n LYS 117 Ca 0.06 0.84 -0.09 0.00 -2.02 0.00 0.00 58.31 57.11 1oni n LYS 117 Cb 0.41 -5.17 -0.02 0.00 -0.02 0.00 0.00 35.03 30.23 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 -0.08 0.59 3.71 0.72 0.00 -0.98 -5.00 105.19 104.15 1oni n GLY 118 Ca -0.10 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.76 3.86 0.04 1.61 0.01 -0.60 -4.95 113.70 110.91 1oni s SER 119 Ca 0.00 2.37 0.23 0.00 1.31 0.00 0.00 55.95 59.86 1oni s SER 119 Cb 0.00 -2.59 0.05 0.00 0.21 0.00 0.00 66.02 63.69 1oni s SER 119 CO 0.00 -2.49 1.03 0.54 0.41 0.00 0.00 173.24 172.73 1oni n ARG 120 N -3.04 0.26 -3.58 12.44 5.12 -1.26 -4.47 116.66 122.14 1oni n ARG 120 Ca 0.14 -0.01 -0.16 0.00 -1.93 0.00 0.00 57.85 55.88 1oni n ARG 120 Cb 0.50 -1.58 -0.07 0.00 -1.16 0.00 0.00 32.46 30.16 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 -3.18 0.00 -0.02 0.55 2.07 -1.26 -1.77 121.20 117.60 1oni s ILE 121 Ca 0.04 -0.03 -0.01 0.00 -1.41 0.00 0.00 60.65 59.24 1oni s ILE 121 Cb 0.15 -0.96 0.01 0.00 0.13 0.00 0.00 42.46 41.79 1oni s ILE 121 CO 0.80 -0.02 0.03 -0.70 -1.91 0.00 0.00 174.94 173.15 1oni s GLU 122 N -0.70 0.02 -0.07 3.50 2.12 -0.40 -4.46 118.70 118.71 1oni s GLU 122 Ca -0.08 0.09 0.01 0.00 0.36 0.00 0.00 54.97 55.36 1oni s GLU 122 Cb -0.02 -0.06 0.02 0.00 0.26 0.00 0.00 34.13 34.33 1oni s GLU 122 CO 0.07 -0.05 -0.09 0.42 -0.54 0.00 0.00 175.26 175.06 1oni s ILE 123 N 0.34 0.98 0.37 -3.70 1.01 -0.62 -1.12 121.20 118.46 1oni s ILE 123 Ca -0.03 -0.35 0.08 0.00 0.00 0.00 0.00 60.65 60.35 1oni s ILE 123 Cb -0.04 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 1oni s ILE 123 CO -0.01 0.33 0.19 -1.83 0.00 0.00 0.00 174.94 173.62 1oni s GLU 124 N 1.00 2.36 0.15 2.79 -1.05 -0.78 -0.29 118.70 122.88 1oni s GLU 124 Ca -0.09 -1.62 -0.22 0.00 -0.15 0.00 0.00 54.97 52.90 1oni s GLU 124 Cb -0.15 -2.16 0.06 0.00 -0.44 0.00 0.00 34.13 31.45 1oni s GLU 124 CO -0.00 0.01 0.56 0.00 0.95 0.00 0.00 175.26 176.78 1oni s ALA 125 N -2.47 -1.47 -0.08 -0.84 0.00 -1.15 -1.91 121.76 113.84 1oni s ALA 125 Ca 0.40 0.39 0.04 0.00 0.00 0.00 0.00 51.96 52.79 1oni s ALA 125 Cb -0.01 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.95 1oni s ALA 125 CO 0.23 -0.74 -0.21 0.08 0.00 0.00 0.00 175.76 175.13 1oni s VAL 126 N -3.71 1.77 0.14 0.00 1.01 0.17 -0.98 120.40 118.80 1oni s VAL 126 Ca 0.01 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.17 1oni s VAL 126 Cb -0.00 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1oni s VAL 126 CO -0.12 0.50 -0.10 0.00 0.00 0.00 0.00 175.10 175.37 1oni s ALA 127 N 0.32 1.42 -0.12 5.51 0.00 -0.35 -1.07 121.76 127.46 1oni s ALA 127 Ca -0.14 -1.47 0.02 0.00 0.00 0.00 0.00 51.96 50.36 1oni s ALA 127 Cb -0.16 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.02 1oni s ALA 127 CO 0.06 -0.10 -0.17 0.42 0.00 0.00 0.00 175.76 175.97 1oni s ILE 128 N -3.29 1.67 0.23 0.00 -1.09 -0.13 0.19 121.20 118.77 1oni s ILE 128 Ca 0.16 -0.74 -0.32 0.00 -2.23 0.00 0.00 60.65 57.53 1oni s ILE 128 Cb 0.02 -1.51 -0.12 0.00 -1.58 0.00 0.00 42.46 39.27 1oni s ILE 128 CO 0.00 0.47 1.64 0.00 -1.23 0.00 0.00 174.94 175.83 1oni n GLN 129 N 4.25 2.60 -1.22 2.79 6.02 -0.24 -4.77 117.38 126.81 1oni n GLN 129 Ca -0.19 0.93 -0.30 0.00 -0.01 0.00 0.00 57.00 57.43 1oni n GLN 129 Cb 0.51 -2.74 0.24 0.00 1.02 0.00 0.00 30.24 29.27 1oni n GLN 129 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1oni s GLY 130 N 0.88 1.62 0.41 1.08 0.00 -1.26 -4.80 107.32 105.26 1oni s GLY 130 Ca 0.72 -1.07 -0.22 0.00 0.00 0.00 0.00 44.72 44.15 1oni s GLY 130 CO 0.39 -0.17 0.96 2.56 0.00 0.00 0.00 173.10 176.84 1oni s PRO 131 N -5.55 4.28 0.10 2.90 0.04 -1.26 -5.14 135.00 130.37 1oni s PRO 131 Ca 0.72 1.20 0.10 0.00 0.04 0.00 0.00 61.00 63.07 1oni s PRO 131 Cb -0.07 -2.34 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 1oni s PRO 131 CO 0.55 0.01 -0.25 -0.51 0.04 0.00 0.00 177.00 176.85 1oni s LEU 132 N -2.91 2.36 0.09 -3.56 1.43 -1.26 -5.15 118.68 109.68 1oni s LEU 132 Ca 0.59 -0.65 -0.09 0.00 -1.03 0.00 0.00 54.13 52.95 1oni s LEU 132 Cb -0.12 -1.31 0.00 0.00 0.03 0.00 0.00 46.19 44.78 1oni s LEU 132 CO 0.17 0.21 0.21 0.28 0.23 0.00 0.00 176.35 177.45 1oni s THR 133 N -0.99 0.13 -0.81 5.49 -1.32 -1.26 -5.05 115.64 111.84 1oni s THR 133 Ca 0.14 -1.10 0.24 0.00 -1.21 0.00 0.00 61.69 59.77 1oni s THR 133 Cb -0.10 -1.29 -0.00 0.00 -1.51 0.00 0.00 72.50 69.60 1oni s THR 133 CO 0.05 -0.61 1.31 0.35 -2.21 0.00 0.00 174.62 173.52 1oni n THR 134 N -0.02 0.15 -3.35 5.08 -2.24 -1.26 -4.98 114.28 107.66 1oni n THR 134 Ca -0.15 -0.14 -0.27 0.00 -2.27 0.00 0.00 64.05 61.22 1oni n THR 134 Cb 0.62 0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.95 1oni n THR 134 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1oni s ALA 135 N -3.09 3.66 -1.64 6.98 0.00 -1.26 -5.40 121.76 121.01 1oni s ALA 135 Ca 0.08 -0.72 0.13 0.00 0.00 0.00 0.00 51.96 51.45 1oni s ALA 135 Cb 0.15 -2.21 0.10 0.00 0.00 0.00 0.00 23.12 21.17 1oni s ALA 135 CO 0.73 0.13 0.91 0.43 0.00 0.00 0.00 175.76 177.96