#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aob n TRP 60 N 0.00 0.00 -3.06 0.54 4.27 -1.26 -4.97 117.44 112.96 2aob n TRP 60 Ca 0.00 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.20 2aob n TRP 60 Cb 0.00 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 29.89 2aob n TRP 60 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 2aob s PHE 61 N -2.44 3.31 -0.15 -2.67 5.36 -1.26 -0.81 117.98 119.32 2aob s PHE 61 Ca 0.16 0.92 0.17 0.00 -0.96 0.00 0.00 56.93 57.23 2aob s PHE 61 Cb 0.17 -2.88 0.35 0.00 -0.34 0.00 0.00 43.02 40.32 2aob s PHE 61 CO 0.58 -0.31 1.22 1.19 -1.46 0.00 0.00 175.22 176.44 2aob n PHE 62 N 5.63 0.21 -4.99 10.12 3.72 -0.03 -4.97 117.46 127.15 2aob n PHE 62 Ca 0.01 -1.06 0.00 0.00 -0.05 0.00 0.00 57.45 56.35 2aob n PHE 62 Cb 0.49 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 2aob n PHE 62 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2aob n GLY 63 N -1.23 2.16 3.24 1.37 0.00 -1.26 -4.32 105.19 105.15 2aob n GLY 63 Ca 0.18 -0.46 -0.44 0.00 0.00 0.00 0.00 46.02 45.30 2aob n GLY 63 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2aob n LYS 64 N 7.95 3.73 -4.10 1.61 -0.00 -1.26 -0.30 118.16 125.79 2aob n LYS 64 Ca 0.00 -4.23 -0.28 0.00 -0.00 0.00 0.00 58.31 53.80 2aob n LYS 64 Cb 0.00 -2.70 -0.06 0.00 -0.00 0.00 0.00 35.03 32.27 2aob n LYS 64 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2aob s ILE 65 N -0.77 4.34 0.53 0.58 1.01 -1.26 -4.81 121.20 120.82 2aob s ILE 65 Ca 0.35 -1.04 -0.08 0.00 0.00 0.00 0.00 60.65 59.88 2aob s ILE 65 Cb -0.03 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 2aob s ILE 65 CO -0.01 -0.02 0.89 -2.16 0.00 0.00 0.00 174.94 173.63 2aob s PRO 66 N -2.81 3.58 0.49 2.79 0.05 -1.26 -4.67 135.00 133.17 2aob s PRO 66 Ca 0.29 0.44 0.23 0.00 0.05 0.00 0.00 61.00 62.02 2aob s PRO 66 Cb -0.11 -2.25 1.28 0.00 0.05 0.00 0.00 34.50 33.47 2aob s PRO 66 CO 0.22 -0.34 1.93 0.07 0.05 0.00 0.00 177.00 178.92 2aob h ARG 67 N 0.07 0.16 0.00 4.56 0.11 -1.99 -1.24 114.38 116.05 2aob h ARG 67 Ca -0.46 -0.01 -0.05 0.00 0.10 0.00 0.00 59.98 59.56 2aob h ARG 67 Cb 1.20 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 32.23 2aob h ARG 67 CO 0.62 0.11 -0.24 0.00 0.10 0.00 0.00 179.97 180.56 2aob h ALA 68 N 1.65 1.59 0.18 0.08 0.00 -1.98 0.15 119.26 120.93 2aob h ALA 68 Ca 0.36 -0.22 -0.33 0.00 0.00 0.00 0.00 54.91 54.72 2aob h ALA 68 Cb 1.18 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.94 2aob h ALA 68 CO -0.06 0.30 -1.57 1.57 0.00 0.00 0.00 179.25 179.49 2aob h LYS 69 N 0.00 0.38 -0.78 0.00 5.09 -1.62 -0.06 116.57 119.59 2aob h LYS 69 Ca -0.00 -0.65 0.10 0.00 0.09 0.00 0.00 60.65 60.18 2aob h LYS 69 Cb 0.43 0.24 -0.07 0.00 0.10 0.00 0.00 32.23 32.93 2aob h LYS 69 CO 0.03 1.29 0.42 0.00 -2.09 0.00 0.00 179.45 179.09 2aob h ALA 70 N 0.28 1.10 -0.34 0.07 0.00 -1.28 -0.39 119.26 118.70 2aob h ALA 70 Ca -0.27 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2aob h ALA 70 Cb 2.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.77 2aob h ALA 70 CO 0.20 0.02 0.14 0.93 0.00 0.00 0.00 179.25 180.55 2aob h GLU 71 N 0.70 0.51 -0.24 0.00 4.39 -0.63 -0.67 114.58 118.63 2aob h GLU 71 Ca 0.38 -0.09 0.04 0.00 0.34 0.00 0.00 59.36 60.03 2aob h GLU 71 Cb 0.39 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.91 2aob h GLU 71 CO -0.26 0.49 0.00 0.93 -1.16 0.00 0.00 179.01 179.01 2aob h GLU 72 N 0.41 0.08 0.03 2.33 4.39 -0.30 -1.97 114.58 119.54 2aob h GLU 72 Ca 0.11 -0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.59 2aob h GLU 72 Cb 0.17 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2aob h GLU 72 CO -0.01 0.05 -1.04 0.00 -1.16 0.00 0.00 179.01 176.86 2aob h MET 73 N 0.08 0.07 -0.01 2.33 -0.00 -0.95 -3.21 114.93 113.24 2aob h MET 73 Ca 0.11 -0.11 -0.13 0.00 -0.00 0.00 0.00 59.70 59.57 2aob h MET 73 Cb 0.14 0.04 -0.02 0.00 -0.00 0.00 0.00 31.60 31.77 2aob h MET 73 CO -0.19 1.03 -0.61 -0.07 -0.00 0.00 0.00 176.91 177.07 2aob h LEU 74 N 0.02 0.03 -0.97 -0.10 3.38 -1.11 -3.07 115.31 113.48 2aob h LEU 74 Ca -0.04 -0.02 0.37 0.00 0.09 0.00 0.00 57.88 58.28 2aob h LEU 74 Cb 1.78 -0.01 -0.18 0.00 0.09 0.00 0.00 40.66 42.35 2aob h LEU 74 CO 0.14 0.64 0.39 -1.20 0.09 0.00 0.00 178.44 178.50 2aob n SER 75 N -3.82 0.21 -0.16 -0.43 7.64 -0.75 -1.66 113.62 114.66 2aob n SER 75 Ca -0.01 1.63 0.12 0.00 1.01 0.00 0.00 58.87 61.62 2aob n SER 75 Cb 0.61 -0.74 0.30 0.00 -1.01 0.00 0.00 64.21 63.37 2aob n SER 75 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2aob n LYS 76 N -5.27 0.53 -2.51 1.43 4.01 -1.16 -4.91 118.16 110.29 2aob n LYS 76 Ca 0.33 -0.33 -0.36 0.00 -0.51 0.00 0.00 58.31 57.45 2aob n LYS 76 Cb 1.12 -1.49 -0.03 0.00 -0.51 0.00 0.00 35.03 34.11 2aob n LYS 76 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 2aob s GLN 77 N -2.69 3.98 0.06 1.97 -1.52 -0.66 -4.99 119.66 115.81 2aob s GLN 77 Ca 0.19 1.50 -0.08 0.00 -1.95 0.00 0.00 55.36 55.02 2aob s GLN 77 Cb 0.18 -2.37 -0.31 0.00 -0.22 0.00 0.00 33.01 30.30 2aob s GLN 77 CO 0.60 -0.30 1.09 0.07 -0.25 0.00 0.00 175.29 176.50 2aob h ARG 78 N 2.12 0.35 -5.67 2.91 0.11 -1.90 -3.46 114.38 108.84 2aob h ARG 78 Ca -0.49 -0.60 -0.59 0.00 0.10 0.00 0.00 59.98 58.40 2aob h ARG 78 Cb 1.22 0.22 -0.09 0.00 1.11 0.00 0.00 29.97 32.43 2aob h ARG 78 CO 0.61 1.28 -0.02 -1.01 0.10 0.00 0.00 179.97 180.93 2aob s HIS 79 N -2.64 3.43 0.34 4.08 3.76 -1.26 -5.04 115.29 117.97 2aob s HIS 79 Ca -0.06 0.89 -0.27 0.00 -0.15 0.00 0.00 55.06 55.46 2aob s HIS 79 Cb 0.06 -2.67 -0.12 0.00 1.11 0.00 0.00 32.58 30.95 2aob s HIS 79 CO 0.90 -0.02 1.19 -0.25 -0.85 0.00 0.00 174.74 175.72 2aob n ASP 80 N 4.41 2.25 0.00 1.40 8.00 -1.26 -1.81 116.55 129.54 2aob n ASP 80 Ca -0.04 1.18 0.00 0.00 0.71 0.00 0.00 54.79 56.64 2aob n ASP 80 Cb 0.51 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 2aob n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2aob n GLY 81 N 0.92 1.30 3.65 0.44 0.00 0.87 -5.00 105.19 107.36 2aob n GLY 81 Ca 0.06 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.62 2aob n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aob n ALA 82 N -1.63 0.64 -2.45 4.61 0.00 -0.75 -4.68 120.51 116.25 2aob n ALA 82 Ca 0.00 0.43 -0.08 0.00 0.00 0.00 0.00 53.44 53.79 2aob n ALA 82 Cb 0.00 -2.22 -0.08 0.00 0.00 0.00 0.00 19.45 17.15 2aob n ALA 82 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2aob s PHE 83 N 0.05 0.25 0.08 0.00 -0.12 -1.26 -1.39 117.98 115.59 2aob s PHE 83 Ca 0.71 -0.70 0.00 0.00 -0.05 0.00 0.00 56.93 56.90 2aob s PHE 83 Cb -0.71 -0.16 -0.04 0.00 -0.63 0.00 0.00 43.02 41.48 2aob s PHE 83 CO 0.49 -0.48 -0.04 -0.48 -0.05 0.00 0.00 175.22 174.66 2aob s LEU 84 N -2.77 2.46 -0.14 -1.99 0.05 -0.51 -4.93 118.68 110.85 2aob s LEU 84 Ca 0.04 -1.02 -0.02 0.00 0.05 0.00 0.00 54.13 53.19 2aob s LEU 84 Cb 0.05 0.07 -0.02 0.00 -2.05 0.00 0.00 46.19 44.24 2aob s LEU 84 CO -0.10 -0.54 -0.08 -0.63 -0.55 0.00 0.00 176.35 174.45 2aob s ILE 85 N -3.78 3.55 0.46 1.48 1.01 0.01 -1.25 121.20 122.67 2aob s ILE 85 Ca 0.10 -0.49 0.03 0.00 0.00 0.00 0.00 60.65 60.30 2aob s ILE 85 Cb 0.07 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.98 2aob s ILE 85 CO -0.07 0.52 0.03 0.00 0.00 0.00 0.00 174.94 175.42 2aob s ARG 86 N 0.24 2.05 0.06 2.79 1.70 -0.10 -0.85 118.95 124.85 2aob s ARG 86 Ca -0.05 -2.26 0.06 0.00 -0.47 0.00 0.00 55.73 53.01 2aob s ARG 86 Cb -0.15 -1.36 -0.03 0.00 -0.57 0.00 0.00 34.95 32.85 2aob s ARG 86 CO 0.04 -0.29 -0.18 -2.00 -1.08 0.00 0.00 175.30 171.79 2aob s GLU 87 N -3.81 1.08 0.18 3.89 2.12 0.59 -1.19 118.70 121.55 2aob s GLU 87 Ca 0.18 -0.96 -0.33 0.00 0.36 0.00 0.00 54.97 54.22 2aob s GLU 87 Cb 0.04 -1.19 -0.14 0.00 0.26 0.00 0.00 34.13 33.11 2aob s GLU 87 CO 0.09 0.29 1.56 0.45 -0.54 0.00 0.00 175.26 177.11 2aob n SER 88 N 1.53 3.12 0.00 -1.70 2.88 0.01 -4.22 113.62 115.24 2aob n SER 88 Ca -0.19 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.44 2aob n SER 88 Cb 0.54 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 2aob n SER 88 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2aob n GLU 89 N 3.18 0.00 0.00 -1.46 1.02 -1.26 -4.00 120.64 118.13 2aob n GLU 89 Ca 0.16 0.35 0.00 0.00 -0.02 0.00 0.00 57.16 57.64 2aob n GLU 89 Cb 0.30 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 2aob n GLU 89 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2aob n SER 90 N -1.33 -0.02 -4.42 1.62 7.64 -1.26 -5.00 113.62 110.85 2aob n SER 90 Ca 0.00 0.01 -0.44 0.00 1.01 0.00 0.00 58.87 59.46 2aob n SER 90 Cb 0.05 0.07 -0.04 0.00 -1.01 0.00 0.00 64.21 63.28 2aob n SER 90 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2aob s ALA 91 N -2.00 3.27 0.50 -0.43 0.00 -1.26 -5.04 121.76 116.81 2aob s ALA 91 Ca 0.00 -2.12 -0.19 0.00 0.00 0.00 0.00 51.96 49.65 2aob s ALA 91 Cb 0.00 -3.76 -0.08 0.00 0.00 0.00 0.00 23.12 19.28 2aob s ALA 91 CO 0.00 -2.64 1.02 -2.14 0.00 0.00 0.00 175.76 172.00 2aob s PRO 92 N 3.32 3.82 0.00 0.00 0.02 -1.26 -3.13 135.00 137.77 2aob s PRO 92 Ca 0.19 1.22 0.00 0.00 0.02 0.00 0.00 61.00 62.43 2aob s PRO 92 Cb -0.18 -2.11 0.00 0.00 0.02 0.00 0.00 34.50 32.23 2aob s PRO 92 CO 0.06 -0.40 0.00 0.41 -0.33 0.00 0.00 177.00 176.74 2aob n GLY 93 N -0.67 0.29 3.58 0.52 0.00 -1.26 -5.01 105.19 102.63 2aob n GLY 93 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 2aob n GLY 93 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aob s ASP 94 N -2.02 5.33 0.12 1.61 2.15 -1.18 -5.03 116.67 117.64 2aob s ASP 94 Ca 0.00 0.00 0.10 0.00 0.43 0.00 0.00 52.55 53.08 2aob s ASP 94 Cb 0.00 -1.90 -0.04 0.00 -0.30 0.00 0.00 42.92 40.68 2aob s ASP 94 CO 0.00 0.17 -0.22 -0.36 -0.17 0.00 0.00 175.17 174.59 2aob s PHE 95 N 0.39 2.44 0.12 -5.34 0.08 -1.26 -0.81 117.98 113.60 2aob s PHE 95 Ca 0.01 -0.31 0.09 0.00 0.12 0.00 0.00 56.93 56.83 2aob s PHE 95 Cb -0.13 -1.32 -0.04 0.00 -0.57 0.00 0.00 43.02 40.97 2aob s PHE 95 CO 0.01 0.35 -0.21 -1.12 -0.10 0.00 0.00 175.22 174.15 2aob s SER 96 N -2.04 2.67 -0.16 1.36 0.01 -0.34 -1.11 113.70 114.09 2aob s SER 96 Ca 0.16 -0.73 -0.01 0.00 1.31 0.00 0.00 55.95 56.68 2aob s SER 96 Cb -0.10 -0.15 -0.01 0.00 0.21 0.00 0.00 66.02 65.96 2aob s SER 96 CO 0.08 0.06 -0.11 -0.22 0.41 0.00 0.00 173.24 173.46 2aob s LEU 97 N -2.07 2.74 -0.03 2.44 2.96 0.44 -0.92 118.68 124.23 2aob s LEU 97 Ca 0.09 -0.36 0.07 0.00 -0.22 0.00 0.00 54.13 53.70 2aob s LEU 97 Cb -0.09 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 44.94 2aob s LEU 97 CO 0.05 0.10 -0.24 -0.44 -1.32 0.00 0.00 176.35 174.51 2aob s SER 98 N 0.73 2.82 -0.09 3.68 0.01 -0.38 -0.11 113.70 120.36 2aob s SER 98 Ca -0.05 -0.45 -0.04 0.00 1.31 0.00 0.00 55.95 56.72 2aob s SER 98 Cb -0.15 -0.50 0.04 0.00 0.21 0.00 0.00 66.02 65.62 2aob s SER 98 CO 0.02 0.27 0.20 -0.69 0.41 0.00 0.00 173.24 173.44 2aob s VAL 99 N -0.38 -0.04 0.08 3.43 1.01 -0.35 -1.42 120.40 122.73 2aob s VAL 99 Ca 0.04 0.16 -0.31 0.00 0.00 0.00 0.00 61.98 61.87 2aob s VAL 99 Cb -0.11 -0.32 -0.07 0.00 0.00 0.00 0.00 36.38 35.88 2aob s VAL 99 CO 0.01 0.06 1.35 -0.75 0.00 0.00 0.00 175.10 175.77 2aob s LYS 100 N 1.19 4.34 -0.17 2.72 2.47 -0.49 -0.64 119.74 129.15 2aob s LYS 100 Ca -0.09 1.98 -0.05 0.00 -1.56 0.00 0.00 55.97 56.26 2aob s LYS 100 Cb -0.11 -3.33 0.07 0.00 -1.46 0.00 0.00 37.83 33.00 2aob s LYS 100 CO -0.07 -0.42 0.12 0.12 0.16 0.00 0.00 175.35 175.26 2aob s PHE 101 N 1.32 0.09 0.00 4.03 5.36 -0.26 -0.09 117.98 128.43 2aob s PHE 101 Ca 0.63 -0.18 0.00 0.00 -0.96 0.00 0.00 56.93 56.42 2aob s PHE 101 Cb -0.34 -0.61 0.00 0.00 -0.34 0.00 0.00 43.02 41.73 2aob s PHE 101 CO 0.29 -0.52 0.00 0.41 -1.46 0.00 0.00 175.22 173.94 2aob n GLY 102 N 5.29 3.17 0.81 13.12 0.00 -1.26 -1.63 105.19 124.68 2aob n GLY 102 Ca -0.07 -0.23 0.10 0.00 0.00 0.00 0.00 46.02 45.83 2aob n GLY 102 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2aob n ASN 103 N 4.03 2.40 -4.74 1.61 6.94 -1.26 -4.92 115.26 119.31 2aob n ASN 103 Ca 0.00 -1.86 -0.25 0.00 -0.02 0.00 0.00 54.58 52.45 2aob n ASN 103 Cb 0.00 -0.19 -0.07 0.00 -2.36 0.00 0.00 39.78 37.15 2aob n ASN 103 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 2aob s ASP 104 N -1.43 4.40 -0.08 0.53 1.01 -0.65 -5.00 116.67 115.45 2aob s ASP 104 Ca 0.34 -1.10 0.01 0.00 0.71 0.00 0.00 52.55 52.51 2aob s ASP 104 Cb 0.19 -0.46 0.02 0.00 1.01 0.00 0.00 42.92 43.68 2aob s ASP 104 CO 0.27 -0.55 -0.08 -0.69 0.21 0.00 0.00 175.17 174.33 2aob s VAL 105 N -2.61 0.92 -0.00 -1.27 1.01 -1.26 -1.10 120.40 116.09 2aob s VAL 105 Ca 0.41 -0.28 -0.04 0.00 0.00 0.00 0.00 61.98 62.06 2aob s VAL 105 Cb 0.04 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 2aob s VAL 105 CO 0.22 0.33 0.22 -1.10 0.00 0.00 0.00 175.10 174.77 2aob s GLN 106 N 1.29 3.49 -0.11 2.72 -0.21 0.18 -4.91 119.66 122.11 2aob s GLN 106 Ca -0.04 -0.22 0.01 0.00 0.02 0.00 0.00 55.36 55.13 2aob s GLN 106 Cb -0.14 -3.09 0.02 0.00 1.00 0.00 0.00 33.01 30.81 2aob s GLN 106 CO -0.03 0.66 -0.13 -1.01 -2.12 0.00 0.00 175.29 172.67 2aob s HIS 107 N -1.32 1.81 -0.05 0.91 3.76 -1.26 -1.21 115.29 117.92 2aob s HIS 107 Ca 0.27 -0.88 0.04 0.00 -0.15 0.00 0.00 55.06 54.35 2aob s HIS 107 Cb -0.13 -1.35 -0.02 0.00 1.11 0.00 0.00 32.58 32.19 2aob s HIS 107 CO 0.17 -0.50 -0.17 -0.06 -0.85 0.00 0.00 174.74 173.34 2aob s PHE 108 N 1.23 2.64 0.11 1.40 0.08 0.84 -4.98 117.98 119.30 2aob s PHE 108 Ca -0.02 -0.30 -0.25 0.00 0.12 0.00 0.00 56.93 56.47 2aob s PHE 108 Cb -0.14 -1.63 -0.07 0.00 -0.57 0.00 0.00 43.02 40.61 2aob s PHE 108 CO -0.04 0.07 0.77 0.21 -0.10 0.00 0.00 175.22 176.13 2aob s LYS 109 N -0.54 4.53 -0.33 0.44 2.47 -1.26 -0.42 119.74 124.63 2aob s LYS 109 Ca 0.07 1.11 -0.23 0.00 -1.56 0.00 0.00 55.97 55.37 2aob s LYS 109 Cb -0.11 -3.30 0.00 0.00 -1.46 0.00 0.00 37.83 32.95 2aob s LYS 109 CO 0.01 0.45 0.76 0.08 0.16 0.00 0.00 175.35 176.81 2aob s VAL 110 N -0.67 4.79 0.23 4.02 1.01 -0.26 -4.71 120.40 124.80 2aob s VAL 110 Ca 0.37 1.03 -0.07 0.00 0.00 0.00 0.00 61.98 63.31 2aob s VAL 110 Cb -0.22 -4.15 -0.06 0.00 0.00 0.00 0.00 36.38 31.95 2aob s VAL 110 CO 0.25 -0.30 0.51 -0.76 0.00 0.00 0.00 175.10 174.80 2aob s LEU 111 N 2.95 4.16 0.11 3.92 1.43 0.38 -4.53 118.68 127.10 2aob s LEU 111 Ca 0.31 0.77 0.09 0.00 -1.03 0.00 0.00 54.13 54.28 2aob s LEU 111 Cb -0.14 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 2aob s LEU 111 CO 0.14 -0.08 -0.24 -0.13 0.23 0.00 0.00 176.35 176.27 2aob s ARG 112 N -3.00 1.28 0.06 1.70 1.81 -1.26 -1.48 118.95 118.06 2aob s ARG 112 Ca 0.45 -1.23 0.01 0.00 -1.72 0.00 0.00 55.73 53.24 2aob s ARG 112 Cb -0.11 -1.64 0.01 0.00 -0.45 0.00 0.00 34.95 32.76 2aob s ARG 112 CO 0.25 0.39 0.06 -0.40 -0.68 0.00 0.00 175.30 174.91 2aob n ASP 113 N 1.08 0.86 0.11 0.23 5.68 -0.67 -4.96 116.55 118.88 2aob n ASP 113 Ca -0.19 -1.20 0.11 0.00 -0.50 0.00 0.00 54.79 53.02 2aob n ASP 113 Cb 0.53 -0.02 0.47 0.00 -1.14 0.00 0.00 41.12 40.96 2aob n ASP 113 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2aob n GLY 114 N 4.24 -1.26 0.82 6.12 0.00 -1.26 -1.77 105.19 112.08 2aob n GLY 114 Ca 0.00 0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.20 2aob n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aob n ALA 115 N -1.74 2.48 -1.00 4.61 0.00 -1.26 -4.96 120.51 118.65 2aob n ALA 115 Ca 0.02 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.74 2aob n ALA 115 Cb 0.23 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.69 2aob n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aob n GLY 116 N 1.30 0.42 3.80 0.00 0.00 -0.73 -5.04 105.19 104.94 2aob n GLY 116 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 2aob n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aob s LYS 117 N -0.36 3.39 -0.03 1.61 3.01 -1.26 -4.80 119.74 121.31 2aob s LYS 117 Ca 0.00 1.25 0.03 0.00 -1.01 0.00 0.00 55.97 56.24 2aob s LYS 117 Cb 0.00 -2.04 -0.03 0.00 -1.01 0.00 0.00 37.83 34.75 2aob s LYS 117 CO 0.00 -0.75 -0.10 0.71 0.51 0.00 0.00 175.35 175.72 2aob s TYR 118 N -2.34 2.83 0.12 3.18 2.02 -1.26 -1.67 117.35 120.23 2aob s TYR 118 Ca 0.65 -0.07 -0.24 0.00 -0.37 0.00 0.00 57.07 57.04 2aob s TYR 118 Cb -0.16 -1.63 0.07 0.00 -0.40 0.00 0.00 41.96 39.83 2aob s TYR 118 CO 0.34 0.30 0.60 -0.59 -1.57 0.00 0.00 175.55 174.63 2aob s PHE 119 N -0.87 -0.54 -0.13 2.71 -0.12 -0.55 -4.99 117.98 113.49 2aob s PHE 119 Ca 0.14 0.44 0.06 0.00 -0.05 0.00 0.00 56.93 57.51 2aob s PHE 119 Cb -0.11 0.52 -0.12 0.00 -0.63 0.00 0.00 43.02 42.68 2aob s PHE 119 CO 0.04 -0.80 -0.05 1.28 -0.05 0.00 0.00 175.22 175.63 2aob n LEU 120 N -0.16 1.56 -4.18 -1.99 4.77 -1.26 -0.47 117.00 115.26 2aob n LEU 120 Ca -0.17 -0.04 -0.17 0.00 -0.03 0.00 0.00 56.01 55.60 2aob n LEU 120 Cb 0.64 -0.14 -0.11 0.00 -2.33 0.00 0.00 43.42 41.48 2aob n LEU 120 CO 0.14 0.53 -0.44 0.26 -1.33 0.00 0.00 177.39 176.56 2aob s TRP 121 N -2.29 1.18 -0.53 -1.77 0.52 -1.26 -4.91 118.94 109.87 2aob s TRP 121 Ca -0.13 -0.55 -0.17 0.00 0.02 0.00 0.00 56.10 55.27 2aob s TRP 121 Cb 0.04 -0.64 0.10 0.00 -1.15 0.00 0.00 33.47 31.82 2aob s TRP 121 CO 0.41 0.05 0.54 0.08 0.02 0.00 0.00 176.95 178.05 2aob s VAL 122 N -1.86 5.08 -1.28 4.03 1.01 -1.26 -5.00 120.40 121.13 2aob s VAL 122 Ca 0.02 -1.11 -0.15 0.00 0.00 0.00 0.00 61.98 60.75 2aob s VAL 122 Cb -0.07 -4.31 0.12 0.00 0.00 0.00 0.00 36.38 32.13 2aob s VAL 122 CO 0.02 -0.83 1.68 0.52 0.00 0.00 0.00 175.10 176.48 2aob n VAL 123 N 5.36 4.07 -4.06 2.92 0.31 -1.26 -4.89 118.33 120.78 2aob n VAL 123 Ca -0.11 -4.29 -0.07 0.00 -0.01 0.00 0.00 64.34 59.85 2aob n VAL 123 Cb 0.42 -2.42 -0.10 0.00 -0.91 0.00 0.00 33.84 30.83 2aob n VAL 123 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2aob s LYS 124 N 2.59 0.64 0.03 5.55 1.02 -1.26 -5.17 119.74 123.14 2aob s LYS 124 Ca 0.47 -1.19 0.03 0.00 0.02 0.00 0.00 55.97 55.30 2aob s LYS 124 Cb 0.03 0.23 -0.02 0.00 -0.52 0.00 0.00 37.83 37.55 2aob s LYS 124 CO 0.02 -0.13 -0.09 -0.06 -0.92 0.00 0.00 175.35 174.17 2aob s PHE 125 N -3.91 0.77 -0.86 3.18 0.08 -1.26 -5.04 117.98 110.94 2aob s PHE 125 Ca 0.07 -0.35 0.26 0.00 0.12 0.00 0.00 56.93 57.03 2aob s PHE 125 Cb 0.08 -0.47 1.00 0.00 -0.57 0.00 0.00 43.02 43.06 2aob s PHE 125 CO -0.10 -0.03 1.82 -1.71 -0.10 0.00 0.00 175.22 175.10 2aob n ASN 126 N 1.96 0.38 -3.88 1.36 5.15 -1.26 -4.84 115.26 114.12 2aob n ASN 126 Ca -0.19 0.54 -0.11 0.00 -0.60 0.00 0.00 54.58 54.23 2aob n ASN 126 Cb 0.56 -0.64 -0.10 0.00 -0.53 0.00 0.00 39.78 39.07 2aob n ASN 126 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2aob s SER 127 N -3.71 0.05 0.26 1.20 1.04 -1.26 -5.03 113.70 106.25 2aob s SER 127 Ca 0.11 -0.26 -0.04 0.00 0.48 0.00 0.00 55.95 56.25 2aob s SER 127 Cb 0.15 0.20 0.37 0.00 0.10 0.00 0.00 66.02 66.84 2aob s SER 127 CO 0.53 -0.38 1.87 -0.07 0.98 0.00 0.00 173.24 176.17 2aob h LEU 128 N 4.22 0.97 -0.99 2.42 4.07 -2.00 -2.12 115.31 121.88 2aob h LEU 128 Ca -0.31 0.01 -0.06 0.00 0.08 0.00 0.00 57.88 57.61 2aob h LEU 128 Cb 1.19 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.72 2aob h LEU 128 CO 0.41 0.62 0.11 -1.13 -1.08 0.00 0.00 178.44 177.37 2aob h ASN 129 N 1.10 0.79 -0.57 -0.43 -1.24 -1.99 -0.82 115.58 112.42 2aob h ASN 129 Ca 0.41 -0.15 -0.00 0.00 0.71 0.00 0.00 56.30 57.27 2aob h ASN 129 Cb 0.16 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 38.98 2aob h ASN 129 CO -0.17 0.79 0.35 -0.33 -1.29 0.00 0.00 177.43 176.77 2aob h GLU 130 N 0.80 0.77 -0.07 6.67 5.08 -1.93 -0.53 114.58 125.37 2aob h GLU 130 Ca 0.17 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2aob h GLU 130 Cb 0.33 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2aob h GLU 130 CO 0.00 0.55 0.05 1.25 -1.00 0.00 0.00 179.01 179.86 2aob h LEU 131 N 0.77 0.08 -0.51 1.33 6.46 -0.76 -1.09 115.31 121.59 2aob h LEU 131 Ca 0.21 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.94 2aob h LEU 131 Cb -0.03 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 39.86 2aob h LEU 131 CO -0.04 0.09 0.32 -0.37 -0.62 0.00 0.00 178.44 177.82 2aob h VAL 132 N 0.08 1.15 -0.74 1.05 -1.51 -1.06 -1.64 116.25 113.56 2aob h VAL 132 Ca 0.03 -0.31 0.03 0.00 -1.23 0.00 0.00 66.70 65.22 2aob h VAL 132 Cb 0.02 0.44 -0.05 0.00 -2.13 0.00 0.00 31.29 29.57 2aob h VAL 132 CO -0.01 0.15 0.47 0.44 -1.23 0.00 0.00 177.57 177.39 2aob h ASP 133 N 0.68 0.77 -0.40 4.19 3.32 -0.85 -0.57 116.42 123.56 2aob h ASP 133 Ca 0.18 -0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.30 2aob h ASP 133 Cb -0.04 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.28 2aob h ASP 133 CO -0.04 0.53 0.03 0.22 -1.72 0.00 0.00 179.24 178.27 2aob h TYR 134 N 0.91 0.03 0.00 4.55 3.20 -1.04 -2.38 116.97 122.25 2aob h TYR 134 Ca 0.30 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.20 2aob h TYR 134 Cb 0.02 0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.34 2aob h TYR 134 CO -0.04 -0.05 0.00 0.72 -1.64 0.00 0.00 178.16 177.16 2aob n HIS 135 N -5.16 0.00 0.25 -3.82 8.25 -0.32 -2.03 115.22 112.39 2aob n HIS 135 Ca 0.03 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.61 2aob n HIS 135 Cb 0.20 -0.11 0.63 0.00 1.12 0.00 0.00 29.99 31.84 2aob n HIS 135 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2aob h ARG 136 N 0.00 0.00 0.00 -0.41 3.08 -0.75 -1.54 114.38 114.76 2aob h ARG 136 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2aob h ARG 136 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2aob h ARG 136 CO 0.00 0.16 -0.96 0.43 -1.07 0.00 0.00 179.97 178.53 2aob n SER 137 N -3.54 3.28 -4.03 7.04 7.64 -0.86 -4.46 113.62 118.69 2aob n SER 137 Ca -0.01 -0.13 -0.20 0.00 1.01 0.00 0.00 58.87 59.54 2aob n SER 137 Cb 0.31 1.14 -0.15 0.00 -1.01 0.00 0.00 64.21 64.49 2aob n SER 137 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2aob s THR 138 N -2.07 0.86 0.46 0.44 2.01 -0.96 -5.08 115.64 111.29 2aob s THR 138 Ca -0.01 -0.43 -0.25 0.00 0.31 0.00 0.00 61.69 61.31 2aob s THR 138 Cb 0.03 -0.74 -0.08 0.00 0.01 0.00 0.00 72.50 71.72 2aob s THR 138 CO 0.16 0.25 1.43 -0.55 -0.69 0.00 0.00 174.62 175.22 2aob s SER 139 N -0.03 5.81 0.24 3.53 0.15 -1.26 -4.23 113.70 117.90 2aob s SER 139 Ca 0.00 2.93 0.23 0.00 0.70 0.00 0.00 55.95 59.82 2aob s SER 139 Cb -0.07 -2.65 0.94 0.00 -1.71 0.00 0.00 66.02 62.53 2aob s SER 139 CO 0.00 -1.22 1.71 1.33 1.20 0.00 0.00 173.24 176.25 2aob n VAL 140 N -0.27 0.81 -4.71 4.45 0.24 -0.59 -4.86 118.33 113.39 2aob n VAL 140 Ca 0.05 0.17 -0.30 0.00 -2.04 0.00 0.00 64.34 62.23 2aob n VAL 140 Cb 0.42 -1.09 -0.13 0.00 -1.47 0.00 0.00 33.84 31.57 2aob n VAL 140 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2aob s SER 141 N -4.19 3.58 0.13 -1.34 0.15 -1.26 -5.04 113.70 105.73 2aob s SER 141 Ca 0.05 -0.50 -0.13 0.00 0.70 0.00 0.00 55.95 56.08 2aob s SER 141 Cb 0.10 -0.49 -0.04 0.00 -1.71 0.00 0.00 66.02 63.88 2aob s SER 141 CO 0.41 0.25 1.49 0.03 1.20 0.00 0.00 173.24 176.62 2aob h ARG 142 N 4.56 0.83 0.04 5.44 3.08 -2.01 -3.37 114.38 122.96 2aob h ARG 142 Ca -0.48 -0.39 -0.33 0.00 0.07 0.00 0.00 59.98 58.86 2aob h ARG 142 Cb 1.15 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.15 2aob h ARG 142 CO 0.46 1.02 -1.90 0.09 -1.07 0.00 0.00 179.97 178.57 2aob n ASN 143 N -4.21 1.28 -4.68 7.04 3.02 -1.26 -5.02 115.26 111.43 2aob n ASN 143 Ca -0.02 0.29 -0.24 0.00 -0.03 0.00 0.00 54.58 54.58 2aob n ASN 143 Cb 0.45 -0.27 -0.08 0.00 -0.61 0.00 0.00 39.78 39.27 2aob n ASN 143 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2aob s GLN 144 N -2.57 2.19 -0.49 3.52 -0.21 -1.26 -5.09 119.66 115.75 2aob s GLN 144 Ca -0.13 -1.72 -0.09 0.00 0.02 0.00 0.00 55.36 53.44 2aob s GLN 144 Cb 0.07 -2.00 0.12 0.00 1.00 0.00 0.00 33.01 32.21 2aob s GLN 144 CO 0.80 0.07 0.36 -0.65 -2.12 0.00 0.00 175.29 173.74 2aob s GLN 145 N -3.80 2.51 -0.18 2.91 -1.52 -1.26 -4.19 119.66 114.13 2aob s GLN 145 Ca 0.37 -1.83 -0.00 0.00 -1.95 0.00 0.00 55.36 51.95 2aob s GLN 145 Cb 0.00 -3.93 0.04 0.00 -0.22 0.00 0.00 33.01 28.90 2aob s GLN 145 CO 0.21 -1.20 -0.07 0.42 -0.25 0.00 0.00 175.29 174.41 2aob s ILE 146 N 1.26 1.26 -0.08 1.08 1.01 -1.26 -5.04 121.20 119.42 2aob s ILE 146 Ca 0.07 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 59.99 2aob s ILE 146 Cb -0.25 -1.41 -0.02 0.00 0.01 0.00 0.00 42.46 40.78 2aob s ILE 146 CO -0.01 0.13 -0.12 -0.36 0.00 0.00 0.00 174.94 174.58 2aob s PHE 147 N 1.56 2.80 0.32 3.97 0.08 -1.26 -1.55 117.98 123.91 2aob s PHE 147 Ca 0.00 -0.25 -0.29 0.00 0.12 0.00 0.00 56.93 56.52 2aob s PHE 147 Cb -0.16 -1.72 -0.10 0.00 -0.57 0.00 0.00 43.02 40.47 2aob s PHE 147 CO -0.08 0.11 1.23 -0.51 -0.10 0.00 0.00 175.22 175.87 2aob s LEU 148 N -0.41 4.44 -0.03 -0.37 1.43 -0.58 -4.95 118.68 118.21 2aob s LEU 148 Ca 0.05 2.53 -0.01 0.00 -1.03 0.00 0.00 54.13 55.67 2aob s LEU 148 Cb -0.12 -3.68 0.02 0.00 0.03 0.00 0.00 46.19 42.44 2aob s LEU 148 CO 0.02 -0.44 0.05 -0.13 0.23 0.00 0.00 176.35 176.09 2aob s ARG 149 N -1.75 0.01 0.42 1.70 1.81 -1.26 -4.47 118.95 115.42 2aob s ARG 149 Ca 0.48 0.17 -0.26 0.00 -1.72 0.00 0.00 55.73 54.40 2aob s ARG 149 Cb -0.37 -0.13 -0.10 0.00 -0.45 0.00 0.00 34.95 33.91 2aob s ARG 149 CO 0.48 -0.10 1.45 -0.25 -0.68 0.00 0.00 175.30 176.20 2aob n ASP 150 N 3.75 3.50 0.00 0.23 10.43 -1.26 -5.20 116.55 128.00 2aob n ASP 150 Ca -0.21 1.17 0.00 0.00 2.57 0.00 0.00 54.79 58.31 2aob n ASP 150 Cb 0.54 -1.61 0.00 0.00 1.84 0.00 0.00 41.12 41.89 2aob n ASP 150 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75