#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wha s SER 2 N 0.00 -0.46 -0.08 1.61 0.15 -1.26 -5.16 113.70 108.51 1wha s SER 2 Ca 0.00 0.83 0.05 0.00 0.70 0.00 0.00 55.95 57.53 1wha s SER 2 Cb 0.00 0.75 -0.01 0.00 -1.71 0.00 0.00 66.02 65.05 1wha s SER 2 CO 0.00 -0.17 -0.24 -0.44 1.20 0.00 0.00 173.24 173.58 1wha s SER 3 N 1.03 3.10 -0.42 5.45 0.01 -1.26 -5.03 113.70 116.58 1wha s SER 3 Ca -0.07 -0.53 0.04 0.00 1.31 0.00 0.00 55.95 56.71 1wha s SER 3 Cb -0.07 -1.11 0.46 0.00 0.21 0.00 0.00 66.02 65.51 1wha s SER 3 CO -0.08 0.21 1.50 0.61 0.41 0.00 0.00 173.24 175.89 1wha n GLY 4 N 3.21 6.11 3.83 3.44 0.00 -1.26 -5.03 105.19 115.49 1wha n GLY 4 Ca -0.18 -2.43 -0.33 0.00 0.00 0.00 0.00 46.02 43.08 1wha n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wha s SER 5 N -2.91 6.82 1.32 1.61 0.01 -1.26 -4.74 113.70 114.55 1wha s SER 5 Ca 0.55 1.57 -0.19 0.00 1.31 0.00 0.00 55.95 59.20 1wha s SER 5 Cb 0.44 -2.50 0.32 0.00 0.21 0.00 0.00 66.02 64.50 1wha s SER 5 CO 0.02 -0.39 0.85 -1.20 0.41 0.00 0.00 173.24 172.92 1wha n SER 6 N -0.86 -3.07 -3.28 2.44 7.64 -1.26 -4.79 113.62 110.44 1wha n SER 6 Ca 0.06 -0.53 -0.21 0.00 1.01 0.00 0.00 58.87 59.20 1wha n SER 6 Cb 0.54 -1.09 -0.08 0.00 -1.01 0.00 0.00 64.21 62.57 1wha n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wha s GLY 7 N -2.64 0.47 0.29 0.23 0.00 -0.81 -4.97 107.32 99.89 1wha s GLY 7 Ca 0.66 -1.72 -0.11 0.00 0.00 0.00 0.00 44.72 43.55 1wha s GLY 7 CO 0.60 2.52 0.64 1.09 0.00 0.00 0.00 173.10 177.94 1wha s ARG 8 N 0.61 3.84 0.37 2.90 1.70 -1.26 -3.51 118.95 123.59 1wha s ARG 8 Ca 0.27 0.39 0.06 0.00 -0.47 0.00 0.00 55.73 55.98 1wha s ARG 8 Cb -0.04 -2.54 -0.03 0.00 -0.57 0.00 0.00 34.95 31.77 1wha s ARG 8 CO -0.11 0.20 0.21 -1.01 -1.08 0.00 0.00 175.30 173.52 1wha s HIS 9 N -1.98 1.76 -0.16 5.89 3.76 0.86 -4.95 115.29 120.47 1wha s HIS 9 Ca 0.50 -1.51 0.01 0.00 -0.15 0.00 0.00 55.06 53.90 1wha s HIS 9 Cb -0.11 -0.90 0.01 0.00 1.11 0.00 0.00 32.58 32.68 1wha s HIS 9 CO 0.23 -0.63 -0.17 0.54 -0.85 0.00 0.00 174.74 173.85 1wha s VAL 10 N -3.35 2.42 -0.15 -0.90 0.11 -1.26 -0.52 120.40 116.75 1wha s VAL 10 Ca 0.33 -0.84 -0.02 0.00 -2.93 0.00 0.00 61.98 58.52 1wha s VAL 10 Cb 0.02 -2.02 -0.02 0.00 -1.53 0.00 0.00 36.38 32.84 1wha s VAL 10 CO 0.22 0.52 -0.08 0.00 -3.33 0.00 0.00 175.10 172.42 1wha s ALA 11 N 0.99 2.79 -0.33 1.54 0.00 0.15 -4.97 121.76 121.92 1wha s ALA 11 Ca -0.02 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.07 1wha s ALA 11 Cb -0.15 -1.40 0.10 0.00 0.00 0.00 0.00 23.12 21.67 1wha s ALA 11 CO -0.04 0.15 0.06 0.00 0.00 0.00 0.00 175.76 175.93 1wha s LEU 13 N 1.08 3.94 -0.47 0.00 1.43 -1.20 -4.90 118.68 118.56 1wha s LEU 13 Ca 0.11 -0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 52.91 1wha s LEU 13 Cb -0.19 -2.77 0.10 0.00 0.03 0.00 0.00 46.19 43.36 1wha s LEU 13 CO -0.12 -0.47 0.36 0.00 0.23 0.00 0.00 176.35 176.35 1wha s ALA 14 N -2.21 3.45 0.42 4.21 0.00 -1.26 -2.34 121.76 124.03 1wha s ALA 14 Ca 0.46 -2.30 -0.26 0.00 0.00 0.00 0.00 51.96 49.85 1wha s ALA 14 Cb -0.10 -2.92 -0.09 0.00 0.00 0.00 0.00 23.12 20.01 1wha s ALA 14 CO 0.32 -1.80 1.43 0.50 0.00 0.00 0.00 175.76 176.21 1wha s ARG 15 N 1.50 3.87 0.05 0.00 3.52 -0.95 -4.90 118.95 122.03 1wha s ARG 15 Ca 0.04 2.44 0.06 0.00 -0.13 0.00 0.00 55.73 58.14 1wha s ARG 15 Cb -0.25 -2.78 -0.02 0.00 -1.56 0.00 0.00 34.95 30.33 1wha s ARG 15 CO 0.03 -0.68 -0.18 0.45 -0.81 0.00 0.00 175.30 174.11 1wha s SER 16 N -0.41 2.14 0.62 -2.12 0.15 -1.26 -4.65 113.70 108.17 1wha s SER 16 Ca 0.58 -0.50 0.30 0.00 0.70 0.00 0.00 55.95 57.02 1wha s SER 16 Cb -0.44 -0.16 1.61 0.00 -1.71 0.00 0.00 66.02 65.32 1wha s SER 16 CO 0.58 0.10 1.97 1.05 1.20 0.00 0.00 173.24 178.14 1wha h GLU 17 N 4.85 0.00 0.00 5.44 4.11 -1.97 0.45 114.58 127.46 1wha h GLU 17 Ca -0.41 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 58.93 1wha h GLU 17 Cb 1.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1wha h GLU 17 CO 0.44 0.00 -0.45 0.00 0.07 0.00 0.00 179.01 179.06 1wha h ARG 18 N 0.00 0.00 0.00 1.06 2.47 -2.01 -3.48 114.38 112.42 1wha h ARG 18 Ca 0.10 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 1wha h ARG 18 Cb 0.80 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.12 1wha h ARG 18 CO -0.00 0.45 0.00 0.41 0.56 0.00 0.00 179.97 181.39 1wha n GLY 19 N 0.62 3.01 0.32 0.04 0.00 0.16 -4.98 105.19 104.36 1wha n GLY 19 Ca 0.01 -0.69 -0.06 0.00 0.00 0.00 0.00 46.02 45.28 1wha n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wha n LEU 20 N 0.00 -0.70 0.00 0.99 4.77 -1.24 -4.70 117.00 116.11 1wha n LEU 20 Ca 0.00 1.39 0.00 0.00 -0.03 0.00 0.00 56.01 57.37 1wha n LEU 20 Cb 0.00 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1wha n LEU 20 CO 0.00 -1.17 0.00 0.61 -1.33 0.00 0.00 177.39 175.50 1wha n GLY 21 N -1.27 3.38 3.81 -0.72 0.00 -1.26 -4.58 105.19 104.55 1wha n GLY 21 Ca 0.04 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 44.96 1wha n GLY 21 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1wha s PHE 22 N 0.00 3.14 0.43 1.61 -0.12 -1.26 -3.51 117.98 118.27 1wha s PHE 22 Ca 0.00 1.60 0.05 0.00 -0.05 0.00 0.00 56.93 58.53 1wha s PHE 22 Cb 0.00 -2.98 -0.06 0.00 -0.63 0.00 0.00 43.02 39.35 1wha s PHE 22 CO 0.00 -0.52 0.02 0.45 -0.05 0.00 0.00 175.22 175.12 1wha s SER 23 N -2.03 3.77 0.10 1.98 0.15 0.45 -4.96 113.70 113.16 1wha s SER 23 Ca 0.64 -1.46 0.07 0.00 0.70 0.00 0.00 55.95 55.91 1wha s SER 23 Cb -0.14 -0.09 -0.03 0.00 -1.71 0.00 0.00 66.02 64.05 1wha s SER 23 CO 0.18 -0.59 -0.18 0.27 1.20 0.00 0.00 173.24 174.11 1wha s ILE 24 N -2.83 1.55 0.05 6.45 -4.36 -1.26 -2.72 121.20 118.09 1wha s ILE 24 Ca 0.27 -1.54 -0.01 0.00 -0.26 0.00 0.00 60.65 59.11 1wha s ILE 24 Cb 0.07 -1.47 -0.04 0.00 1.25 0.00 0.00 42.46 42.27 1wha s ILE 24 CO 0.14 -0.16 -0.03 0.00 0.24 0.00 0.00 174.94 175.13 1wha s ALA 25 N -1.36 0.51 0.00 2.27 0.00 0.38 -4.71 121.76 118.85 1wha s ALA 25 Ca 0.06 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.81 1wha s ALA 25 Cb -0.09 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.29 1wha s ALA 25 CO 0.04 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.85 1wha n GLY 26 N 0.13 1.11 7.00 0.00 0.00 0.45 -1.31 105.19 112.57 1wha n GLY 26 Ca -0.14 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1wha n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wha n GLY 27 N 0.00 0.72 0.39 -0.02 0.00 0.19 -3.63 105.19 102.83 1wha n GLY 27 Ca 0.00 -0.76 -0.20 0.00 0.00 0.00 0.00 46.02 45.06 1wha n GLY 27 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wha n LYS 28 N 0.00 0.41 -0.42 1.61 4.76 -1.26 -4.56 118.16 118.70 1wha n LYS 28 Ca 0.00 0.18 -0.06 0.00 -2.87 0.00 0.00 58.31 55.56 1wha n LYS 28 Cb 0.00 -1.19 0.03 0.00 -1.84 0.00 0.00 35.03 32.03 1wha n LYS 28 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wha n GLY 29 N 1.79 2.81 2.07 0.72 0.00 -1.26 -4.84 105.19 106.47 1wha n GLY 29 Ca -0.37 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.22 1wha n GLY 29 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wha n SER 30 N 0.37 -0.79 -4.72 1.61 2.88 -1.24 -4.89 113.62 106.84 1wha n SER 30 Ca 0.14 -2.19 -0.42 0.00 -1.33 0.00 0.00 58.87 55.07 1wha n SER 30 Cb 0.70 1.50 -0.03 0.00 -0.75 0.00 0.00 64.21 65.63 1wha n SER 30 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1wha s THR 31 N -2.69 4.39 -0.95 2.46 2.01 -1.25 -4.80 115.64 114.81 1wha s THR 31 Ca 0.19 1.82 -0.24 0.00 0.31 0.00 0.00 61.69 63.76 1wha s THR 31 Cb -0.00 -4.16 -0.06 0.00 0.01 0.00 0.00 72.50 68.29 1wha s THR 31 CO 0.13 0.20 1.95 -2.16 -0.69 0.00 0.00 174.62 174.05 1wha s PRO 32 N 0.58 2.54 0.39 4.92 0.04 -1.26 -0.41 135.00 141.80 1wha s PRO 32 Ca 0.52 -0.45 0.33 0.00 0.04 0.00 0.00 61.00 61.45 1wha s PRO 32 Cb -0.25 -5.10 1.26 0.00 0.04 0.00 0.00 34.50 30.45 1wha s PRO 32 CO 0.30 -3.49 1.19 0.98 0.04 0.00 0.00 177.00 176.02 1wha n TYR 33 N 14.07 0.21 -3.79 0.56 9.36 -1.26 -3.71 117.16 132.59 1wha n TYR 33 Ca 0.41 0.21 -0.21 0.00 3.32 0.00 0.00 57.90 61.63 1wha n TYR 33 Cb 0.47 -0.60 -0.17 0.00 -0.63 0.00 0.00 39.34 38.40 1wha n TYR 33 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1wha s ARG 34 N -4.59 0.41 -0.27 2.98 0.52 -1.26 -5.05 118.95 111.69 1wha s ARG 34 Ca -0.05 0.16 -0.34 0.00 -0.52 0.00 0.00 55.73 54.98 1wha s ARG 34 Cb 0.22 -0.78 -0.10 0.00 0.52 0.00 0.00 34.95 34.81 1wha s ARG 34 CO 0.66 -0.27 2.12 0.00 0.02 0.00 0.00 175.30 177.83 1wha n ALA 35 N 4.96 1.14 -0.03 2.13 0.00 -1.24 0.06 120.51 127.52 1wha n ALA 35 Ca -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1wha n ALA 35 Cb 0.50 -2.60 0.00 0.00 0.00 0.00 0.00 19.45 17.35 1wha n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wha n GLY 36 N 5.87 0.77 3.34 0.00 0.00 -1.26 -5.07 105.19 108.84 1wha n GLY 36 Ca 0.35 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.02 1wha n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wha s ASP 37 N -2.46 4.37 -0.39 1.61 1.11 0.11 -4.98 116.67 116.04 1wha s ASP 37 Ca 0.00 -0.36 0.06 0.00 0.18 0.00 0.00 52.55 52.44 1wha s ASP 37 Cb 0.00 -1.75 0.65 0.00 1.07 0.00 0.00 42.92 42.90 1wha s ASP 37 CO 0.00 0.00 1.81 0.00 1.18 0.00 0.00 175.17 178.16 1wha n ALA 38 N 4.64 5.11 -2.22 5.23 0.00 -1.26 -4.67 120.51 127.34 1wha n ALA 38 Ca -0.18 -2.82 0.00 0.00 0.00 0.00 0.00 53.44 50.44 1wha n ALA 38 Cb 0.51 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1wha n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wha n GLY 39 N -0.93 2.62 3.03 0.00 0.00 -1.26 -4.48 105.19 104.18 1wha n GLY 39 Ca 0.50 -1.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.54 1wha n GLY 39 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wha s ILE 40 N 3.12 -0.22 0.14 -0.61 1.01 -1.26 0.53 121.20 123.91 1wha s ILE 40 Ca 0.00 0.21 0.06 0.00 0.00 0.00 0.00 60.65 60.92 1wha s ILE 40 Cb 0.00 -0.41 -0.04 0.00 0.01 0.00 0.00 42.46 42.02 1wha s ILE 40 CO 0.00 0.09 -0.13 -0.36 0.00 0.00 0.00 174.94 174.53 1wha s PHE 41 N 1.82 1.44 0.15 3.97 0.40 -0.43 -0.32 117.98 125.02 1wha s PHE 41 Ca -0.04 -0.60 -0.31 0.00 -0.60 0.00 0.00 56.93 55.37 1wha s PHE 41 Cb -0.11 -0.73 -0.10 0.00 0.51 0.00 0.00 43.02 42.59 1wha s PHE 41 CO -0.09 0.18 1.56 0.08 0.70 0.00 0.00 175.22 177.65 1wha s VAL 42 N -2.56 2.71 -0.20 -0.44 1.01 -0.53 -0.47 120.40 119.92 1wha s VAL 42 Ca 0.13 0.49 0.12 0.00 0.00 0.00 0.00 61.98 62.73 1wha s VAL 42 Cb -0.02 -3.32 -0.21 0.00 0.00 0.00 0.00 36.38 32.83 1wha s VAL 42 CO 0.03 0.04 -0.02 -1.54 0.00 0.00 0.00 175.10 173.61 1wha n SER 43 N 4.07 0.90 -3.80 3.32 3.41 -1.10 -2.24 113.62 118.17 1wha n SER 43 Ca 0.14 -0.04 -0.12 0.00 -0.26 0.00 0.00 58.87 58.59 1wha n SER 43 Cb 0.39 0.57 -0.08 0.00 -0.26 0.00 0.00 64.21 64.83 1wha n SER 43 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1wha s ARG 44 N -2.46 0.69 -0.01 4.33 6.06 -1.26 -4.94 118.95 121.36 1wha s ARG 44 Ca -0.16 -0.46 0.02 0.00 -2.50 0.00 0.00 55.73 52.63 1wha s ARG 44 Cb 0.06 0.30 0.00 0.00 0.06 0.00 0.00 34.95 35.37 1wha s ARG 44 CO 0.70 -0.20 -0.05 0.42 -2.50 0.00 0.00 175.30 173.67 1wha s ILE 45 N -2.10 0.43 -0.53 4.11 1.01 -1.26 -0.41 121.20 122.45 1wha s ILE 45 Ca -0.08 -0.19 -0.26 0.00 0.00 0.00 0.00 60.65 60.11 1wha s ILE 45 Cb -0.03 -0.40 -0.08 0.00 0.01 0.00 0.00 42.46 41.97 1wha s ILE 45 CO -0.01 0.14 2.42 0.00 0.00 0.00 0.00 174.94 177.49 1wha s ALA 46 N 0.14 1.50 0.25 9.38 0.00 -1.23 -4.87 121.76 126.93 1wha s ALA 46 Ca -0.01 -0.07 -0.31 0.00 0.00 0.00 0.00 51.96 51.56 1wha s ALA 46 Cb -0.05 -4.38 -0.12 0.00 0.00 0.00 0.00 23.12 18.57 1wha s ALA 46 CO -0.00 -4.67 1.66 -2.00 0.00 0.00 0.00 175.76 170.75 1wha s GLU 47 N 8.37 4.12 -1.26 0.00 2.12 -1.26 -1.78 118.70 129.01 1wha s GLU 47 Ca 0.97 2.60 0.00 0.00 0.36 0.00 0.00 54.97 58.90 1wha s GLU 47 Cb -0.16 -3.04 0.00 0.00 0.26 0.00 0.00 34.13 31.18 1wha s GLU 47 CO 0.24 -0.69 0.00 0.41 -0.54 0.00 0.00 175.26 174.67 1wha n GLY 48 N 3.01 -0.41 0.00 -1.50 0.00 -1.26 -4.90 105.19 100.13 1wha n GLY 48 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1wha n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wha n GLY 49 N -0.83 1.81 0.03 -0.02 0.00 -0.73 -4.88 105.19 100.58 1wha n GLY 49 Ca -0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.83 1wha n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wha n ALA 50 N -3.00 0.22 -0.26 4.61 0.00 -1.26 -3.21 120.51 117.61 1wha n ALA 50 Ca 0.00 -0.27 0.05 0.00 0.00 0.00 0.00 53.44 53.22 1wha n ALA 50 Cb 0.00 0.01 0.18 0.00 0.00 0.00 0.00 19.45 19.64 1wha n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wha h ALA 51 N -1.54 1.07 0.34 0.00 0.00 -1.81 -0.70 119.26 116.63 1wha h ALA 51 Ca 0.00 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1wha h ALA 51 Cb 0.25 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1wha h ALA 51 CO 0.00 -0.17 -0.16 1.25 0.00 0.00 0.00 179.25 180.16 1wha h HIS 52 N 0.48 -0.42 -1.20 0.00 6.17 -1.75 -3.10 115.15 115.34 1wha h HIS 52 Ca 0.41 -0.01 0.40 0.00 0.71 0.00 0.00 60.37 61.88 1wha h HIS 52 Cb 0.59 0.14 -0.14 0.00 2.52 0.00 0.00 27.41 30.52 1wha h HIS 52 CO -0.15 -0.26 0.74 -0.09 0.71 0.00 0.00 177.93 178.88 1wha h ARG 53 N -0.55 0.13 -0.88 5.26 2.43 -1.49 -0.48 114.38 118.79 1wha h ARG 53 Ca -0.05 -0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.24 1wha h ARG 53 Cb 0.35 -0.03 -0.14 0.00 -0.42 0.00 0.00 29.97 29.73 1wha h ARG 53 CO 0.08 0.08 -0.37 0.00 -1.51 0.00 0.00 179.97 178.25 1wha n ALA 54 N -2.44 -0.18 0.00 2.80 0.00 -0.28 -4.82 120.51 115.59 1wha n ALA 54 Ca 0.36 0.86 0.00 0.00 0.00 0.00 0.00 53.44 54.66 1wha n ALA 54 Cb 1.30 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 20.40 1wha n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wha n GLY 55 N -1.39 3.08 2.25 0.00 0.00 -0.19 -4.88 105.19 104.07 1wha n GLY 55 Ca 0.08 -0.89 -0.27 0.00 0.00 0.00 0.00 46.02 44.94 1wha n GLY 55 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wha n THR 56 N 0.00 3.23 -3.73 2.61 5.66 -1.26 -4.86 114.28 115.93 1wha n THR 56 Ca 0.00 -2.59 -0.12 0.00 -3.05 0.00 0.00 64.05 58.29 1wha n THR 56 Cb 0.00 -1.32 -0.12 0.00 -1.55 0.00 0.00 70.33 67.34 1wha n THR 56 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1wha s LEU 57 N -2.75 0.45 -0.22 1.09 1.43 -1.26 -4.94 118.68 112.48 1wha s LEU 57 Ca 0.49 0.61 -0.14 0.00 -1.03 0.00 0.00 54.13 54.06 1wha s LEU 57 Cb 0.37 0.92 0.07 0.00 0.03 0.00 0.00 46.19 47.58 1wha s LEU 57 CO -0.09 -0.15 0.54 0.00 0.23 0.00 0.00 176.35 176.88 1wha s GLN 58 N 0.98 0.56 -0.38 1.70 -2.07 -1.26 -4.89 119.66 114.30 1wha s GLN 58 Ca -0.07 0.95 -0.38 0.00 -1.82 0.00 0.00 55.36 54.04 1wha s GLN 58 Cb -0.08 0.10 -0.14 0.00 -1.09 0.00 0.00 33.01 31.80 1wha s GLN 58 CO -0.07 -0.14 2.11 0.28 -1.32 0.00 0.00 175.29 176.15 1wha n VAL 59 N 4.01 0.15 0.00 3.63 0.31 -1.26 -2.40 118.33 122.78 1wha n VAL 59 Ca -0.20 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1wha n VAL 59 Cb 0.57 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.23 1wha n VAL 59 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wha n GLY 60 N 6.46 2.78 3.68 2.92 0.00 -0.95 -4.97 105.19 115.12 1wha n GLY 60 Ca 0.43 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 1wha n GLY 60 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wha n ASP 61 N 0.00 1.55 -4.71 1.61 8.00 -1.01 -4.57 116.55 117.42 1wha n ASP 61 Ca 0.00 0.81 -0.35 0.00 0.71 0.00 0.00 54.79 55.96 1wha n ASP 61 Cb 0.00 -1.49 -0.09 0.00 -0.02 0.00 0.00 41.12 39.52 1wha n ASP 61 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1wha s ARG 62 N -3.17 3.49 -0.44 -1.24 3.52 -1.23 -1.45 118.95 118.43 1wha s ARG 62 Ca 0.80 -0.32 -0.23 0.00 -0.13 0.00 0.00 55.73 55.86 1wha s ARG 62 Cb -0.39 -3.05 0.02 0.00 -1.56 0.00 0.00 34.95 29.97 1wha s ARG 62 CO 0.43 0.55 0.79 0.08 -0.81 0.00 0.00 175.30 176.33 1wha s VAL 63 N -0.41 4.66 -0.06 7.11 1.01 0.57 -1.44 120.40 131.83 1wha s VAL 63 Ca 0.09 0.49 -0.19 0.00 0.00 0.00 0.00 61.98 62.37 1wha s VAL 63 Cb -0.12 -4.31 -0.15 0.00 0.00 0.00 0.00 36.38 31.81 1wha s VAL 63 CO 0.02 -0.68 0.76 -0.07 0.00 0.00 0.00 175.10 175.13 1wha h LEU 64 N 10.09 -0.17 -8.82 3.92 3.38 -1.67 -3.38 115.31 118.65 1wha h LEU 64 Ca -0.25 -0.36 -0.34 0.00 0.09 0.00 0.00 57.88 57.03 1wha h LEU 64 Cb 1.09 0.04 -0.14 0.00 0.09 0.00 0.00 40.66 41.73 1wha h LEU 64 CO 0.95 0.42 -0.63 -0.55 0.09 0.00 0.00 178.44 178.72 1wha s SER 65 N -5.52 1.30 -0.15 -0.43 0.15 -1.26 -0.48 113.70 107.31 1wha s SER 65 Ca -0.12 -1.30 -0.08 0.00 0.70 0.00 0.00 55.95 55.16 1wha s SER 65 Cb 0.00 0.13 0.05 0.00 -1.71 0.00 0.00 66.02 64.49 1wha s SER 65 CO 0.43 -0.65 0.35 -0.63 1.20 0.00 0.00 173.24 173.95 1wha s ILE 66 N -3.68 -0.04 -1.61 6.45 1.01 0.24 -2.96 121.20 120.61 1wha s ILE 66 Ca 0.32 0.11 -0.13 0.00 0.00 0.00 0.00 60.65 60.95 1wha s ILE 66 Cb 0.07 -0.53 0.11 0.00 0.01 0.00 0.00 42.46 42.12 1wha s ILE 66 CO 0.10 0.05 0.71 -3.20 0.00 0.00 0.00 174.94 172.59 1wha n ASN 67 N 4.26 -2.67 -2.26 3.58 2.85 0.30 -0.65 115.26 120.68 1wha n ASN 67 Ca -0.24 -0.99 -0.13 0.00 -0.11 0.00 0.00 54.58 53.11 1wha n ASN 67 Cb 0.54 -2.93 0.05 0.00 1.24 0.00 0.00 39.78 38.68 1wha n ASN 67 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wha n GLY 68 N -1.59 0.10 2.78 8.20 0.00 -1.26 -5.00 105.19 108.42 1wha n GLY 68 Ca -0.03 -0.15 -0.18 0.00 0.00 0.00 0.00 46.02 45.66 1wha n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wha s VAL 69 N -3.18 -0.29 -0.22 1.61 1.01 0.17 -5.11 120.40 114.40 1wha s VAL 69 Ca 0.30 0.06 -0.28 0.00 0.00 0.00 0.00 61.98 62.07 1wha s VAL 69 Cb -0.13 -0.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.68 1wha s VAL 69 CO 0.41 -0.07 2.14 -0.62 0.00 0.00 0.00 175.10 176.96 1wha s ASP 70 N 2.30 5.57 -0.26 3.32 -1.08 -1.26 -0.60 116.67 124.66 1wha s ASP 70 Ca 0.05 1.84 0.10 0.00 -0.52 0.00 0.00 52.55 54.02 1wha s ASP 70 Cb -0.14 -2.51 0.46 0.00 -1.46 0.00 0.00 42.92 39.26 1wha s ASP 70 CO -0.09 -1.88 1.18 1.33 0.52 0.00 0.00 175.17 176.23 1wha n VAL 71 N 7.59 2.25 -0.28 1.11 0.24 0.36 -4.78 118.33 124.83 1wha n VAL 71 Ca 0.28 -3.81 -0.02 0.00 -2.04 0.00 0.00 64.34 58.76 1wha n VAL 71 Cb 0.45 -0.63 0.15 0.00 -1.47 0.00 0.00 33.84 32.34 1wha n VAL 71 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1wha h THR 72 N 2.54 1.24 0.00 3.34 1.35 -1.38 -3.19 112.91 116.80 1wha h THR 72 Ca 0.23 -0.54 -0.07 0.00 -0.55 0.00 0.00 66.41 65.48 1wha h THR 72 Cb 1.43 0.08 -0.14 0.00 -1.73 0.00 0.00 68.15 67.78 1wha h THR 72 CO 0.54 0.25 -0.62 -0.62 -0.25 0.00 0.00 175.52 174.83 1wha n GLU 73 N -4.36 0.68 -2.09 4.72 1.02 -1.26 -4.20 120.64 115.15 1wha n GLU 73 Ca 0.09 -2.31 -0.32 0.00 -0.02 0.00 0.00 57.16 54.60 1wha n GLU 73 Cb 0.08 -0.82 -0.00 0.00 -0.02 0.00 0.00 31.44 30.68 1wha n GLU 73 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wha s ALA 74 N -1.44 2.90 1.12 0.62 0.00 -1.21 -4.95 121.76 118.80 1wha s ALA 74 Ca 0.29 0.21 -0.13 0.00 0.00 0.00 0.00 51.96 52.33 1wha s ALA 74 Cb 0.30 -3.16 0.26 0.00 0.00 0.00 0.00 23.12 20.51 1wha s ALA 74 CO -0.08 -0.63 1.05 1.03 0.00 0.00 0.00 175.76 177.13 1wha s ARG 75 N -4.34 -0.55 -0.02 0.00 0.52 -1.26 -4.34 118.95 108.96 1wha s ARG 75 Ca 0.60 0.78 -0.23 0.00 -0.52 0.00 0.00 55.73 56.35 1wha s ARG 75 Cb -0.13 -1.60 -0.16 0.00 0.52 0.00 0.00 34.95 33.58 1wha s ARG 75 CO 0.39 -3.46 1.07 1.25 0.02 0.00 0.00 175.30 174.57 1wha h HIS 76 N -2.43 -0.26 -0.45 -0.53 -0.00 -1.87 -2.40 115.15 107.22 1wha h HIS 76 Ca -0.59 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 59.77 1wha h HIS 76 Cb 1.33 0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 28.80 1wha h HIS 76 CO 0.28 0.13 0.26 -0.44 -0.00 0.00 0.00 177.93 178.15 1wha h ASP 77 N -0.78 0.53 0.12 3.26 5.19 -1.93 -1.75 116.42 121.06 1wha h ASP 77 Ca -0.03 -0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.35 1wha h ASP 77 Cb 0.51 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.89 1wha h ASP 77 CO 0.05 0.42 -0.06 -0.74 -3.12 0.00 0.00 179.24 175.79 1wha h HIS 78 N 0.62 -0.15 -0.64 4.55 2.76 -1.93 -2.40 115.15 117.96 1wha h HIS 78 Ca 0.16 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 1wha h HIS 78 Cb -0.00 0.05 -0.03 0.00 1.55 0.00 0.00 27.41 28.98 1wha h HIS 78 CO 0.00 0.05 0.42 0.00 -1.30 0.00 0.00 177.93 177.10 1wha h ALA 79 N 0.54 0.82 -0.91 5.26 0.00 -1.13 -2.34 119.26 121.49 1wha h ALA 79 Ca -0.02 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.94 1wha h ALA 79 Cb 0.26 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 1wha h ALA 79 CO 0.03 0.25 0.58 0.28 0.00 0.00 0.00 179.25 180.40 1wha h VAL 80 N 0.87 0.96 -1.60 0.00 2.07 -1.23 -1.34 116.25 115.98 1wha h VAL 80 Ca 0.23 -0.31 0.46 0.00 0.82 0.00 0.00 66.70 67.91 1wha h VAL 80 Cb -0.09 -0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 29.60 1wha h VAL 80 CO -0.05 0.16 1.22 -1.28 0.02 0.00 0.00 177.57 177.64 1wha h SER 81 N 0.89 0.00 0.34 0.57 0.87 -0.89 1.42 113.55 116.76 1wha h SER 81 Ca 0.42 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.67 1wha h SER 81 Cb 0.43 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.34 1wha h SER 81 CO -0.19 0.00 -1.89 0.18 -0.53 0.00 0.00 176.83 174.40 1wha n LEU 82 N -3.90 0.98 0.10 2.23 4.77 -0.51 -3.52 117.00 117.14 1wha n LEU 82 Ca 0.36 0.30 -0.12 0.00 -0.03 0.00 0.00 56.01 56.52 1wha n LEU 82 Cb 1.71 0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 42.77 1wha n LEU 82 CO 0.40 0.48 0.45 -0.07 -1.33 0.00 0.00 177.39 177.32 1wha h LEU 83 N 0.01 -0.26 -2.22 2.23 3.38 0.18 -3.12 115.31 115.51 1wha h LEU 83 Ca -0.36 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1wha h LEU 83 Cb 2.06 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.88 1wha h LEU 83 CO 0.07 0.21 0.00 0.71 0.09 0.00 0.00 178.44 179.52 1wha h THR 84 N -0.83 0.00 -2.13 0.22 1.35 -0.78 -3.45 112.91 107.29 1wha h THR 84 Ca -0.03 -0.19 -0.56 0.00 -0.55 0.00 0.00 66.41 65.07 1wha h THR 84 Cb 0.51 1.14 0.22 0.00 -1.73 0.00 0.00 68.15 68.30 1wha h THR 84 CO 0.05 0.00 -1.57 0.00 -0.25 0.00 0.00 175.52 173.75 1wha n ALA 85 N -2.04 -4.62 -3.14 6.62 0.00 -1.18 -4.85 120.51 111.29 1wha n ALA 85 Ca -0.01 -0.52 -0.43 0.00 0.00 0.00 0.00 53.44 52.48 1wha n ALA 85 Cb 0.16 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1wha n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wha n ALA 86 N -2.32 4.81 -2.68 0.00 0.00 -1.26 -4.99 120.51 114.07 1wha n ALA 86 Ca 0.01 -4.76 -0.19 0.00 0.00 0.00 0.00 53.44 48.51 1wha n ALA 86 Cb 0.54 -2.36 -0.14 0.00 0.00 0.00 0.00 19.45 17.49 1wha n ALA 86 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1wha s SER 87 N -0.68 1.28 0.32 0.00 0.01 -1.26 -5.04 113.70 108.32 1wha s SER 87 Ca 0.31 -0.31 0.11 0.00 1.31 0.00 0.00 55.95 57.37 1wha s SER 87 Cb -0.00 -0.10 0.53 0.00 0.21 0.00 0.00 66.02 66.66 1wha s SER 87 CO 0.04 0.06 1.72 1.55 0.41 0.00 0.00 173.24 177.01 1wha h PRO 88 N 5.43 0.02 -6.31 12.44 0.13 -1.94 -3.37 132.00 138.40 1wha h PRO 88 Ca -0.34 -0.01 -0.63 0.00 -0.87 0.00 0.00 66.00 64.15 1wha h PRO 88 Cb 1.18 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.04 1wha h PRO 88 CO 0.47 0.50 -0.86 0.95 -0.23 0.00 0.00 178.00 178.83 1wha s THR 89 N -3.93 1.83 -0.05 1.56 -4.23 -1.26 -2.24 115.64 107.33 1wha s THR 89 Ca -0.02 -1.18 -0.00 0.00 -1.18 0.00 0.00 61.69 59.30 1wha s THR 89 Cb 0.14 -1.56 0.03 0.00 1.34 0.00 0.00 72.50 72.44 1wha s THR 89 CO 0.75 0.34 -0.00 -0.63 -0.54 0.00 0.00 174.62 174.53 1wha s ILE 90 N -0.72 0.30 -0.14 2.99 1.01 -0.99 -4.90 121.20 118.75 1wha s ILE 90 Ca 0.09 0.09 -0.21 0.00 0.00 0.00 0.00 60.65 60.62 1wha s ILE 90 Cb -0.09 -0.42 -0.03 0.00 0.01 0.00 0.00 42.46 41.92 1wha s ILE 90 CO 0.01 0.21 0.60 0.00 0.00 0.00 0.00 174.94 175.76 1wha s ALA 91 N 1.48 3.47 0.03 9.38 0.00 -1.26 -3.22 121.76 131.63 1wha s ALA 91 Ca -0.03 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 51.80 1wha s ALA 91 Cb -0.13 -2.86 -0.02 0.00 0.00 0.00 0.00 23.12 20.11 1wha s ALA 91 CO -0.03 -0.26 -0.06 -0.51 0.00 0.00 0.00 175.76 174.91 1wha s LEU 92 N 1.20 2.19 -0.19 0.00 1.43 -0.29 -0.53 118.68 122.50 1wha s LEU 92 Ca 0.30 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1wha s LEU 92 Cb -0.16 -0.10 0.01 0.00 0.03 0.00 0.00 46.19 45.98 1wha s LEU 92 CO 0.12 -0.17 -0.17 -0.22 0.23 0.00 0.00 176.35 176.14 1wha s LEU 93 N -1.21 2.27 -0.29 1.79 0.20 -1.16 0.31 118.68 120.60 1wha s LEU 93 Ca -0.09 -0.60 -0.10 0.00 0.69 0.00 0.00 54.13 54.03 1wha s LEU 93 Cb -0.08 -1.52 -0.03 0.00 -0.43 0.00 0.00 46.19 44.12 1wha s LEU 93 CO -0.00 0.00 0.17 -0.76 -0.29 0.00 0.00 176.35 175.47 1wha s LEU 94 N 1.30 4.01 -0.23 -0.68 1.43 0.32 -1.86 118.68 122.97 1wha s LEU 94 Ca 0.05 -0.24 -0.13 0.00 -1.03 0.00 0.00 54.13 52.78 1wha s LEU 94 Cb -0.13 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.98 1wha s LEU 94 CO -0.11 -0.11 0.25 -0.70 0.23 0.00 0.00 176.35 175.91 1wha s GLU 95 N 1.69 4.11 -0.35 1.70 2.12 -0.52 -0.10 118.70 127.36 1wha s GLU 95 Ca 0.06 -0.09 -0.10 0.00 0.36 0.00 0.00 54.97 55.20 1wha s GLU 95 Cb -0.16 -3.54 0.02 0.00 0.26 0.00 0.00 34.13 30.71 1wha s GLU 95 CO 0.08 0.02 0.17 0.50 -0.54 0.00 0.00 175.26 175.49 1wha s ARG 96 N 1.17 2.95 0.03 4.30 3.52 -1.23 -3.47 118.95 126.22 1wha s ARG 96 Ca 0.12 -0.99 -0.30 0.00 -0.13 0.00 0.00 55.73 54.43 1wha s ARG 96 Cb -0.14 -3.63 -0.05 0.00 -1.56 0.00 0.00 34.95 29.57 1wha s ARG 96 CO 0.06 -0.61 1.18 -1.21 -0.81 0.00 0.00 175.30 173.91 1wha s GLU 97 N 1.55 4.43 -0.42 5.12 2.02 -1.26 -1.92 118.70 128.22 1wha s GLU 97 Ca 0.02 1.72 0.02 0.00 0.02 0.00 0.00 54.97 56.75 1wha s GLU 97 Cb -0.19 -3.40 0.12 0.00 0.10 0.00 0.00 34.13 30.77 1wha s GLU 97 CO 0.06 -0.27 0.19 0.00 0.02 0.00 0.00 175.26 175.25 1wha s ALA 98 N 1.28 2.44 0.00 5.21 0.00 -1.26 -4.92 121.76 124.52 1wha s ALA 98 Ca 0.58 -2.58 0.00 0.00 0.00 0.00 0.00 51.96 49.95 1wha s ALA 98 Cb -0.28 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 20.92 1wha s ALA 98 CO 0.28 -1.92 0.00 0.41 0.00 0.00 0.00 175.76 174.53 1wha n GLY 99 N 3.80 -0.64 0.10 0.00 0.00 -1.26 -4.58 105.19 102.60 1wha n GLY 99 Ca 0.05 0.16 -0.15 0.00 0.00 0.00 0.00 46.02 46.08 1wha n GLY 99 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wha n SER 100 N -1.18 1.93 0.00 1.61 7.64 -1.26 -5.14 113.62 117.22 1wha n SER 100 Ca 0.00 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.25 1wha n SER 100 Cb 0.00 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 1wha n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wha n GLY 101 N 1.41 0.95 0.07 0.23 0.00 -1.26 -4.83 105.19 101.77 1wha n GLY 101 Ca -0.26 -1.86 0.10 0.00 0.00 0.00 0.00 46.02 43.99 1wha n GLY 101 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wha n PRO 102 N 0.00 0.11 -3.33 1.61 -0.04 -1.26 -4.57 135.00 127.52 1wha n PRO 102 Ca 0.00 0.35 -0.42 0.00 -0.04 0.00 0.00 63.50 63.39 1wha n PRO 102 Cb 0.00 -1.71 -0.09 0.00 -0.04 0.00 0.00 33.50 31.67 1wha n PRO 102 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wha s SER 103 N -3.69 6.22 -0.56 3.54 0.15 -1.26 -5.03 113.70 113.08 1wha s SER 103 Ca 0.05 -0.31 -0.04 0.00 0.70 0.00 0.00 55.95 56.35 1wha s SER 103 Cb 0.09 -2.22 0.15 0.00 -1.71 0.00 0.00 66.02 62.32 1wha s SER 103 CO 0.33 -0.45 0.39 -0.55 1.20 0.00 0.00 173.24 174.15 1wha s SER 104 N 1.77 5.41 0.00 5.45 0.15 -1.26 -4.95 113.70 120.27 1wha s SER 104 Ca 0.14 -2.49 0.27 0.00 0.70 0.00 0.00 55.95 54.56 1wha s SER 104 Cb -0.16 -1.89 0.85 0.00 -1.71 0.00 0.00 66.02 63.10 1wha s SER 104 CO 0.13 -0.47 1.63 0.61 1.20 0.00 0.00 173.24 176.33