#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 6.63 -0.30 1.61 0.01 -1.26 -5.08 113.70 115.31 1wha s SER 2 Ca 0.00 0.92 -0.06 0.00 1.31 0.00 0.00 55.95 58.12 1wha s SER 2 Cb 0.00 -2.22 0.17 0.00 0.21 0.00 0.00 66.02 64.18 1wha s SER 2 CO 0.00 -0.06 0.71 -0.94 0.41 0.00 0.00 173.24 173.37 1wha s SER 3 N -2.32 -1.12 -0.33 2.44 1.04 -1.26 -5.13 113.70 107.02 1wha s SER 3 Ca 0.46 0.94 -0.01 0.00 0.48 0.00 0.00 55.95 57.83 1wha s SER 3 Cb -0.11 2.04 0.07 0.00 0.10 0.00 0.00 66.02 68.12 1wha s SER 3 CO 0.21 -0.21 0.05 -0.83 0.98 0.00 0.00 173.24 173.44 1wha s GLY 4 N 2.85 1.83 -0.23 7.32 0.00 -1.26 -5.06 107.32 112.76 1wha s GLY 4 Ca 0.09 -2.07 -0.01 0.00 0.00 0.00 0.00 44.72 42.73 1wha s GLY 4 CO -0.19 0.81 0.02 -1.35 0.00 0.00 0.00 173.10 172.39 1wha s SER 5 N 1.33 3.47 1.08 1.64 1.04 -1.26 -4.99 113.70 116.01 1wha s SER 5 Ca 0.00 -1.13 -0.15 0.00 0.48 0.00 0.00 55.95 55.15 1wha s SER 5 Cb -0.20 -0.84 0.23 0.00 0.10 0.00 0.00 66.02 65.30 1wha s SER 5 CO -0.03 -0.31 1.10 -0.94 0.98 0.00 0.00 173.24 174.03 1wha s SER 6 N 1.65 1.93 -0.22 7.02 1.04 -1.26 -4.70 113.70 119.16 1wha s SER 6 Ca 0.00 0.97 -0.10 0.00 0.48 0.00 0.00 55.95 57.30 1wha s SER 6 Cb -0.18 -1.48 0.08 0.00 0.10 0.00 0.00 66.02 64.55 1wha s SER 6 CO -0.11 -3.54 0.51 -0.83 0.98 0.00 0.00 173.24 170.25 1wha s GLY 7 N -3.61 -0.46 -0.00 7.32 0.00 -0.61 -4.99 107.32 104.97 1wha s GLY 7 Ca 0.67 1.84 -0.20 0.00 0.00 0.00 0.00 44.72 47.03 1wha s GLY 7 CO 0.57 2.26 0.59 0.50 0.00 0.00 0.00 173.10 177.02 1wha s ARG 8 N 2.03 4.31 0.48 2.90 0.52 -1.26 -1.66 118.95 126.26 1wha s ARG 8 Ca -0.07 0.73 0.02 0.00 -0.52 0.00 0.00 55.73 55.89 1wha s ARG 8 Cb -0.09 -3.34 -0.01 0.00 0.52 0.00 0.00 34.95 32.03 1wha s ARG 8 CO -0.15 0.38 0.06 -1.01 0.02 0.00 0.00 175.30 174.59 1wha s HIS 9 N -0.23 1.81 -0.08 -0.53 3.76 -0.32 -4.98 115.29 114.72 1wha s HIS 9 Ca 0.31 -1.11 0.05 0.00 -0.15 0.00 0.00 55.06 54.15 1wha s HIS 9 Cb -0.18 -1.42 -0.00 0.00 1.11 0.00 0.00 32.58 32.08 1wha s HIS 9 CO 0.17 -0.00 -0.24 0.54 -0.85 0.00 0.00 174.74 174.35 1wha s VAL 10 N -3.01 2.06 -0.20 -0.90 0.11 -1.26 -2.54 120.40 114.66 1wha s VAL 10 Ca 0.11 -1.04 -0.01 0.00 -2.93 0.00 0.00 61.98 58.11 1wha s VAL 10 Cb 0.01 -1.77 0.01 0.00 -1.53 0.00 0.00 36.38 33.11 1wha s VAL 10 CO 0.07 0.56 -0.12 0.00 -3.33 0.00 0.00 175.10 172.28 1wha s ALA 11 N 0.13 2.57 -0.13 1.54 0.00 -1.04 -4.97 121.76 119.86 1wha s ALA 11 Ca -0.12 -1.20 0.02 0.00 0.00 0.00 0.00 51.96 50.66 1wha s ALA 11 Cb -0.16 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.52 1wha s ALA 11 CO 0.07 -0.39 -0.20 0.00 0.00 0.00 0.00 175.76 175.23 1wha s LEU 13 N 0.64 2.11 -0.52 0.00 1.43 -1.25 -4.99 118.68 116.11 1wha s LEU 13 Ca -0.10 -1.12 -0.18 0.00 -1.03 0.00 0.00 54.13 51.69 1wha s LEU 13 Cb -0.16 0.19 0.07 0.00 0.03 0.00 0.00 46.19 46.31 1wha s LEU 13 CO 0.02 -0.64 0.61 0.00 0.23 0.00 0.00 176.35 176.56 1wha s ALA 14 N -3.92 3.42 0.44 4.21 0.00 -1.26 -3.32 121.76 121.34 1wha s ALA 14 Ca 0.18 -1.90 -0.24 0.00 0.00 0.00 0.00 51.96 49.99 1wha s ALA 14 Cb 0.07 -3.34 -0.08 0.00 0.00 0.00 0.00 23.12 19.77 1wha s ALA 14 CO -0.02 -2.03 1.20 0.50 0.00 0.00 0.00 175.76 175.41 1wha s ARG 15 N 2.48 3.81 0.02 0.00 3.52 -1.22 -4.85 118.95 122.70 1wha s ARG 15 Ca 0.13 1.89 0.01 0.00 -0.13 0.00 0.00 55.73 57.62 1wha s ARG 15 Cb -0.21 -2.51 -0.02 0.00 -1.56 0.00 0.00 34.95 30.65 1wha s ARG 15 CO 0.10 -0.54 -0.04 0.45 -0.81 0.00 0.00 175.30 174.46 1wha s SER 16 N -1.18 0.38 0.60 -2.12 0.15 -1.26 -4.75 113.70 105.52 1wha s SER 16 Ca 0.62 -0.37 0.29 0.00 0.70 0.00 0.00 55.95 57.19 1wha s SER 16 Cb -0.31 0.05 1.56 0.00 -1.71 0.00 0.00 66.02 65.61 1wha s SER 16 CO 0.39 -0.18 1.97 1.05 1.20 0.00 0.00 173.24 177.67 1wha h GLU 17 N 5.06 0.00 0.00 5.44 -0.00 -2.00 0.43 114.58 123.51 1wha h GLU 17 Ca -0.31 0.00 -0.08 0.00 -0.00 0.00 0.00 59.36 58.98 1wha h GLU 17 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.95 1wha h GLU 17 CO 0.44 0.00 -0.36 0.00 -0.00 0.00 0.00 179.01 179.09 1wha h ARG 18 N 0.00 0.00 0.00 1.06 3.08 -2.01 -3.47 114.38 113.03 1wha h ARG 18 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1wha h ARG 18 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.93 1wha h ARG 18 CO -0.00 0.36 0.00 0.41 -1.07 0.00 0.00 179.97 179.67 1wha n GLY 19 N 0.24 2.86 0.01 0.04 0.00 0.15 -5.01 105.19 103.48 1wha n GLY 19 Ca -0.00 -0.70 -0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.02 0.00 0.99 4.77 -1.24 -4.72 117.00 116.78 1wha n LEU 20 Ca 0.00 0.74 0.00 0.00 -0.03 0.00 0.00 56.01 56.72 1wha n LEU 20 Cb 0.00 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 1wha n LEU 20 CO 0.00 -0.38 0.00 0.61 -1.33 0.00 0.00 177.39 176.29 1wha n GLY 21 N -1.00 1.83 3.93 -0.72 0.00 -1.26 -4.76 105.19 103.20 1wha n GLY 21 Ca 0.00 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 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 3.48 0.47 1.61 -0.71 -1.26 -2.57 117.98 119.00 1wha s PHE 22 Ca 0.00 0.39 0.04 0.00 -1.04 0.00 0.00 56.93 56.33 1wha s PHE 22 Cb 0.00 -1.90 -0.03 0.00 -1.21 0.00 0.00 43.02 39.88 1wha s PHE 22 CO 0.00 0.30 0.08 -1.12 -1.34 0.00 0.00 175.22 173.15 1wha s SER 23 N -3.31 4.17 0.13 1.98 0.01 0.26 -4.96 113.70 111.98 1wha s SER 23 Ca 0.40 -1.42 0.07 0.00 1.31 0.00 0.00 55.95 56.30 1wha s SER 23 Cb -0.11 0.07 -0.04 0.00 0.21 0.00 0.00 66.02 66.15 1wha s SER 23 CO 0.30 -0.71 -0.17 0.27 0.41 0.00 0.00 173.24 173.34 1wha s ILE 24 N -2.77 1.52 0.01 1.44 -4.36 -1.26 -2.81 121.20 112.97 1wha s ILE 24 Ca 0.24 -1.71 -0.16 0.00 -0.26 0.00 0.00 60.65 58.76 1wha s ILE 24 Cb 0.04 -1.59 0.03 0.00 1.25 0.00 0.00 42.46 42.19 1wha s ILE 24 CO 0.13 -0.31 0.35 0.00 0.24 0.00 0.00 174.94 175.35 1wha s ALA 25 N -1.86 -0.85 0.00 2.27 0.00 -0.12 -4.72 121.76 116.49 1wha s ALA 25 Ca 0.09 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.35 1wha s ALA 25 Cb -0.06 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.23 1wha s ALA 25 CO 0.04 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.87 1wha n GLY 26 N 0.94 2.17 2.34 0.00 0.00 -0.40 -0.21 105.19 110.04 1wha n GLY 26 Ca -0.20 -0.66 -0.28 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.48 0.37 -0.02 0.00 -0.91 -4.43 105.19 97.72 1wha n GLY 27 Ca 0.00 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 45.95 1wha n GLY 27 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wha h LYS 28 N -0.09 0.69 -0.94 1.61 1.57 -1.84 0.12 116.57 117.69 1wha h LYS 28 Ca -0.30 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.28 1wha h LYS 28 Cb 1.04 -0.16 -0.09 0.00 0.08 0.00 0.00 32.23 33.10 1wha h LYS 28 CO 0.29 0.46 0.20 0.41 -0.57 0.00 0.00 179.45 180.23 1wha n GLY 29 N -1.42 2.80 2.06 3.86 0.00 -1.26 -4.85 105.19 106.38 1wha n GLY 29 Ca 0.18 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.07 -0.80 -4.75 1.61 2.88 0.43 -4.88 113.62 108.05 1wha n SER 30 Ca 0.22 -2.18 -0.40 0.00 -1.33 0.00 0.00 58.87 55.17 1wha n SER 30 Cb 0.91 1.51 -0.05 0.00 -0.75 0.00 0.00 64.21 65.83 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 -2.68 3.77 -0.94 2.46 2.01 -1.26 -4.71 115.64 114.29 1wha s THR 31 Ca 0.19 1.73 -0.24 0.00 0.31 0.00 0.00 61.69 63.67 1wha s THR 31 Cb -0.00 -4.10 -0.05 0.00 0.01 0.00 0.00 72.50 68.35 1wha s THR 31 CO 0.13 0.39 1.94 -2.16 -0.69 0.00 0.00 174.62 174.24 1wha s PRO 32 N -1.15 2.55 0.47 4.92 0.04 -1.26 -1.27 135.00 139.30 1wha s PRO 32 Ca 0.44 -0.41 0.42 0.00 0.04 0.00 0.00 61.00 61.49 1wha s PRO 32 Cb -0.29 -5.09 1.49 0.00 0.04 0.00 0.00 34.50 30.65 1wha s PRO 32 CO 0.37 -3.45 1.37 0.98 0.04 0.00 0.00 177.00 176.30 1wha n TYR 33 N 14.01 0.11 -3.71 0.56 9.36 -1.26 -3.65 117.16 132.58 1wha n TYR 33 Ca 0.41 0.11 -0.23 0.00 3.32 0.00 0.00 57.90 61.50 1wha n TYR 33 Cb 0.47 -0.54 -0.17 0.00 -0.63 0.00 0.00 39.34 38.46 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 -4.69 0.31 -0.37 2.98 0.52 -1.26 -5.05 118.95 111.39 1wha s ARG 34 Ca -0.05 0.08 -0.38 0.00 -0.52 0.00 0.00 55.73 54.86 1wha s ARG 34 Cb 0.24 -1.16 -0.14 0.00 0.52 0.00 0.00 34.95 34.42 1wha s ARG 34 CO 0.77 -0.43 2.07 0.00 0.02 0.00 0.00 175.30 177.74 1wha n ALA 35 N 5.20 0.59 -0.01 2.13 0.00 -1.24 0.71 120.51 127.89 1wha n ALA 35 Ca -0.06 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1wha n ALA 35 Cb 0.49 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.58 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 6.20 0.76 3.27 0.00 0.00 -1.26 -5.07 105.19 109.10 1wha n GLY 36 Ca 0.41 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.47 3.83 -0.47 1.61 1.11 0.22 -5.00 116.67 115.50 1wha s ASP 37 Ca 0.00 -0.45 0.03 0.00 0.18 0.00 0.00 52.55 52.31 1wha s ASP 37 Cb 0.00 -1.61 0.48 0.00 1.07 0.00 0.00 42.92 42.86 1wha s ASP 37 CO 0.00 0.05 1.67 0.00 1.18 0.00 0.00 175.17 178.07 1wha n ALA 38 N 4.29 5.51 -2.53 5.23 0.00 -1.26 -4.62 120.51 127.13 1wha n ALA 38 Ca -0.19 -3.46 0.00 0.00 0.00 0.00 0.00 53.44 49.79 1wha n ALA 38 Cb 0.51 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.92 3.64 3.07 0.00 0.00 -1.26 -4.56 105.19 105.16 1wha n GLY 39 Ca 0.52 -1.70 -0.12 0.00 0.00 0.00 0.00 46.02 44.72 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 4.20 -0.25 0.10 -0.61 1.01 -1.26 -2.13 121.20 122.27 1wha s ILE 40 Ca 0.00 0.20 0.04 0.00 0.00 0.00 0.00 60.65 60.89 1wha s ILE 40 Cb 0.00 -0.45 -0.04 0.00 0.01 0.00 0.00 42.46 41.98 1wha s ILE 40 CO 0.00 0.08 -0.11 -0.36 0.00 0.00 0.00 174.94 174.55 1wha s PHE 41 N 1.88 1.15 0.05 3.97 0.40 0.71 -0.27 117.98 125.87 1wha s PHE 41 Ca -0.04 -0.63 -0.30 0.00 -0.60 0.00 0.00 56.93 55.35 1wha s PHE 41 Cb -0.11 -0.62 -0.08 0.00 0.51 0.00 0.00 43.02 42.72 1wha s PHE 41 CO -0.09 0.04 1.71 0.08 0.70 0.00 0.00 175.22 177.65 1wha s VAL 42 N -2.40 3.09 -0.17 -0.44 1.01 -0.96 -0.94 120.40 119.59 1wha s VAL 42 Ca 0.07 0.43 0.15 0.00 0.00 0.00 0.00 61.98 62.62 1wha s VAL 42 Cb -0.03 -3.28 -0.24 0.00 0.00 0.00 0.00 36.38 32.83 1wha s VAL 42 CO 0.01 -0.01 0.20 -1.54 0.00 0.00 0.00 175.10 173.75 1wha n SER 43 N 6.13 0.44 -3.77 3.32 3.41 -1.12 -2.11 113.62 119.91 1wha n SER 43 Ca 0.17 0.09 -0.12 0.00 -0.26 0.00 0.00 58.87 58.75 1wha n SER 43 Cb 0.41 0.57 -0.08 0.00 -0.26 0.00 0.00 64.21 64.85 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 -2.52 0.71 -0.01 4.33 6.06 -1.26 -4.96 118.95 121.30 1wha s ARG 44 Ca -0.11 -0.36 0.02 0.00 -2.50 0.00 0.00 55.73 52.78 1wha s ARG 44 Cb 0.07 0.31 -0.00 0.00 0.06 0.00 0.00 34.95 35.38 1wha s ARG 44 CO 0.81 -0.21 -0.06 0.42 -2.50 0.00 0.00 175.30 173.76 1wha s ILE 45 N -1.88 0.51 -0.57 4.11 1.01 -1.26 -0.57 121.20 122.55 1wha s ILE 45 Ca -0.10 -0.26 -0.27 0.00 0.00 0.00 0.00 60.65 60.01 1wha s ILE 45 Cb -0.03 -0.44 0.00 0.00 0.01 0.00 0.00 42.46 42.00 1wha s ILE 45 CO 0.01 0.15 1.53 0.00 0.00 0.00 0.00 174.94 176.63 1wha s ALA 46 N -0.07 2.66 0.76 9.38 0.00 -1.06 -4.87 121.76 128.56 1wha s ALA 46 Ca 0.01 -0.66 -0.14 0.00 0.00 0.00 0.00 51.96 51.17 1wha s ALA 46 Cb -0.03 -4.16 0.06 0.00 0.00 0.00 0.00 23.12 18.99 1wha s ALA 46 CO -0.00 -3.16 1.19 -2.00 0.00 0.00 0.00 175.76 171.79 1wha s GLU 47 N 5.89 1.97 -0.30 0.00 2.12 -1.26 -2.45 118.70 124.67 1wha s GLU 47 Ca 0.56 1.70 0.00 0.00 0.36 0.00 0.00 54.97 57.59 1wha s GLU 47 Cb -0.12 -1.82 0.00 0.00 0.26 0.00 0.00 34.13 32.45 1wha s GLU 47 CO 0.24 -1.96 0.00 0.41 -0.54 0.00 0.00 175.26 173.41 1wha n GLY 48 N 0.29 -0.15 0.00 -1.50 0.00 -1.26 -4.80 105.19 97.77 1wha n GLY 48 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.35 3.43 0.05 -0.02 0.00 -1.02 -4.87 105.19 102.41 1wha n GLY 49 Ca -0.03 -0.83 -0.03 0.00 0.00 0.00 0.00 46.02 45.13 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 0.30 -0.29 4.61 0.00 -1.26 -2.78 120.51 118.09 1wha n ALA 50 Ca 0.00 -0.32 0.16 0.00 0.00 0.00 0.00 53.44 53.28 1wha n ALA 50 Cb 0.00 0.01 0.43 0.00 0.00 0.00 0.00 19.45 19.89 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 -1.33 1.98 -0.30 0.00 0.00 -1.87 -0.14 119.26 117.59 1wha h ALA 51 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1wha h ALA 51 Cb 0.34 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1wha h ALA 51 CO 0.00 -0.29 0.00 1.58 0.00 0.00 0.00 179.25 180.54 1wha n HIS 52 N -4.60 0.00 -0.47 0.00 -0.00 -1.10 -3.85 115.22 105.19 1wha n HIS 52 Ca 0.21 0.00 0.39 0.00 -0.00 0.00 0.00 57.72 58.32 1wha n HIS 52 Cb 0.63 -0.45 0.66 0.00 -0.00 0.00 0.00 29.99 30.83 1wha n HIS 52 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 1wha n ARG 53 N -1.85 -0.03 0.00 1.57 0.63 -1.12 -1.47 116.66 114.39 1wha n ARG 53 Ca 0.00 1.18 0.00 0.00 -0.92 0.00 0.00 57.85 58.11 1wha n ARG 53 Cb 0.00 -2.36 0.00 0.00 0.45 0.00 0.00 32.46 30.55 1wha n ARG 53 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1wha n ALA 54 N -2.56 -0.03 0.00 5.13 0.00 -0.07 -4.89 120.51 118.10 1wha n ALA 54 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1wha n ALA 54 Cb 1.53 0.47 0.00 0.00 0.00 0.00 0.00 19.45 21.45 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 -1.00 1.01 2.02 0.00 0.00 -0.54 -4.92 105.19 101.76 1wha n GLY 55 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.03 2.87 -4.06 2.61 5.66 -1.26 -4.87 114.28 115.21 1wha n THR 56 Ca 0.00 -1.62 -0.21 0.00 -3.05 0.00 0.00 64.05 59.17 1wha n THR 56 Cb 0.00 -0.46 -0.17 0.00 -1.55 0.00 0.00 70.33 68.15 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 -2.86 1.15 -0.10 1.09 1.43 -1.26 -4.87 118.68 113.26 1wha s LEU 57 Ca 0.51 -0.13 -0.08 0.00 -1.03 0.00 0.00 54.13 53.40 1wha s LEU 57 Cb 0.42 -0.47 0.03 0.00 0.03 0.00 0.00 46.19 46.20 1wha s LEU 57 CO 0.11 -0.09 0.25 -1.10 0.23 0.00 0.00 176.35 175.75 1wha s GLN 58 N 1.20 0.28 -0.44 1.70 -0.21 -1.26 -4.87 119.66 116.07 1wha s GLN 58 Ca -0.07 0.37 -0.30 0.00 0.02 0.00 0.00 55.36 55.38 1wha s GLN 58 Cb -0.14 0.12 -0.09 0.00 1.00 0.00 0.00 33.01 33.90 1wha s GLN 58 CO -0.02 -0.05 2.34 0.28 -2.12 0.00 0.00 175.29 175.72 1wha n VAL 59 N 3.07 0.11 0.00 1.09 0.31 -1.26 -1.99 118.33 119.66 1wha n VAL 59 Ca -0.14 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.71 1wha n VAL 59 Cb 0.58 -2.19 0.00 0.00 -0.91 0.00 0.00 33.84 31.32 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 6.15 3.67 3.64 2.92 0.00 -0.90 -4.96 105.19 115.72 1wha n GLY 60 Ca 0.39 -0.52 -0.45 0.00 0.00 0.00 0.00 46.02 45.44 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 2.31 -4.82 1.61 8.00 -0.84 -4.52 116.55 118.28 1wha n ASP 61 Ca 0.00 1.15 -0.37 0.00 0.71 0.00 0.00 54.79 56.28 1wha n ASP 61 Cb 0.00 -1.37 -0.06 0.00 -0.02 0.00 0.00 41.12 39.67 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 -0.61 4.11 -0.51 -1.24 3.52 -1.26 -2.27 118.95 120.69 1wha s ARG 62 Ca 0.68 0.64 -0.18 0.00 -0.13 0.00 0.00 55.73 56.74 1wha s ARG 62 Cb -0.69 -3.08 0.08 0.00 -1.56 0.00 0.00 34.95 29.69 1wha s ARG 62 CO 0.52 0.55 0.55 0.08 -0.81 0.00 0.00 175.30 176.19 1wha s VAL 63 N -1.29 5.02 -0.03 7.11 1.01 0.63 -2.78 120.40 130.07 1wha s VAL 63 Ca 0.34 -0.85 -0.25 0.00 0.00 0.00 0.00 61.98 61.22 1wha s VAL 63 Cb -0.17 -4.27 -0.19 0.00 0.00 0.00 0.00 36.38 31.74 1wha s VAL 63 CO 0.19 -0.78 1.16 -0.07 0.00 0.00 0.00 175.10 175.60 1wha h LEU 64 N 9.36 -0.08 -9.01 3.92 3.38 -1.54 -3.37 115.31 117.96 1wha h LEU 64 Ca -0.28 -0.45 -0.39 0.00 0.09 0.00 0.00 57.88 56.85 1wha h LEU 64 Cb 1.10 0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.73 1wha h LEU 64 CO 0.96 0.43 -0.61 -0.44 0.09 0.00 0.00 178.44 178.88 1wha s SER 65 N -5.60 1.59 -0.18 -0.43 0.01 -1.25 -0.22 113.70 107.63 1wha s SER 65 Ca -0.15 -1.40 -0.05 0.00 1.31 0.00 0.00 55.95 55.65 1wha s SER 65 Cb 0.01 0.12 0.09 0.00 0.21 0.00 0.00 66.02 66.45 1wha s SER 65 CO 0.62 -0.72 0.34 -0.63 0.41 0.00 0.00 173.24 173.26 1wha s ILE 66 N -3.60 -0.53 -1.47 1.44 1.01 0.10 -2.48 121.20 115.67 1wha s ILE 66 Ca 0.37 0.17 -0.11 0.00 0.00 0.00 0.00 60.65 61.08 1wha s ILE 66 Cb 0.08 -0.59 0.05 0.00 0.01 0.00 0.00 42.46 42.01 1wha s ILE 66 CO 0.14 0.05 1.01 -3.20 0.00 0.00 0.00 174.94 172.95 1wha n ASN 67 N 5.37 -5.45 -1.36 3.58 2.85 0.69 -2.03 115.26 118.90 1wha n ASN 67 Ca -0.07 -0.64 -0.07 0.00 -0.11 0.00 0.00 54.58 53.70 1wha n ASN 67 Cb 0.50 -4.33 0.02 0.00 1.24 0.00 0.00 39.78 37.21 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 -1.77 0.53 3.00 8.20 0.00 -1.26 -5.02 105.19 108.87 1wha n GLY 68 Ca 0.02 -0.42 -0.14 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.09 -0.42 -0.16 1.61 1.01 -0.86 -5.11 120.40 113.38 1wha s VAL 69 Ca 0.16 0.27 -0.29 0.00 0.00 0.00 0.00 61.98 62.11 1wha s VAL 69 Cb -0.07 -0.45 -0.05 0.00 0.00 0.00 0.00 36.38 35.80 1wha s VAL 69 CO 0.20 0.11 1.97 -0.62 0.00 0.00 0.00 175.10 176.76 1wha s ASP 70 N 2.42 5.98 -0.16 3.32 2.15 -1.26 0.00 116.67 129.12 1wha s ASP 70 Ca 0.01 1.99 0.14 0.00 0.43 0.00 0.00 52.55 55.12 1wha s ASP 70 Cb -0.12 -2.52 0.39 0.00 -0.30 0.00 0.00 42.92 40.36 1wha s ASP 70 CO -0.09 -1.53 1.19 1.33 -0.17 0.00 0.00 175.17 175.91 1wha n VAL 71 N 6.81 1.78 0.08 1.11 0.24 0.70 -4.78 118.33 124.26 1wha n VAL 71 Ca 0.24 -2.67 -0.12 0.00 -2.04 0.00 0.00 64.34 59.74 1wha n VAL 71 Cb 0.44 -0.04 -0.06 0.00 -1.47 0.00 0.00 33.84 32.72 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 1.89 0.29 -0.36 3.34 1.35 -1.35 -2.84 112.91 115.23 1wha h THR 72 Ca -0.03 0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 65.73 1wha h THR 72 Cb 1.14 0.29 -0.06 0.00 -1.73 0.00 0.00 68.15 67.79 1wha h THR 72 CO 0.01 0.00 0.02 -0.62 -0.25 0.00 0.00 175.52 174.68 1wha n GLU 73 N -5.42 2.56 -2.27 4.72 1.02 -1.26 -4.21 120.64 115.79 1wha n GLU 73 Ca -0.06 -2.99 -0.34 0.00 -0.02 0.00 0.00 57.16 53.75 1wha n GLU 73 Cb 0.33 -1.88 -0.00 0.00 -0.02 0.00 0.00 31.44 29.87 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 -3.01 2.73 0.47 0.62 0.00 -1.07 -4.96 121.76 116.54 1wha s ALA 74 Ca 0.45 0.70 -0.22 0.00 0.00 0.00 0.00 51.96 52.88 1wha s ALA 74 Cb 0.38 -3.31 -0.07 0.00 0.00 0.00 0.00 23.12 20.11 1wha s ALA 74 CO 0.06 -0.69 1.12 1.03 0.00 0.00 0.00 175.76 177.28 1wha s ARG 75 N -3.42 3.75 0.02 0.00 0.52 -1.26 -4.24 118.95 114.31 1wha s ARG 75 Ca 0.70 1.64 -0.03 0.00 -0.52 0.00 0.00 55.73 57.52 1wha s ARG 75 Cb -0.21 -2.31 -0.01 0.00 0.52 0.00 0.00 34.95 32.95 1wha s ARG 75 CO 0.27 -0.53 1.01 1.58 0.02 0.00 0.00 175.30 177.66 1wha n HIS 76 N -0.65 -0.05 -0.29 -0.53 -0.00 -1.26 -0.10 115.22 112.34 1wha n HIS 76 Ca 0.08 0.14 0.09 0.00 -0.00 0.00 0.00 57.72 58.02 1wha n HIS 76 Cb 0.49 -0.49 0.25 0.00 -0.00 0.00 0.00 29.99 30.24 1wha n HIS 76 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.34 175.90 1wha h ASP 77 N 0.00 0.44 -0.07 0.26 5.19 -1.92 -1.55 116.42 118.76 1wha h ASP 77 Ca 0.02 0.11 0.04 0.00 -0.62 0.00 0.00 57.03 56.58 1wha h ASP 77 Cb 0.04 0.06 -0.06 0.00 0.18 0.00 0.00 39.33 39.55 1wha h ASP 77 CO -0.10 0.14 -0.33 -0.74 -3.12 0.00 0.00 179.24 175.09 1wha h HIS 78 N 0.53 -0.90 -0.70 4.55 2.76 -0.86 -0.21 115.15 120.32 1wha h HIS 78 Ca 0.49 0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.74 1wha h HIS 78 Cb 0.78 0.41 -0.05 0.00 1.55 0.00 0.00 27.41 30.09 1wha h HIS 78 CO -0.11 -0.41 0.41 0.00 -1.30 0.00 0.00 177.93 176.52 1wha h ALA 79 N 0.33 0.93 -0.79 5.26 0.00 0.08 -2.20 119.26 122.87 1wha h ALA 79 Ca 0.08 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1wha h ALA 79 Cb 0.56 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 1wha h ALA 79 CO -0.32 0.13 0.48 0.28 0.00 0.00 0.00 179.25 179.83 1wha h VAL 80 N 0.78 1.03 -1.17 0.00 2.07 -0.54 -1.61 116.25 116.81 1wha h VAL 80 Ca 0.30 -0.30 0.34 0.00 0.82 0.00 0.00 66.70 67.85 1wha h VAL 80 Cb 0.12 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 29.91 1wha h VAL 80 CO -0.15 0.16 1.20 -1.28 0.02 0.00 0.00 177.57 177.52 1wha h SER 81 N 0.89 0.00 0.07 0.57 0.87 -0.39 0.93 113.55 116.48 1wha h SER 81 Ca 0.34 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.54 1wha h SER 81 Cb 0.16 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.08 1wha h SER 81 CO -0.17 0.00 -2.06 0.18 -0.53 0.00 0.00 176.83 174.25 1wha n LEU 82 N -3.43 2.57 0.15 2.23 4.77 -0.62 -3.84 117.00 118.84 1wha n LEU 82 Ca 0.26 0.16 -0.13 0.00 -0.03 0.00 0.00 56.01 56.27 1wha n LEU 82 Cb 1.55 -1.03 -0.08 0.00 -2.33 0.00 0.00 43.42 41.54 1wha n LEU 82 CO 0.28 0.78 0.54 -0.07 -1.33 0.00 0.00 177.39 177.59 1wha h LEU 83 N -0.17 -0.33 -1.70 2.23 3.38 0.72 -2.82 115.31 116.62 1wha h LEU 83 Ca -0.47 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.31 1wha h LEU 83 Cb 1.87 0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.71 1wha h LEU 83 CO -0.03 0.04 0.06 0.71 0.09 0.00 0.00 178.44 179.30 1wha h THR 84 N -0.75 0.00 -2.47 0.22 1.35 -0.31 -3.44 112.91 107.52 1wha h THR 84 Ca -0.04 0.00 -0.60 0.00 -0.55 0.00 0.00 66.41 65.22 1wha h THR 84 Cb 0.50 0.57 0.14 0.00 -1.73 0.00 0.00 68.15 67.63 1wha h THR 84 CO 0.07 0.00 -0.29 0.00 -0.25 0.00 0.00 175.52 175.05 1wha n ALA 85 N -1.81 -1.19 -2.06 6.62 0.00 -1.07 -4.82 120.51 116.18 1wha n ALA 85 Ca -0.02 0.18 -0.42 0.00 0.00 0.00 0.00 53.44 53.18 1wha n ALA 85 Cb 0.10 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 17.71 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 -0.79 5.55 -2.48 0.00 0.00 -1.26 -4.92 120.51 116.60 1wha n ALA 86 Ca 0.11 -4.12 -0.25 0.00 0.00 0.00 0.00 53.44 49.18 1wha n ALA 86 Cb 0.39 -3.20 -0.15 0.00 0.00 0.00 0.00 19.45 16.49 1wha n ALA 86 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1wha s SER 87 N 1.78 2.17 0.28 0.00 1.04 -1.26 -5.02 113.70 112.69 1wha s SER 87 Ca 0.44 -0.36 0.24 0.00 0.48 0.00 0.00 55.95 56.75 1wha s SER 87 Cb 0.12 -0.23 1.01 0.00 0.10 0.00 0.00 66.02 67.02 1wha s SER 87 CO -0.04 0.21 1.73 -0.81 0.98 0.00 0.00 173.24 175.31 1wha n PRO 88 N 2.50 0.21 -4.22 4.02 -0.04 -1.26 -4.17 135.00 132.03 1wha n PRO 88 Ca -0.15 0.44 -0.18 0.00 -0.04 0.00 0.00 63.50 63.57 1wha n PRO 88 Cb 0.54 -1.90 -0.12 0.00 -0.04 0.00 0.00 33.50 31.97 1wha n PRO 88 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1wha s THR 89 N -3.34 0.99 -0.22 0.52 -4.23 -1.26 -3.44 115.64 104.66 1wha s THR 89 Ca 0.04 -1.10 -0.03 0.00 -1.18 0.00 0.00 61.69 59.42 1wha s THR 89 Cb 0.09 -0.94 0.10 0.00 1.34 0.00 0.00 72.50 73.09 1wha s THR 89 CO 0.40 -0.14 0.24 -0.63 -0.54 0.00 0.00 174.62 173.94 1wha s ILE 90 N -1.07 -0.34 -0.17 2.99 1.01 -1.21 -4.93 121.20 117.48 1wha s ILE 90 Ca -0.02 -0.19 -0.22 0.00 0.00 0.00 0.00 60.65 60.23 1wha s ILE 90 Cb -0.09 -0.74 -0.02 0.00 0.01 0.00 0.00 42.46 41.62 1wha s ILE 90 CO 0.01 -0.26 0.69 0.00 0.00 0.00 0.00 174.94 175.39 1wha s ALA 91 N 2.33 3.51 -0.15 9.38 0.00 -1.26 -3.92 121.76 131.65 1wha s ALA 91 Ca 0.08 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 51.90 1wha s ALA 91 Cb -0.16 -3.03 0.02 0.00 0.00 0.00 0.00 23.12 19.95 1wha s ALA 91 CO -0.16 -0.52 -0.15 -0.51 0.00 0.00 0.00 175.76 174.42 1wha s LEU 92 N 1.82 1.74 -0.78 0.00 1.43 -1.02 -0.23 118.68 121.65 1wha s LEU 92 Ca 0.32 -0.50 -0.24 0.00 -1.03 0.00 0.00 54.13 52.68 1wha s LEU 92 Cb -0.16 -1.21 0.06 0.00 0.03 0.00 0.00 46.19 44.90 1wha s LEU 92 CO 0.12 -0.04 1.19 -0.22 0.23 0.00 0.00 176.35 177.63 1wha s LEU 93 N 1.43 3.81 0.01 1.79 2.96 -1.04 -2.48 118.68 125.17 1wha s LEU 93 Ca 0.04 -0.97 -0.11 0.00 -0.22 0.00 0.00 54.13 52.88 1wha s LEU 93 Cb -0.13 -2.50 -0.05 0.00 0.50 0.00 0.00 46.19 44.01 1wha s LEU 93 CO -0.10 -1.57 0.35 -0.76 -1.32 0.00 0.00 176.35 172.94 1wha s LEU 94 N 4.75 4.40 -0.27 -0.68 1.43 -1.05 -1.39 118.68 125.87 1wha s LEU 94 Ca 0.33 0.77 -0.05 0.00 -1.03 0.00 0.00 54.13 54.15 1wha s LEU 94 Cb -0.09 -2.68 0.01 0.00 0.03 0.00 0.00 46.19 43.46 1wha s LEU 94 CO 0.06 0.27 0.01 -0.70 0.23 0.00 0.00 176.35 176.23 1wha s GLU 95 N -1.49 3.05 -0.49 1.70 2.56 -1.12 -1.17 118.70 121.74 1wha s GLU 95 Ca 0.27 -0.86 -0.22 0.00 0.00 0.00 0.00 54.97 54.16 1wha s GLU 95 Cb -0.14 -3.18 0.04 0.00 2.00 0.00 0.00 34.13 32.84 1wha s GLU 95 CO 0.14 -0.39 0.75 0.50 -0.56 0.00 0.00 175.26 175.70 1wha s ARG 96 N 1.44 3.26 -0.06 4.30 6.06 -0.67 -4.29 118.95 129.00 1wha s ARG 96 Ca 0.02 -0.47 -0.23 0.00 -2.50 0.00 0.00 55.73 52.56 1wha s ARG 96 Cb -0.17 -4.03 -0.04 0.00 0.06 0.00 0.00 34.95 30.78 1wha s ARG 96 CO -0.01 -1.23 0.67 -1.21 -2.50 0.00 0.00 175.30 171.02 1wha s GLU 97 N 3.16 4.42 -0.94 5.12 2.02 -1.26 -1.57 118.70 129.66 1wha s GLU 97 Ca 0.24 0.84 -0.24 0.00 0.02 0.00 0.00 54.97 55.82 1wha s GLU 97 Cb -0.15 -3.43 -0.00 0.00 0.10 0.00 0.00 34.13 30.65 1wha s GLU 97 CO 0.17 0.11 1.70 0.00 0.02 0.00 0.00 175.26 177.27 1wha s ALA 98 N 0.64 2.18 0.00 5.21 0.00 -1.26 -4.91 121.76 123.61 1wha s ALA 98 Ca 0.36 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.52 1wha s ALA 98 Cb -0.18 -4.53 0.00 0.00 0.00 0.00 0.00 23.12 18.42 1wha s ALA 98 CO 0.18 -4.21 0.00 0.41 0.00 0.00 0.00 175.76 172.14 1wha n GLY 99 N 6.78 -1.62 4.50 0.00 0.00 -1.26 -4.74 105.19 108.85 1wha n GLY 99 Ca 0.35 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.96 1wha n GLY 99 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wha n SER 100 N 0.00 -1.40 -4.11 1.61 3.41 -1.26 -4.86 113.62 107.01 1wha n SER 100 Ca 0.00 -1.25 -0.37 0.00 -0.26 0.00 0.00 58.87 57.00 1wha n SER 100 Cb 0.00 -1.64 -0.07 0.00 -0.26 0.00 0.00 64.21 62.24 1wha n SER 100 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wha s GLY 101 N -3.44 2.97 -0.53 5.00 0.00 -1.26 -5.04 107.32 105.02 1wha s GLY 101 Ca 0.69 -3.73 -0.27 0.00 0.00 0.00 0.00 44.72 41.42 1wha s GLY 101 CO 1.02 1.18 1.81 2.56 0.00 0.00 0.00 173.10 179.67 1wha s PRO 102 N -1.08 2.88 -0.01 2.90 0.04 -1.26 -4.88 135.00 133.58 1wha s PRO 102 Ca 0.25 0.84 -0.22 0.00 0.04 0.00 0.00 61.00 61.91 1wha s PRO 102 Cb -0.10 -4.31 -0.14 0.00 0.04 0.00 0.00 34.50 30.00 1wha s PRO 102 CO -0.11 -2.42 0.99 0.77 0.04 0.00 0.00 177.00 176.28 1wha h SER 103 N 14.08 -0.48 -0.51 6.66 0.02 -2.03 -3.31 113.55 127.97 1wha h SER 103 Ca -0.28 -0.10 0.05 0.00 -0.84 0.00 0.00 61.79 60.63 1wha h SER 103 Cb 1.16 0.13 -0.07 0.00 0.14 0.00 0.00 62.40 63.75 1wha h SER 103 CO 1.16 -0.07 -0.43 -1.28 -1.14 0.00 0.00 176.83 175.07 1wha h SER 104 N -1.01 -1.49 0.00 3.07 0.87 -2.06 -3.57 113.55 109.35 1wha h SER 104 Ca -0.06 0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1wha h SER 104 Cb 0.55 0.64 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1wha h SER 104 CO 0.10 -0.24 0.00 0.61 -0.53 0.00 0.00 176.83 176.77