#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wha n SER 2 N 0.00 1.65 -3.30 1.61 2.88 -1.26 -4.80 113.62 110.40 1wha n SER 2 Ca 0.00 -1.53 -0.06 0.00 -1.33 0.00 0.00 58.87 55.96 1wha n SER 2 Cb 0.00 -1.63 -0.06 0.00 -0.75 0.00 0.00 64.21 61.77 1wha n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wha s SER 3 N 10.34 -0.17 -1.05 -3.46 0.01 -1.26 -5.07 113.70 113.05 1wha s SER 3 Ca 0.94 0.36 -0.03 0.00 1.31 0.00 0.00 55.95 58.52 1wha s SER 3 Cb -0.15 1.38 0.31 0.00 0.21 0.00 0.00 66.02 67.77 1wha s SER 3 CO 0.11 -0.29 1.59 0.61 0.41 0.00 0.00 173.24 175.66 1wha n GLY 4 N 5.38 5.54 3.21 3.44 0.00 -1.26 -4.97 105.19 116.53 1wha n GLY 4 Ca -0.03 -2.64 -0.34 0.00 0.00 0.00 0.00 46.02 43.01 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 -1.68 3.69 1.02 1.61 0.01 -1.26 -4.77 113.70 112.31 1wha s SER 5 Ca 0.34 -0.55 -0.21 0.00 1.31 0.00 0.00 55.95 56.85 1wha s SER 5 Cb 0.11 -1.60 -0.10 0.00 0.21 0.00 0.00 66.02 64.64 1wha s SER 5 CO 0.02 -0.01 -0.80 -1.54 0.41 0.00 0.00 173.24 171.31 1wha n SER 6 N 4.70 -3.62 -3.68 2.44 3.41 -1.26 -4.79 113.62 110.83 1wha n SER 6 Ca -0.20 0.07 -0.09 0.00 -0.26 0.00 0.00 58.87 58.39 1wha n SER 6 Cb 0.50 -0.75 -0.10 0.00 -0.26 0.00 0.00 64.21 63.60 1wha n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wha s GLY 7 N -1.29 -0.38 0.11 5.00 0.00 -0.54 -4.94 107.32 105.27 1wha s GLY 7 Ca 0.44 1.64 -0.07 0.00 0.00 0.00 0.00 44.72 46.72 1wha s GLY 7 CO 0.71 2.01 0.39 0.50 0.00 0.00 0.00 173.10 176.70 1wha s ARG 8 N 1.82 3.69 0.38 2.90 0.52 -1.26 -2.23 118.95 124.77 1wha s ARG 8 Ca -0.07 0.05 0.05 0.00 -0.52 0.00 0.00 55.73 55.24 1wha s ARG 8 Cb -0.09 -2.93 -0.03 0.00 0.52 0.00 0.00 34.95 32.43 1wha s ARG 8 CO -0.14 0.52 0.17 -1.01 0.02 0.00 0.00 175.30 174.86 1wha s HIS 9 N -1.51 1.76 0.00 -0.53 3.76 -1.13 -4.99 115.29 112.64 1wha s HIS 9 Ca 0.36 -1.39 0.04 0.00 -0.15 0.00 0.00 55.06 53.92 1wha s HIS 9 Cb -0.13 -1.02 -0.01 0.00 1.11 0.00 0.00 32.58 32.53 1wha s HIS 9 CO 0.21 -0.46 -0.12 0.54 -0.85 0.00 0.00 174.74 174.05 1wha s VAL 10 N -3.31 0.92 -0.06 -0.90 0.11 -1.26 -2.83 120.40 113.07 1wha s VAL 10 Ca 0.29 -0.61 0.00 0.00 -2.93 0.00 0.00 61.98 58.73 1wha s VAL 10 Cb 0.03 -0.79 0.02 0.00 -1.53 0.00 0.00 36.38 34.11 1wha s VAL 10 CO 0.18 0.18 -0.03 0.00 -3.33 0.00 0.00 175.10 172.10 1wha s ALA 11 N -0.42 0.72 -0.40 1.54 0.00 -1.07 -4.97 121.76 117.16 1wha s ALA 11 Ca 0.03 -0.11 0.04 0.00 0.00 0.00 0.00 51.96 51.92 1wha s ALA 11 Cb -0.05 -0.57 0.11 0.00 0.00 0.00 0.00 23.12 22.61 1wha s ALA 11 CO -0.00 -0.20 0.13 0.00 0.00 0.00 0.00 175.76 175.69 1wha s LEU 13 N 0.54 3.85 -0.51 0.00 1.43 -1.25 -4.90 118.68 117.84 1wha s LEU 13 Ca 0.13 0.23 -0.15 0.00 -1.03 0.00 0.00 54.13 53.32 1wha s LEU 13 Cb -0.21 -3.11 0.11 0.00 0.03 0.00 0.00 46.19 43.01 1wha s LEU 13 CO -0.06 -0.50 0.45 0.00 0.23 0.00 0.00 176.35 176.46 1wha s ALA 14 N -2.38 3.58 0.50 4.21 0.00 -1.26 -3.55 121.76 122.86 1wha s ALA 14 Ca 0.44 -2.43 -0.23 0.00 0.00 0.00 0.00 51.96 49.74 1wha s ALA 14 Cb -0.10 -3.14 -0.07 0.00 0.00 0.00 0.00 23.12 19.81 1wha s ALA 14 CO 0.36 -1.93 1.38 0.50 0.00 0.00 0.00 175.76 176.07 1wha s ARG 15 N 1.57 3.43 0.02 0.00 3.52 -0.97 -4.87 118.95 121.65 1wha s ARG 15 Ca 0.04 2.30 0.00 0.00 -0.13 0.00 0.00 55.73 57.94 1wha s ARG 15 Cb -0.28 -2.46 -0.02 0.00 -1.56 0.00 0.00 34.95 30.63 1wha s ARG 15 CO 0.03 -0.98 -0.03 -1.54 -0.81 0.00 0.00 175.30 171.97 1wha s SER 16 N -0.76 0.29 0.39 -2.12 1.04 -1.26 -4.78 113.70 106.50 1wha s SER 16 Ca 0.66 -0.47 0.16 0.00 0.48 0.00 0.00 55.95 56.78 1wha s SER 16 Cb -0.41 0.08 1.03 0.00 0.10 0.00 0.00 66.02 66.82 1wha s SER 16 CO 0.51 -0.26 1.81 1.05 0.98 0.00 0.00 173.24 177.33 1wha h GLU 17 N 4.75 0.45 0.00 4.02 4.11 -2.01 0.57 114.58 126.48 1wha h GLU 17 Ca -0.32 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.07 1wha h GLU 17 Cb 1.21 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 1wha h GLU 17 CO 0.42 0.30 -0.05 0.00 0.07 0.00 0.00 179.01 179.74 1wha h ARG 18 N 0.46 0.00 0.00 1.06 3.08 -2.01 -3.46 114.38 113.51 1wha h ARG 18 Ca 0.54 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.59 1wha h ARG 18 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 1wha h ARG 18 CO -0.25 0.05 0.00 0.41 -1.07 0.00 0.00 179.97 179.11 1wha n GLY 19 N -1.12 3.07 0.12 0.04 0.00 0.20 -4.99 105.19 102.52 1wha n GLY 19 Ca -0.03 -0.83 -0.03 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.31 0.00 0.99 4.77 -1.24 -4.69 117.00 116.53 1wha n LEU 20 Ca 0.00 0.92 0.00 0.00 -0.03 0.00 0.00 56.01 56.90 1wha n LEU 20 Cb 0.00 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1wha n LEU 20 CO 0.00 -0.62 0.00 0.61 -1.33 0.00 0.00 177.39 176.05 1wha n GLY 21 N -1.07 1.35 3.83 -0.72 0.00 -1.26 -4.84 105.19 102.47 1wha n GLY 21 Ca 0.01 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 3.33 0.35 1.61 -0.71 -1.26 -3.74 117.98 117.55 1wha s PHE 22 Ca 0.00 1.56 0.09 0.00 -1.04 0.00 0.00 56.93 57.54 1wha s PHE 22 Cb 0.00 -2.85 -0.06 0.00 -1.21 0.00 0.00 43.02 38.90 1wha s PHE 22 CO 0.00 -0.27 -0.08 0.45 -1.34 0.00 0.00 175.22 173.98 1wha s SER 23 N -2.49 3.80 0.13 1.98 0.15 0.96 -4.94 113.70 113.29 1wha s SER 23 Ca 0.61 -1.17 0.07 0.00 0.70 0.00 0.00 55.95 56.16 1wha s SER 23 Cb -0.10 -0.38 -0.04 0.00 -1.71 0.00 0.00 66.02 63.79 1wha s SER 23 CO 0.20 -0.21 -0.07 0.27 1.20 0.00 0.00 173.24 174.63 1wha s ILE 24 N -2.60 3.46 -0.12 6.45 -4.36 -1.26 -2.93 121.20 119.83 1wha s ILE 24 Ca 0.33 -1.34 -0.06 0.00 -0.26 0.00 0.00 60.65 59.32 1wha s ILE 24 Cb 0.02 -2.66 0.05 0.00 1.25 0.00 0.00 42.46 41.13 1wha s ILE 24 CO 0.17 0.04 0.27 0.00 0.24 0.00 0.00 174.94 175.66 1wha s ALA 25 N -1.39 -0.63 0.00 2.27 0.00 0.16 -4.72 121.76 117.44 1wha s ALA 25 Ca 0.23 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.25 1wha s ALA 25 Cb -0.10 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.21 1wha s ALA 25 CO 0.15 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.97 1wha n GLY 26 N 4.61 2.39 3.27 0.00 0.00 -1.15 -0.11 105.19 114.20 1wha n GLY 26 Ca -0.19 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.52 3.66 -0.02 0.00 -1.11 -4.39 105.19 100.81 1wha n GLY 27 Ca 0.00 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 44.90 1wha n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wha s LYS 28 N -3.31 4.19 0.00 1.61 1.02 -1.26 -4.03 119.74 117.96 1wha s LYS 28 Ca 0.54 0.46 0.00 0.00 0.02 0.00 0.00 55.97 56.98 1wha s LYS 28 Cb -0.12 -3.57 0.00 0.00 -0.52 0.00 0.00 37.83 33.62 1wha s LYS 28 CO 0.67 -0.17 0.00 0.41 -0.92 0.00 0.00 175.35 175.34 1wha n GLY 29 N 3.88 1.72 0.14 -3.33 0.00 -1.26 -2.82 105.19 103.53 1wha n GLY 29 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1wha n GLY 29 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wha n SER 30 N 0.00 0.00 -3.64 1.61 7.64 -1.26 -5.09 113.62 112.89 1wha n SER 30 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 1wha n SER 30 Cb 0.00 -0.15 -0.07 0.00 -1.01 0.00 0.00 64.21 62.98 1wha n SER 30 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1wha s THR 31 N -0.45 0.00 -1.13 0.44 2.01 -1.26 -5.09 115.64 110.16 1wha s THR 31 Ca 0.00 0.00 -0.23 0.00 0.31 0.00 0.00 61.69 61.77 1wha s THR 31 Cb 0.00 -1.00 -0.08 0.00 0.01 0.00 0.00 72.50 71.43 1wha s THR 31 CO 0.00 0.00 1.94 -2.16 -0.69 0.00 0.00 174.62 173.71 1wha s PRO 32 N 0.88 2.50 0.46 4.92 0.04 -1.26 -2.92 135.00 139.63 1wha s PRO 32 Ca -0.04 -1.01 0.42 0.00 0.04 0.00 0.00 61.00 60.41 1wha s PRO 32 Cb -0.05 -5.21 1.45 0.00 0.04 0.00 0.00 34.50 30.73 1wha s PRO 32 CO -0.11 -3.88 1.30 0.98 0.04 0.00 0.00 177.00 175.33 1wha n TYR 33 N 14.33 0.02 -3.94 0.56 9.36 -1.26 -4.04 117.16 132.18 1wha n TYR 33 Ca 0.44 0.02 -0.14 0.00 3.32 0.00 0.00 57.90 61.53 1wha n TYR 33 Cb 0.47 -0.43 -0.15 0.00 -0.63 0.00 0.00 39.34 38.60 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 -4.56 0.16 -0.21 2.98 0.52 -1.26 -4.99 118.95 111.59 1wha s ARG 34 Ca -0.04 -0.00 -0.29 0.00 -0.52 0.00 0.00 55.73 54.88 1wha s ARG 34 Cb 0.23 -0.24 -0.06 0.00 0.52 0.00 0.00 34.95 35.40 1wha s ARG 34 CO 0.75 -0.03 2.20 0.00 0.02 0.00 0.00 175.30 178.24 1wha n ALA 35 N 3.44 1.72 -2.09 2.13 0.00 -1.26 -1.33 120.51 123.12 1wha n ALA 35 Ca -0.18 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1wha n ALA 35 Cb 0.56 -2.88 0.00 0.00 0.00 0.00 0.00 19.45 17.13 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 5.72 0.55 3.09 0.00 0.00 -1.26 -5.06 105.19 108.24 1wha n GLY 36 Ca 0.30 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.98 2.58 -0.29 1.61 1.11 -0.44 -5.00 116.67 113.25 1wha s ASP 37 Ca 0.00 -0.46 0.11 0.00 0.18 0.00 0.00 52.55 52.38 1wha s ASP 37 Cb 0.00 -1.17 0.63 0.00 1.07 0.00 0.00 42.92 43.45 1wha s ASP 37 CO 0.00 0.04 1.64 0.00 1.18 0.00 0.00 175.17 178.03 1wha n ALA 38 N 4.07 4.19 -2.37 5.23 0.00 -1.26 -4.69 120.51 125.68 1wha n ALA 38 Ca -0.20 -2.58 0.00 0.00 0.00 0.00 0.00 53.44 50.67 1wha n ALA 38 Cb 0.51 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.56 2.19 2.67 0.00 0.00 -1.25 -4.11 105.19 104.13 1wha n GLY 39 Ca 0.36 -2.07 -0.24 0.00 0.00 0.00 0.00 46.02 44.06 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 1.61 0.09 0.20 -0.61 1.01 -1.26 -2.73 121.20 119.50 1wha s ILE 40 Ca 0.00 -0.04 0.11 0.00 0.00 0.00 0.00 60.65 60.73 1wha s ILE 40 Cb 0.00 -0.54 -0.04 0.00 0.01 0.00 0.00 42.46 41.89 1wha s ILE 40 CO 0.00 -0.07 -0.23 -0.36 0.00 0.00 0.00 174.94 174.28 1wha s PHE 41 N 2.07 2.32 -0.14 3.97 0.40 0.84 -0.51 117.98 126.93 1wha s PHE 41 Ca 0.03 -0.35 -0.29 0.00 -0.60 0.00 0.00 56.93 55.71 1wha s PHE 41 Cb -0.15 -1.14 -0.03 0.00 0.51 0.00 0.00 43.02 42.21 1wha s PHE 41 CO -0.07 0.51 1.47 0.08 0.70 0.00 0.00 175.22 177.91 1wha s VAL 42 N -1.71 3.92 -0.07 -0.44 1.01 -0.99 0.38 120.40 122.50 1wha s VAL 42 Ca 0.21 1.10 0.21 0.00 0.00 0.00 0.00 61.98 63.50 1wha s VAL 42 Cb -0.08 -3.76 -0.32 0.00 0.00 0.00 0.00 36.38 32.22 1wha s VAL 42 CO 0.10 -0.16 0.39 -0.24 0.00 0.00 0.00 175.10 175.19 1wha n SER 43 N 7.17 0.02 -3.82 3.32 2.88 -1.15 -0.39 113.62 121.65 1wha n SER 43 Ca 0.16 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.58 1wha n SER 43 Cb 0.44 1.78 -0.12 0.00 -0.75 0.00 0.00 64.21 65.56 1wha n SER 43 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1wha s ARG 44 N -3.29 0.24 -0.05 -1.46 6.06 -1.24 -4.98 118.95 114.23 1wha s ARG 44 Ca -0.08 0.16 0.00 0.00 -2.50 0.00 0.00 55.73 53.30 1wha s ARG 44 Cb 0.12 0.11 0.03 0.00 0.06 0.00 0.00 34.95 35.27 1wha s ARG 44 CO 0.89 -0.04 -0.02 0.42 -2.50 0.00 0.00 175.30 174.06 1wha s ILE 45 N -0.10 0.38 -0.37 4.11 1.01 -1.26 -0.03 121.20 124.94 1wha s ILE 45 Ca -0.02 0.02 -0.28 0.00 0.00 0.00 0.00 60.65 60.37 1wha s ILE 45 Cb -0.02 -0.47 -0.07 0.00 0.01 0.00 0.00 42.46 41.91 1wha s ILE 45 CO 0.00 0.22 2.33 0.00 0.00 0.00 0.00 174.94 177.49 1wha n ALA 46 N 4.45 1.24 -1.46 9.38 0.00 -1.25 -4.82 120.51 128.06 1wha n ALA 46 Ca -0.19 -0.55 -0.34 0.00 0.00 0.00 0.00 53.44 52.36 1wha n ALA 46 Cb 0.50 -3.01 0.07 0.00 0.00 0.00 0.00 19.45 17.02 1wha n ALA 46 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1wha s GLU 47 N 7.31 2.47 -1.77 0.00 2.12 -1.26 -2.28 118.70 125.28 1wha s GLU 47 Ca 1.01 1.65 -0.22 0.00 0.36 0.00 0.00 54.97 57.78 1wha s GLU 47 Cb -0.33 -1.88 0.22 0.00 0.26 0.00 0.00 34.13 32.39 1wha s GLU 47 CO 0.33 -1.56 0.54 0.41 -0.54 0.00 0.00 175.26 174.44 1wha n GLY 48 N 0.13 -0.37 0.00 -1.50 0.00 -1.26 -4.82 105.19 97.38 1wha n GLY 48 Ca 0.12 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.09 4.44 0.13 -0.02 0.00 -1.17 -4.95 105.19 102.52 1wha n GLY 49 Ca 0.09 -0.77 -0.22 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 0.94 0.10 4.61 0.00 -1.26 -3.35 120.51 118.54 1wha n ALA 50 Ca 0.00 -0.65 -0.13 0.00 0.00 0.00 0.00 53.44 52.66 1wha n ALA 50 Cb 0.00 -0.54 -0.08 0.00 0.00 0.00 0.00 19.45 18.82 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 -0.14 -0.27 0.91 0.00 0.00 -1.89 -2.74 119.26 115.13 1wha h ALA 51 Ca -0.44 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.24 1wha h ALA 51 Cb 1.82 0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.72 1wha h ALA 51 CO -0.03 -0.47 -0.45 1.25 0.00 0.00 0.00 179.25 179.54 1wha h HIS 52 N -0.63 -1.18 -0.94 0.00 6.17 -1.68 -2.92 115.15 113.99 1wha h HIS 52 Ca -0.03 -0.03 0.25 0.00 0.71 0.00 0.00 60.37 61.27 1wha h HIS 52 Cb 0.45 0.39 -0.17 0.00 2.52 0.00 0.00 27.41 30.61 1wha h HIS 52 CO 0.03 -0.72 0.03 0.00 0.71 0.00 0.00 177.93 177.98 1wha h ARG 53 N -1.24 0.04 -0.45 5.26 3.08 -1.66 -1.42 114.38 118.00 1wha h ARG 53 Ca -0.12 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.96 1wha h ARG 53 Cb 0.96 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.94 1wha h ARG 53 CO 0.19 0.03 -0.26 0.00 -1.07 0.00 0.00 179.97 178.86 1wha n ALA 54 N -3.09 -0.29 0.00 0.04 0.00 -1.03 -4.84 120.51 111.30 1wha n ALA 54 Ca 0.21 0.38 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1wha n ALA 54 Cb 0.69 0.12 0.00 0.00 0.00 0.00 0.00 19.45 20.25 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 -1.11 3.11 0.21 0.00 0.00 -0.54 -4.84 105.19 102.03 1wha n GLY 55 Ca 0.01 -0.96 0.09 0.00 0.00 0.00 0.00 46.02 45.16 1wha n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wha h THR 56 N 0.00 0.57 -3.37 2.61 1.03 -1.87 -3.42 112.91 108.47 1wha h THR 56 Ca 0.00 -1.21 -0.60 0.00 -0.01 0.00 0.00 66.41 64.59 1wha h THR 56 Cb 0.00 1.82 -0.10 0.00 -1.07 0.00 0.00 68.15 68.81 1wha h THR 56 CO 0.00 0.24 0.32 -0.76 -0.01 0.00 0.00 175.52 175.31 1wha s LEU 57 N -6.76 4.09 -0.07 0.00 1.43 -1.26 -5.04 118.68 111.07 1wha s LEU 57 Ca 0.01 0.91 -0.04 0.00 -1.03 0.00 0.00 54.13 53.98 1wha s LEU 57 Cb 0.10 -3.04 0.04 0.00 0.03 0.00 0.00 46.19 43.31 1wha s LEU 57 CO 0.65 -0.43 0.17 -1.10 0.23 0.00 0.00 176.35 175.87 1wha s GLN 58 N 2.57 0.14 -0.31 1.70 -0.21 -1.26 -4.80 119.66 117.48 1wha s GLN 58 Ca 0.31 0.37 -0.41 0.00 0.02 0.00 0.00 55.36 55.66 1wha s GLN 58 Cb -0.15 -0.11 -0.16 0.00 1.00 0.00 0.00 33.01 33.59 1wha s GLN 58 CO 0.08 -0.13 1.75 0.28 -2.12 0.00 0.00 175.29 175.15 1wha n VAL 59 N 3.93 0.27 0.00 1.09 0.31 -1.26 -1.71 118.33 120.96 1wha n VAL 59 Ca -0.23 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1wha n VAL 59 Cb 0.54 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.32 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 4.31 2.81 3.71 2.92 0.00 0.47 -4.92 105.19 114.49 1wha n GLY 60 Ca 0.28 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 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 3.08 -4.85 1.61 8.00 -0.70 -4.52 116.55 119.18 1wha n ASP 61 Ca 0.00 1.18 -0.34 0.00 0.71 0.00 0.00 54.79 56.33 1wha n ASP 61 Cb 0.00 -1.50 -0.06 0.00 -0.02 0.00 0.00 41.12 39.54 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 -1.18 3.99 -0.55 -1.24 3.52 -1.26 -2.36 118.95 119.87 1wha s ARG 62 Ca 0.61 0.53 -0.15 0.00 -0.13 0.00 0.00 55.73 56.59 1wha s ARG 62 Cb -0.57 -2.82 0.14 0.00 -1.56 0.00 0.00 34.95 30.14 1wha s ARG 62 CO 0.56 0.40 0.50 0.08 -0.81 0.00 0.00 175.30 176.03 1wha s VAL 63 N -1.60 5.09 0.08 7.11 1.01 0.33 -2.75 120.40 129.68 1wha s VAL 63 Ca 0.42 -1.62 -0.30 0.00 0.00 0.00 0.00 61.98 60.48 1wha s VAL 63 Cb -0.14 -4.26 -0.16 0.00 0.00 0.00 0.00 36.38 31.81 1wha s VAL 63 CO 0.20 -0.87 1.65 -0.07 0.00 0.00 0.00 175.10 176.01 1wha h LEU 64 N 8.73 -0.60 -8.68 3.92 3.38 -1.16 -3.39 115.31 117.51 1wha h LEU 64 Ca -0.26 0.03 -0.33 0.00 0.09 0.00 0.00 57.88 57.42 1wha h LEU 64 Cb 1.09 0.17 -0.15 0.00 0.09 0.00 0.00 40.66 41.87 1wha h LEU 64 CO 0.99 -0.40 -0.70 -0.94 0.09 0.00 0.00 178.44 177.48 1wha s SER 65 N -4.64 1.73 -0.34 -0.43 1.04 -1.25 -2.75 113.70 107.06 1wha s SER 65 Ca -0.16 -1.06 -0.00 0.00 0.48 0.00 0.00 55.95 55.20 1wha s SER 65 Cb 0.05 0.01 0.11 0.00 0.10 0.00 0.00 66.02 66.28 1wha s SER 65 CO 0.63 -0.38 0.14 -0.63 0.98 0.00 0.00 173.24 173.98 1wha s ILE 66 N -3.38 0.87 -0.55 -1.02 1.01 -1.18 -2.44 121.20 114.51 1wha s ILE 66 Ca 0.19 -1.63 0.00 0.00 0.00 0.00 0.00 60.65 59.21 1wha s ILE 66 Cb 0.03 -1.65 0.00 0.00 0.01 0.00 0.00 42.46 40.86 1wha s ILE 66 CO 0.02 -0.75 0.00 -3.20 0.00 0.00 0.00 174.94 171.01 1wha n ASN 67 N 4.53 -3.00 -0.59 3.58 2.85 -0.51 -3.87 115.26 118.26 1wha n ASN 67 Ca 0.01 0.06 0.00 0.00 -0.11 0.00 0.00 54.58 54.55 1wha n ASN 67 Cb 0.40 -1.72 0.00 0.00 1.24 0.00 0.00 39.78 39.70 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 -1.61 0.48 3.25 8.20 0.00 -1.26 -4.96 105.19 109.29 1wha n GLY 68 Ca -0.06 -0.29 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 1wha n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wha s VAL 69 N -2.18 0.11 -0.60 1.61 0.11 -1.25 -5.12 120.40 113.08 1wha s VAL 69 Ca 0.00 -1.37 -0.17 0.00 -2.93 0.00 0.00 61.98 57.50 1wha s VAL 69 Cb 0.00 -1.64 0.12 0.00 -1.53 0.00 0.00 36.38 33.33 1wha s VAL 69 CO 0.00 -0.49 0.65 -0.62 -3.33 0.00 0.00 175.10 171.31 1wha s ASP 70 N -2.93 6.25 -0.02 3.54 2.15 -1.26 -3.10 116.67 121.29 1wha s ASP 70 Ca 0.12 -1.68 0.05 0.00 0.43 0.00 0.00 52.55 51.47 1wha s ASP 70 Cb 0.05 -2.27 0.12 0.00 -0.30 0.00 0.00 42.92 40.52 1wha s ASP 70 CO -0.05 -0.98 1.09 1.33 -0.17 0.00 0.00 175.17 176.39 1wha n VAL 71 N 5.32 1.12 -0.29 1.11 0.24 -1.17 -4.62 118.33 120.04 1wha n VAL 71 Ca -0.08 -1.14 0.11 0.00 -2.04 0.00 0.00 64.34 61.18 1wha n VAL 71 Cb 0.42 0.41 0.26 0.00 -1.47 0.00 0.00 33.84 33.46 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 0.55 0.37 0.00 3.34 1.35 -1.72 -1.39 112.91 115.41 1wha h THR 72 Ca 0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 1wha h THR 72 Cb 0.63 0.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.17 1wha h THR 72 CO 0.01 0.04 -0.00 -0.62 -0.25 0.00 0.00 175.52 174.70 1wha n GLU 73 N -5.21 1.47 -1.31 4.72 1.02 -1.26 -3.84 120.64 116.24 1wha n GLU 73 Ca 0.19 -2.43 -0.29 0.00 -0.02 0.00 0.00 57.16 54.61 1wha n GLU 73 Cb 0.61 -1.43 0.15 0.00 -0.02 0.00 0.00 31.44 30.76 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 -2.63 1.37 0.66 0.62 0.00 -0.53 -4.96 121.76 116.30 1wha s ALA 74 Ca 0.28 -0.36 -0.07 0.00 0.00 0.00 0.00 51.96 51.82 1wha s ALA 74 Cb 0.24 -3.10 0.04 0.00 0.00 0.00 0.00 23.12 20.30 1wha s ALA 74 CO 0.03 -2.53 0.97 1.03 0.00 0.00 0.00 175.76 175.26 1wha s ARG 75 N -5.07 2.54 0.07 0.00 0.52 -1.26 -4.32 118.95 111.42 1wha s ARG 75 Ca 0.64 -0.11 -0.37 0.00 -0.52 0.00 0.00 55.73 55.36 1wha s ARG 75 Cb -0.17 -2.21 -0.20 0.00 0.52 0.00 0.00 34.95 32.89 1wha s ARG 75 CO 0.56 -1.00 1.57 1.25 0.02 0.00 0.00 175.30 177.70 1wha h HIS 76 N -0.42 -1.28 0.00 -0.53 -0.00 -1.74 -0.94 115.15 110.24 1wha h HIS 76 Ca -0.45 -0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 59.90 1wha h HIS 76 Cb 1.29 0.44 -0.00 0.00 -0.00 0.00 0.00 27.41 29.14 1wha h HIS 76 CO 0.40 -0.75 -0.02 -0.44 -0.00 0.00 0.00 177.93 177.12 1wha h ASP 77 N -1.27 0.00 0.34 3.26 5.19 -1.96 -1.42 116.42 120.56 1wha h ASP 77 Ca -0.12 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.27 1wha h ASP 77 Cb 1.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.51 1wha h ASP 77 CO 0.16 0.02 -0.16 -0.74 -3.12 0.00 0.00 179.24 175.40 1wha h HIS 78 N 0.00 -0.42 0.06 4.55 2.76 -1.83 -1.01 115.15 119.27 1wha h HIS 78 Ca -0.00 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1wha h HIS 78 Cb 0.03 0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.13 1wha h HIS 78 CO 0.00 -0.14 -0.03 0.00 -1.30 0.00 0.00 177.93 176.46 1wha h ALA 79 N -0.07 -0.09 -1.00 5.26 0.00 -0.87 -2.91 119.26 119.58 1wha h ALA 79 Ca -0.05 -0.09 0.14 0.00 0.00 0.00 0.00 54.91 54.92 1wha h ALA 79 Cb 0.47 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.20 1wha h ALA 79 CO 0.08 -0.47 0.63 0.28 0.00 0.00 0.00 179.25 179.76 1wha h VAL 80 N -0.24 0.86 -0.96 0.00 2.07 -1.31 -0.76 116.25 115.91 1wha h VAL 80 Ca -0.01 -0.32 0.28 0.00 0.82 0.00 0.00 66.70 67.48 1wha h VAL 80 Cb 0.21 -0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 29.79 1wha h VAL 80 CO 0.01 0.17 1.14 -1.28 0.02 0.00 0.00 177.57 177.63 1wha h SER 81 N 0.92 0.00 0.22 0.57 0.87 -0.96 1.96 113.55 117.13 1wha h SER 81 Ca 0.52 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.74 1wha h SER 81 Cb 0.62 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.52 1wha h SER 81 CO -0.30 0.00 -2.06 0.18 -0.53 0.00 0.00 176.83 174.12 1wha n LEU 82 N -3.29 0.98 -0.01 2.23 4.77 -0.29 -3.57 117.00 117.83 1wha n LEU 82 Ca 0.21 0.19 -0.11 0.00 -0.03 0.00 0.00 56.01 56.27 1wha n LEU 82 Cb 1.43 0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 42.46 1wha n LEU 82 CO 0.24 0.54 0.39 -0.07 -1.33 0.00 0.00 177.39 177.16 1wha h LEU 83 N 0.01 -0.08 -1.42 2.23 3.38 0.29 -3.24 115.31 116.48 1wha h LEU 83 Ca -0.43 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.00 1wha h LEU 83 Cb 2.09 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.86 1wha h LEU 83 CO 0.05 0.60 0.00 0.35 0.09 0.00 0.00 178.44 179.52 1wha n THR 84 N -4.80 0.51 1.21 0.22 -2.24 0.11 -4.03 114.28 105.27 1wha n THR 84 Ca -0.08 -0.27 0.08 0.00 -2.27 0.00 0.00 64.05 61.51 1wha n THR 84 Cb 0.30 -0.41 0.45 0.00 -2.10 0.00 0.00 70.33 68.57 1wha n THR 84 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wha n ALA 85 N 0.11 2.20 -2.83 6.98 0.00 -1.22 -4.83 120.51 120.91 1wha n ALA 85 Ca 0.05 -0.09 -0.12 0.00 0.00 0.00 0.00 53.44 53.28 1wha n ALA 85 Cb 0.41 -1.25 0.03 0.00 0.00 0.00 0.00 19.45 18.64 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 -0.89 -0.57 -2.80 0.00 0.00 -1.26 -5.03 120.51 109.98 1wha n ALA 86 Ca 0.11 0.17 -0.34 0.00 0.00 0.00 0.00 53.44 53.38 1wha n ALA 86 Cb 0.05 -2.59 -0.07 0.00 0.00 0.00 0.00 19.45 16.84 1wha n ALA 86 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wha s SER 87 N -3.00 5.82 0.10 0.00 0.15 -1.26 -5.03 113.70 110.48 1wha s SER 87 Ca 0.22 0.24 -0.15 0.00 0.70 0.00 0.00 55.95 56.97 1wha s SER 87 Cb -0.10 -1.74 -0.08 0.00 -1.71 0.00 0.00 66.02 62.39 1wha s SER 87 CO 0.27 0.33 1.42 1.55 1.20 0.00 0.00 173.24 178.01 1wha h PRO 88 N 4.53 0.71 -5.60 5.44 0.13 -1.94 -3.38 132.00 131.88 1wha h PRO 88 Ca -0.51 -0.37 -0.65 0.00 -0.87 0.00 0.00 66.00 63.60 1wha h PRO 88 Cb 1.20 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.20 1wha h PRO 88 CO 0.60 0.99 -0.57 0.95 -0.23 0.00 0.00 178.00 179.74 1wha s THR 89 N -4.36 4.76 -0.22 1.56 -4.23 -1.26 -2.30 115.64 109.59 1wha s THR 89 Ca -0.12 -0.06 -0.05 0.00 -1.18 0.00 0.00 61.69 60.28 1wha s THR 89 Cb 0.09 -3.08 0.08 0.00 1.34 0.00 0.00 72.50 70.92 1wha s THR 89 CO 0.83 0.55 0.11 -0.63 -0.54 0.00 0.00 174.62 174.93 1wha s ILE 90 N -0.37 -0.08 0.25 2.99 1.01 -1.23 -5.01 121.20 118.76 1wha s ILE 90 Ca 0.09 -0.40 -0.29 0.00 0.00 0.00 0.00 60.65 60.05 1wha s ILE 90 Cb -0.12 -0.73 -0.09 0.00 0.01 0.00 0.00 42.46 41.53 1wha s ILE 90 CO 0.02 -0.46 0.92 0.00 0.00 0.00 0.00 174.94 175.43 1wha s ALA 91 N 2.12 3.33 -0.06 9.38 0.00 -1.26 -3.75 121.76 131.52 1wha s ALA 91 Ca 0.05 0.57 -0.00 0.00 0.00 0.00 0.00 51.96 52.58 1wha s ALA 91 Cb -0.16 -3.18 0.03 0.00 0.00 0.00 0.00 23.12 19.81 1wha s ALA 91 CO -0.20 0.21 -0.02 -0.51 0.00 0.00 0.00 175.76 175.25 1wha s LEU 92 N -1.35 0.91 -0.46 0.00 1.43 -0.91 -1.42 118.68 116.87 1wha s LEU 92 Ca 0.42 -0.10 -0.16 0.00 -1.03 0.00 0.00 54.13 53.27 1wha s LEU 92 Cb -0.24 -0.43 0.06 0.00 0.03 0.00 0.00 46.19 45.61 1wha s LEU 92 CO 0.30 -0.14 0.39 -0.22 0.23 0.00 0.00 176.35 176.92 1wha s LEU 93 N 1.51 5.46 0.24 1.79 0.20 -1.02 -2.60 118.68 124.26 1wha s LEU 93 Ca -0.02 -1.20 -0.02 0.00 0.69 0.00 0.00 54.13 53.58 1wha s LEU 93 Cb -0.13 -2.20 -0.05 0.00 -0.43 0.00 0.00 46.19 43.38 1wha s LEU 93 CO -0.03 -0.62 0.45 -0.76 -0.29 0.00 0.00 176.35 175.10 1wha s LEU 94 N 1.73 4.16 -0.20 -0.68 1.43 -1.13 -0.57 118.68 123.43 1wha s LEU 94 Ca 0.05 0.52 0.00 0.00 -1.03 0.00 0.00 54.13 53.67 1wha s LEU 94 Cb -0.23 -3.31 0.05 0.00 0.03 0.00 0.00 46.19 42.73 1wha s LEU 94 CO 0.08 -0.11 -0.08 -0.70 0.23 0.00 0.00 176.35 175.77 1wha s GLU 95 N -3.43 1.79 -0.55 1.70 2.12 -1.11 -2.85 118.70 116.37 1wha s GLU 95 Ca 0.40 -0.78 -0.18 0.00 0.36 0.00 0.00 54.97 54.78 1wha s GLU 95 Cb -0.11 -2.34 0.10 0.00 0.26 0.00 0.00 34.13 32.04 1wha s GLU 95 CO 0.29 -0.46 0.61 0.50 -0.54 0.00 0.00 175.26 175.66 1wha s ARG 96 N 1.46 3.04 -0.29 4.30 3.52 -0.95 -4.39 118.95 125.64 1wha s ARG 96 Ca -0.02 -1.32 -0.29 0.00 -0.13 0.00 0.00 55.73 53.98 1wha s ARG 96 Cb -0.16 -4.22 0.01 0.00 -1.56 0.00 0.00 34.95 29.02 1wha s ARG 96 CO -0.08 -1.37 1.04 -1.21 -0.81 0.00 0.00 175.30 172.88 1wha s GLU 97 N 2.31 4.12 -0.04 5.12 2.02 -1.26 -1.47 118.70 129.49 1wha s GLU 97 Ca 0.09 1.12 0.02 0.00 0.02 0.00 0.00 54.97 56.22 1wha s GLU 97 Cb -0.24 -3.71 0.13 0.00 0.10 0.00 0.00 34.13 30.41 1wha s GLU 97 CO 0.07 -0.80 0.76 0.00 0.02 0.00 0.00 175.26 175.30 1wha n ALA 98 N 6.65 2.76 0.00 5.21 0.00 -1.26 -4.90 120.51 128.97 1wha n ALA 98 Ca 0.11 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1wha n ALA 98 Cb 0.47 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.89 1wha n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wha n GLY 99 N 0.12 2.46 3.24 0.00 0.00 -1.26 -4.85 105.19 104.90 1wha n GLY 99 Ca 0.05 -1.38 -0.35 0.00 0.00 0.00 0.00 46.02 44.34 1wha n GLY 99 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wha s SER 100 N 0.00 4.15 0.18 1.61 0.15 -1.26 -4.99 113.70 113.54 1wha s SER 100 Ca 0.00 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 56.01 1wha s SER 100 Cb 0.00 -1.67 0.00 0.00 -1.71 0.00 0.00 66.02 62.64 1wha s SER 100 CO 0.00 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 174.98 1wha n GLY 101 N 4.72 -0.78 3.61 9.45 0.00 -1.26 -4.90 105.19 116.03 1wha n GLY 101 Ca -0.18 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 1wha n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wha s PRO 102 N 0.00 -0.99 0.01 1.61 0.04 -1.26 -5.03 135.00 129.38 1wha s PRO 102 Ca 0.00 0.01 -0.16 0.00 0.04 0.00 0.00 61.00 60.89 1wha s PRO 102 Cb 0.00 -1.62 -0.06 0.00 0.04 0.00 0.00 34.50 32.87 1wha s PRO 102 CO 0.00 -3.57 0.46 -1.54 0.04 0.00 0.00 177.00 172.39 1wha s SER 103 N -3.83 6.87 -0.63 6.66 1.04 -1.26 -4.33 113.70 118.21 1wha s SER 103 Ca 0.70 1.03 -0.01 0.00 0.48 0.00 0.00 55.95 58.15 1wha s SER 103 Cb -0.11 -2.29 -0.02 0.00 0.10 0.00 0.00 66.02 63.71 1wha s SER 103 CO 0.56 0.27 0.54 -0.24 0.98 0.00 0.00 173.24 175.35 1wha n SER 104 N 2.04 -3.09 0.00 7.02 2.88 -1.26 -5.24 113.62 115.97 1wha n SER 104 Ca -0.12 -0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.05 1wha n SER 104 Cb 0.52 -3.10 0.00 0.00 -0.75 0.00 0.00 64.21 60.88 1wha n SER 104 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42