#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 1.27 -2.52 1.61 2.88 -1.26 -5.03 113.62 110.57 1wha n SER 2 Ca 0.00 0.20 -0.18 0.00 -1.33 0.00 0.00 58.87 57.55 1wha n SER 2 Cb 0.00 -0.46 0.03 0.00 -0.75 0.00 0.00 64.21 63.03 1wha n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wha n SER 3 N -3.79 -5.31 0.00 -3.46 2.88 -1.26 -4.97 113.62 97.72 1wha n SER 3 Ca -0.11 -0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.18 1wha n SER 3 Cb 0.36 -4.13 0.00 0.00 -0.75 0.00 0.00 64.21 59.68 1wha n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wha n GLY 4 N -1.40 -0.02 3.32 0.46 0.00 -1.26 -4.84 105.19 101.44 1wha n GLY 4 Ca -0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 1wha n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wha s SER 5 N -1.00 -0.30 0.96 1.61 0.15 -1.26 -4.75 113.70 109.11 1wha s SER 5 Ca 0.00 0.17 -0.14 0.00 0.70 0.00 0.00 55.95 56.67 1wha s SER 5 Cb 0.00 0.39 0.10 0.00 -1.71 0.00 0.00 66.02 64.80 1wha s SER 5 CO 0.00 -0.55 0.01 -1.20 1.20 0.00 0.00 173.24 172.70 1wha n SER 6 N 0.95 -2.77 -3.16 5.45 7.64 -1.26 -4.50 113.62 115.96 1wha n SER 6 Ca -0.20 -0.25 0.04 0.00 1.01 0.00 0.00 58.87 59.47 1wha n SER 6 Cb 0.57 -0.73 -0.01 0.00 -1.01 0.00 0.00 64.21 63.03 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 -1.72 -0.70 0.03 0.23 0.00 -0.13 -4.90 107.32 100.13 1wha s GLY 7 Ca 0.35 2.28 -0.30 0.00 0.00 0.00 0.00 44.72 47.05 1wha s GLY 7 CO 0.39 3.56 1.00 0.50 0.00 0.00 0.00 173.10 178.54 1wha s ARG 8 N 2.89 4.58 0.19 2.90 0.52 -1.26 -2.95 118.95 125.82 1wha s ARG 8 Ca 0.11 1.46 -0.01 0.00 -0.52 0.00 0.00 55.73 56.77 1wha s ARG 8 Cb -0.13 -3.43 -0.04 0.00 0.52 0.00 0.00 34.95 31.87 1wha s ARG 8 CO -0.17 -0.01 0.10 -3.38 0.02 0.00 0.00 175.30 171.87 1wha s HIS 9 N 0.79 1.13 0.07 -0.53 -3.43 -1.04 -5.00 115.29 107.27 1wha s HIS 9 Ca 0.51 -1.31 0.10 0.00 -0.80 0.00 0.00 55.06 53.56 1wha s HIS 9 Cb -0.22 -0.58 -0.03 0.00 -1.43 0.00 0.00 32.58 30.31 1wha s HIS 9 CO 0.29 -0.56 -0.26 0.54 -2.00 0.00 0.00 174.74 172.74 1wha s VAL 10 N -4.07 2.18 -0.10 -5.38 0.11 -1.26 -1.50 120.40 110.39 1wha s VAL 10 Ca 0.35 -1.48 0.03 0.00 -2.93 0.00 0.00 61.98 57.95 1wha s VAL 10 Cb 0.07 -1.88 -0.01 0.00 -1.53 0.00 0.00 36.38 33.03 1wha s VAL 10 CO 0.09 0.30 -0.21 0.00 -3.33 0.00 0.00 175.10 171.96 1wha s ALA 11 N -0.87 2.33 -0.19 1.54 0.00 -0.62 -4.87 121.76 119.08 1wha s ALA 11 Ca 0.12 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1wha s ALA 11 Cb -0.10 -0.90 0.04 0.00 0.00 0.00 0.00 23.12 22.16 1wha s ALA 11 CO 0.03 0.33 -0.08 0.00 0.00 0.00 0.00 175.76 176.04 1wha s LEU 13 N 1.49 2.26 -0.42 0.00 1.43 -1.24 -4.94 118.68 117.26 1wha s LEU 13 Ca -0.01 -1.44 -0.20 0.00 -1.03 0.00 0.00 54.13 51.45 1wha s LEU 13 Cb -0.16 -0.44 0.02 0.00 0.03 0.00 0.00 46.19 45.64 1wha s LEU 13 CO -0.08 -0.65 0.58 0.00 0.23 0.00 0.00 176.35 176.43 1wha s ALA 14 N -3.17 3.38 0.30 4.21 0.00 -1.25 -3.59 121.76 121.65 1wha s ALA 14 Ca 0.32 -1.24 -0.27 0.00 0.00 0.00 0.00 51.96 50.76 1wha s ALA 14 Cb 0.07 -3.21 -0.09 0.00 0.00 0.00 0.00 23.12 19.89 1wha s ALA 14 CO 0.15 -1.66 0.97 0.50 0.00 0.00 0.00 175.76 175.72 1wha s ARG 15 N 2.62 4.63 0.04 0.00 3.52 -0.90 -4.83 118.95 124.02 1wha s ARG 15 Ca 0.20 1.46 0.02 0.00 -0.13 0.00 0.00 55.73 57.27 1wha s ARG 15 Cb -0.15 -2.97 -0.02 0.00 -1.56 0.00 0.00 34.95 30.25 1wha s ARG 15 CO 0.17 0.30 -0.07 -1.54 -0.81 0.00 0.00 175.30 173.35 1wha s SER 16 N -1.38 0.71 0.40 -2.12 1.04 -1.26 -4.72 113.70 106.36 1wha s SER 16 Ca 0.47 -0.52 0.16 0.00 0.48 0.00 0.00 55.95 56.54 1wha s SER 16 Cb -0.23 0.05 1.03 0.00 0.10 0.00 0.00 66.02 66.97 1wha s SER 16 CO 0.29 -0.22 1.84 1.05 0.98 0.00 0.00 173.24 177.18 1wha h GLU 17 N 4.58 0.45 0.00 4.02 4.11 -2.00 0.48 114.58 126.23 1wha h GLU 17 Ca -0.35 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.05 1wha h GLU 17 Cb 1.20 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 1wha h GLU 17 CO 0.41 0.30 -0.04 0.00 0.07 0.00 0.00 179.01 179.75 1wha h ARG 18 N 0.46 0.00 0.00 1.06 2.47 -2.02 -3.46 114.38 112.89 1wha h ARG 18 Ca 0.50 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.22 1wha h ARG 18 Cb 1.15 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 1wha h ARG 18 CO -0.21 0.04 0.00 0.41 0.56 0.00 0.00 179.97 180.76 1wha n GLY 19 N -1.11 3.04 0.31 0.04 0.00 0.17 -4.97 105.19 102.68 1wha n GLY 19 Ca -0.03 -0.89 -0.08 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.78 0.00 0.99 4.77 -1.24 -4.70 117.00 116.04 1wha n LEU 20 Ca 0.00 1.36 0.00 0.00 -0.03 0.00 0.00 56.01 57.34 1wha n LEU 20 Cb 0.00 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1wha n LEU 20 CO 0.00 -1.09 0.00 0.61 -1.33 0.00 0.00 177.39 175.58 1wha n GLY 21 N -1.18 1.78 3.81 -0.72 0.00 -1.26 -4.81 105.19 102.81 1wha n GLY 21 Ca 0.01 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 3.15 0.47 1.61 -0.12 -1.26 -3.44 117.98 118.39 1wha s PHE 22 Ca 0.00 1.58 0.05 0.00 -0.05 0.00 0.00 56.93 58.51 1wha s PHE 22 Cb 0.00 -2.96 -0.02 0.00 -0.63 0.00 0.00 43.02 39.41 1wha s PHE 22 CO 0.00 -0.52 0.16 0.45 -0.05 0.00 0.00 175.22 175.26 1wha s SER 23 N -2.18 4.33 0.15 1.98 0.15 -0.22 -4.94 113.70 112.97 1wha s SER 23 Ca 0.64 -1.31 0.07 0.00 0.70 0.00 0.00 55.95 56.05 1wha s SER 23 Cb -0.13 0.00 -0.04 0.00 -1.71 0.00 0.00 66.02 64.14 1wha s SER 23 CO 0.19 -0.74 -0.15 0.27 1.20 0.00 0.00 173.24 174.01 1wha s ILE 24 N -2.73 1.51 0.00 6.45 -4.36 -1.26 -3.52 121.20 117.29 1wha s ILE 24 Ca 0.29 -1.92 -0.11 0.00 -0.26 0.00 0.00 60.65 58.65 1wha s ILE 24 Cb 0.03 -1.76 0.01 0.00 1.25 0.00 0.00 42.46 41.98 1wha s ILE 24 CO 0.16 -0.48 0.21 0.00 0.24 0.00 0.00 174.94 175.08 1wha s ALA 25 N -2.47 -0.51 0.00 2.27 0.00 -0.12 -4.73 121.76 116.19 1wha s ALA 25 Ca 0.15 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.14 1wha s ALA 25 Cb -0.03 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.21 1wha s ALA 25 CO 0.04 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.97 1wha n GLY 26 N 1.29 1.02 5.35 0.00 0.00 -0.83 -1.21 105.19 110.81 1wha n GLY 26 Ca -0.22 -1.08 0.01 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.33 0.13 -0.02 0.00 0.17 -3.66 105.19 101.47 1wha n GLY 27 Ca 0.00 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.83 0.69 -0.46 1.61 5.02 -1.26 -4.23 118.16 118.70 1wha n LYS 28 Ca 0.00 0.34 -0.02 0.00 -2.02 0.00 0.00 58.31 56.61 1wha n LYS 28 Cb 0.05 -1.69 0.01 0.00 -0.02 0.00 0.00 35.03 33.37 1wha n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wha n GLY 29 N 1.84 2.59 3.17 0.72 0.00 -1.26 -4.81 105.19 107.43 1wha n GLY 29 Ca -0.34 -0.11 -0.03 0.00 0.00 0.00 0.00 46.02 45.53 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 1.20 -1.52 -4.75 1.61 2.88 -1.24 -4.83 113.62 106.96 1wha n SER 30 Ca 0.03 -1.86 -0.40 0.00 -1.33 0.00 0.00 58.87 55.32 1wha n SER 30 Cb 0.52 2.49 -0.05 0.00 -0.75 0.00 0.00 64.21 66.41 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 -2.17 3.93 -0.91 2.46 2.01 -1.25 -4.79 115.64 114.92 1wha s THR 31 Ca 0.18 1.89 -0.24 0.00 0.31 0.00 0.00 61.69 63.82 1wha s THR 31 Cb -0.03 -4.20 -0.05 0.00 0.01 0.00 0.00 72.50 68.23 1wha s THR 31 CO 0.06 0.43 1.95 -2.16 -0.69 0.00 0.00 174.62 174.20 1wha s PRO 32 N -1.08 2.55 0.48 4.92 0.04 -1.26 -1.97 135.00 138.68 1wha s PRO 32 Ca 0.43 -0.32 0.43 0.00 0.04 0.00 0.00 61.00 61.58 1wha s PRO 32 Cb -0.28 -5.07 1.50 0.00 0.04 0.00 0.00 34.50 30.70 1wha s PRO 32 CO 0.34 -3.40 1.36 0.98 0.04 0.00 0.00 177.00 176.33 1wha n TYR 33 N 13.99 0.04 -3.93 0.56 9.36 -1.26 -3.48 117.16 132.43 1wha n TYR 33 Ca 0.40 0.04 -0.29 0.00 3.32 0.00 0.00 57.90 61.36 1wha n TYR 33 Cb 0.47 -0.47 -0.16 0.00 -0.63 0.00 0.00 39.34 38.55 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 -4.63 1.67 -0.25 2.98 1.81 -1.26 -5.04 118.95 114.22 1wha s ARG 34 Ca -0.04 -0.74 -0.41 0.00 -1.72 0.00 0.00 55.73 52.81 1wha s ARG 34 Cb 0.24 -2.29 -0.17 0.00 -0.45 0.00 0.00 34.95 32.27 1wha s ARG 34 CO 0.77 -0.47 1.58 0.00 -0.68 0.00 0.00 175.30 176.50 1wha n ALA 35 N 4.77 -0.94 -2.47 2.13 0.00 -1.23 -0.67 120.51 122.10 1wha n ALA 35 Ca -0.13 0.46 -0.05 0.00 0.00 0.00 0.00 53.44 53.72 1wha n ALA 35 Cb 0.46 -2.08 0.01 0.00 0.00 0.00 0.00 19.45 17.84 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 3.63 0.44 2.91 0.00 0.00 -1.26 -5.05 105.19 105.86 1wha n GLY 36 Ca 0.26 -0.56 -0.15 0.00 0.00 0.00 0.00 46.02 45.57 1wha n GLY 36 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wha s ASP 37 N -2.95 0.29 -0.57 1.61 -1.08 0.16 -5.03 116.67 109.08 1wha s ASP 37 Ca 0.08 0.37 0.01 0.00 -0.52 0.00 0.00 52.55 52.48 1wha s ASP 37 Cb -0.03 0.30 0.51 0.00 -1.46 0.00 0.00 42.92 42.24 1wha s ASP 37 CO 0.09 -0.20 1.93 0.00 0.52 0.00 0.00 175.17 177.51 1wha n ALA 38 N 4.81 6.00 -2.35 3.66 0.00 -1.26 -4.62 120.51 126.73 1wha n ALA 38 Ca -0.15 -3.35 0.00 0.00 0.00 0.00 0.00 53.44 49.94 1wha n ALA 38 Cb 0.51 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 -0.97 3.53 2.91 0.00 0.00 -1.26 -4.61 105.19 104.79 1wha n GLY 39 Ca 0.60 -1.96 -0.15 0.00 0.00 0.00 0.00 46.02 44.51 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 2.13 -0.30 0.27 -0.61 1.01 -1.26 0.42 121.20 122.86 1wha s ILE 40 Ca 0.00 0.31 0.08 0.00 0.00 0.00 0.00 60.65 61.04 1wha s ILE 40 Cb 0.00 -0.35 -0.06 0.00 0.01 0.00 0.00 42.46 42.06 1wha s ILE 40 CO 0.00 0.13 -0.10 -0.36 0.00 0.00 0.00 174.94 174.61 1wha s PHE 41 N 2.25 2.02 -0.18 3.97 0.40 -0.35 0.00 117.98 126.10 1wha s PHE 41 Ca 0.01 -0.59 -0.29 0.00 -0.60 0.00 0.00 56.93 55.46 1wha s PHE 41 Cb -0.12 -1.07 -0.01 0.00 0.51 0.00 0.00 43.02 42.33 1wha s PHE 41 CO -0.07 0.41 1.26 0.08 0.70 0.00 0.00 175.22 177.60 1wha s VAL 42 N -2.87 4.28 -0.11 -0.44 1.01 -1.03 -0.95 120.40 120.30 1wha s VAL 42 Ca 0.29 1.54 0.08 0.00 0.00 0.00 0.00 61.98 63.89 1wha s VAL 42 Cb 0.01 -4.02 -0.24 0.00 0.00 0.00 0.00 36.38 32.14 1wha s VAL 42 CO 0.12 -0.16 0.42 -0.24 0.00 0.00 0.00 175.10 175.23 1wha n SER 43 N 6.68 1.13 -3.91 3.32 2.88 -1.23 -1.58 113.62 120.92 1wha n SER 43 Ca 0.14 0.25 -0.10 0.00 -1.33 0.00 0.00 58.87 57.83 1wha n SER 43 Cb 0.45 -0.12 -0.09 0.00 -0.75 0.00 0.00 64.21 63.70 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 -2.56 0.59 -0.01 -1.46 6.06 -1.26 -4.95 118.95 115.36 1wha s ARG 44 Ca -0.12 -0.70 0.02 0.00 -2.50 0.00 0.00 55.73 52.42 1wha s ARG 44 Cb 0.07 0.23 -0.00 0.00 0.06 0.00 0.00 34.95 35.32 1wha s ARG 44 CO 0.79 -0.15 -0.05 0.42 -2.50 0.00 0.00 175.30 173.81 1wha s ILE 45 N -2.48 0.43 -0.59 4.11 1.01 -1.26 -1.06 121.20 121.36 1wha s ILE 45 Ca -0.06 -0.22 -0.26 0.00 0.00 0.00 0.00 60.65 60.10 1wha s ILE 45 Cb -0.02 -0.37 -0.10 0.00 0.01 0.00 0.00 42.46 41.98 1wha s ILE 45 CO -0.04 0.13 2.45 0.00 0.00 0.00 0.00 174.94 177.48 1wha n ALA 46 N 3.01 0.68 -1.82 9.38 0.00 -1.22 -4.86 120.51 125.67 1wha n ALA 46 Ca -0.14 -0.92 -0.42 0.00 0.00 0.00 0.00 53.44 51.97 1wha n ALA 46 Cb 0.58 -3.10 -0.03 0.00 0.00 0.00 0.00 19.45 16.90 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 8.43 4.17 0.00 0.00 2.12 -1.26 -1.80 118.70 130.36 1wha s GLU 47 Ca 1.03 2.47 0.00 0.00 0.36 0.00 0.00 54.97 58.82 1wha s GLU 47 Cb -0.31 -3.51 0.00 0.00 0.26 0.00 0.00 34.13 30.58 1wha s GLU 47 CO 0.27 -0.77 0.00 0.41 -0.54 0.00 0.00 175.26 174.64 1wha n GLY 48 N 4.07 2.80 0.00 -1.50 0.00 -1.26 -4.97 105.19 104.33 1wha n GLY 48 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.03 -1.38 0.18 -0.02 0.00 -0.74 -4.50 105.19 97.70 1wha n GLY 49 Ca 0.00 -1.55 -0.13 0.00 0.00 0.00 0.00 46.02 44.35 1wha n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wha h ALA 50 N -2.00 -0.35 -1.19 4.61 0.00 -1.89 0.24 119.26 118.68 1wha h ALA 50 Ca 0.00 -0.19 0.36 0.00 0.00 0.00 0.00 54.91 55.07 1wha h ALA 50 Cb 0.00 0.13 -0.11 0.00 0.00 0.00 0.00 17.79 17.82 1wha h ALA 50 CO 0.00 -0.49 0.77 0.00 0.00 0.00 0.00 179.25 179.54 1wha h ALA 51 N -0.20 2.53 0.00 0.00 0.00 -1.87 0.12 119.26 119.84 1wha h ALA 51 Ca -0.04 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1wha h ALA 51 Cb 0.50 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1wha h ALA 51 CO 0.06 -1.05 -0.18 1.25 0.00 0.00 0.00 179.25 179.33 1wha h HIS 52 N 0.22 0.00 -0.95 0.00 6.17 -1.43 -3.29 115.15 115.86 1wha h HIS 52 Ca 0.71 0.00 0.17 0.00 0.71 0.00 0.00 60.37 61.96 1wha h HIS 52 Cb 2.09 0.00 -0.17 0.00 2.52 0.00 0.00 27.41 31.85 1wha h HIS 52 CO -0.00 0.00 -0.30 -2.13 0.71 0.00 0.00 177.93 176.20 1wha n ARG 53 N -3.43 -0.15 -0.09 5.26 0.00 0.84 0.40 116.66 119.49 1wha n ARG 53 Ca -0.02 1.47 -0.06 0.00 -0.00 0.00 0.00 57.85 59.23 1wha n ARG 53 Cb 0.09 -2.18 0.00 0.00 0.00 0.00 0.00 32.46 30.37 1wha n ARG 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wha h ALA 54 N 1.60 0.19 0.00 5.13 0.00 -0.97 -3.46 119.26 121.75 1wha h ALA 54 Ca 0.39 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1wha h ALA 54 Cb 0.63 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1wha h ALA 54 CO -0.96 -0.48 0.00 0.41 0.00 0.00 0.00 179.25 178.22 1wha n GLY 55 N -1.29 2.46 0.43 0.00 0.00 0.16 -4.83 105.19 102.13 1wha n GLY 55 Ca 0.01 -0.32 0.17 0.00 0.00 0.00 0.00 46.02 45.88 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 0.04 -3.63 2.61 1.03 -1.85 -3.33 112.91 107.78 1wha h THR 56 Ca 0.00 0.00 -0.64 0.00 -0.01 0.00 0.00 66.41 65.76 1wha h THR 56 Cb 0.00 0.14 -0.21 0.00 -1.07 0.00 0.00 68.15 67.01 1wha h THR 56 CO 0.00 0.00 -0.60 -0.76 -0.01 0.00 0.00 175.52 174.15 1wha s LEU 57 N -6.05 3.57 0.02 0.00 1.43 -1.26 -4.99 118.68 111.40 1wha s LEU 57 Ca -0.02 -0.14 0.06 0.00 -1.03 0.00 0.00 54.13 53.00 1wha s LEU 57 Cb 0.09 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 1wha s LEU 57 CO 0.31 -0.01 -0.17 -1.10 0.23 0.00 0.00 176.35 175.62 1wha s GLN 58 N 1.45 1.21 -0.52 1.70 1.11 -1.25 -4.82 119.66 118.53 1wha s GLN 58 Ca 0.06 -0.76 -0.27 0.00 0.01 0.00 0.00 55.36 54.39 1wha s GLN 58 Cb -0.15 -1.24 -0.03 0.00 -1.01 0.00 0.00 33.01 30.59 1wha s GLN 58 CO 0.04 0.32 1.94 0.08 0.01 0.00 0.00 175.29 177.68 1wha s VAL 59 N -0.69 3.32 0.00 1.09 1.01 -1.26 -2.60 120.40 121.28 1wha s VAL 59 Ca 0.05 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1wha s VAL 59 Cb -0.08 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1wha s VAL 59 CO 0.01 -0.64 0.00 0.61 0.00 0.00 0.00 175.10 175.08 1wha n GLY 60 N 5.68 2.76 3.63 4.51 0.00 -0.61 -4.95 105.19 116.21 1wha n GLY 60 Ca 0.24 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 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 1.20 -4.89 1.61 9.92 -1.07 -4.60 116.55 118.73 1wha n ASP 61 Ca 0.00 0.89 -0.35 0.00 -0.53 0.00 0.00 54.79 54.81 1wha n ASP 61 Cb 0.00 -1.41 -0.05 0.00 -0.64 0.00 0.00 41.12 39.02 1wha n ASP 61 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1wha s ARG 62 N -2.58 3.56 -0.52 -1.24 3.52 -1.26 -2.46 118.95 117.98 1wha s ARG 62 Ca 0.72 -0.10 -0.19 0.00 -0.13 0.00 0.00 55.73 56.03 1wha s ARG 62 Cb -0.45 -3.09 0.07 0.00 -1.56 0.00 0.00 34.95 29.92 1wha s ARG 62 CO 0.50 0.66 0.61 0.08 -0.81 0.00 0.00 175.30 176.34 1wha s VAL 63 N -1.29 4.91 0.01 7.11 1.01 0.10 -2.96 120.40 129.29 1wha s VAL 63 Ca 0.27 -0.64 -0.20 0.00 0.00 0.00 0.00 61.98 61.41 1wha s VAL 63 Cb -0.13 -4.31 -0.19 0.00 0.00 0.00 0.00 36.38 31.75 1wha s VAL 63 CO 0.16 -0.83 1.20 -0.07 0.00 0.00 0.00 175.10 175.55 1wha h LEU 64 N 9.63 0.44 -7.52 3.92 3.38 -1.42 -3.38 115.31 120.37 1wha h LEU 64 Ca -0.28 -0.64 -0.07 0.00 0.09 0.00 0.00 57.88 56.98 1wha h LEU 64 Cb 1.10 -0.13 -0.15 0.00 0.09 0.00 0.00 40.66 41.57 1wha h LEU 64 CO 0.98 1.01 -0.18 -0.94 0.09 0.00 0.00 178.44 179.39 1wha s SER 65 N -6.43 -0.14 -0.07 -0.43 1.04 -1.24 -1.08 113.70 105.35 1wha s SER 65 Ca -0.14 -0.32 0.02 0.00 0.48 0.00 0.00 55.95 55.99 1wha s SER 65 Cb 0.04 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.59 1wha s SER 65 CO 0.78 -0.75 -0.10 -0.63 0.98 0.00 0.00 173.24 173.53 1wha s ILE 66 N -3.35 1.00 -1.48 -1.02 1.01 0.47 -1.43 121.20 116.39 1wha s ILE 66 Ca 0.00 -0.38 -0.15 0.00 0.00 0.00 0.00 60.65 60.13 1wha s ILE 66 Cb 0.02 -0.94 0.13 0.00 0.01 0.00 0.00 42.46 41.68 1wha s ILE 66 CO -0.08 0.33 0.63 -3.20 0.00 0.00 0.00 174.94 172.61 1wha n ASN 67 N 4.03 -3.14 -1.14 3.58 2.85 0.48 -1.10 115.26 120.82 1wha n ASN 67 Ca -0.22 -0.74 -0.02 0.00 -0.11 0.00 0.00 54.58 53.49 1wha n ASN 67 Cb 0.51 -2.61 0.01 0.00 1.24 0.00 0.00 39.78 38.93 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 -1.22 0.48 2.98 8.20 0.00 -1.26 -4.96 105.19 109.41 1wha n GLY 68 Ca 0.05 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.04 -0.49 -0.23 1.61 1.01 -0.26 -5.11 120.40 113.90 1wha s VAL 69 Ca 0.02 0.09 -0.28 0.00 0.00 0.00 0.00 61.98 61.80 1wha s VAL 69 Cb -0.01 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 1wha s VAL 69 CO 0.08 -0.02 2.04 -0.62 0.00 0.00 0.00 175.10 176.58 1wha s ASP 70 N 2.47 5.71 -0.20 3.32 2.15 -1.26 -0.40 116.67 128.46 1wha s ASP 70 Ca 0.05 1.77 0.13 0.00 0.43 0.00 0.00 52.55 54.93 1wha s ASP 70 Cb -0.14 -2.52 0.41 0.00 -0.30 0.00 0.00 42.92 40.38 1wha s ASP 70 CO -0.12 -1.77 1.27 1.33 -0.17 0.00 0.00 175.17 175.70 1wha n VAL 71 N 7.40 2.19 -0.14 1.11 0.24 -0.24 -4.73 118.33 124.17 1wha n VAL 71 Ca 0.26 -2.75 0.04 0.00 -2.04 0.00 0.00 64.34 59.85 1wha n VAL 71 Cb 0.45 -0.26 0.34 0.00 -1.47 0.00 0.00 33.84 32.91 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 0.79 1.10 0.00 3.34 1.35 -1.69 -2.85 112.91 114.94 1wha h THR 72 Ca 0.04 -0.27 -0.03 0.00 -0.55 0.00 0.00 66.41 65.61 1wha h THR 72 Cb 1.17 0.25 -0.06 0.00 -1.73 0.00 0.00 68.15 67.78 1wha h THR 72 CO 0.10 0.14 -0.43 -0.62 -0.25 0.00 0.00 175.52 174.46 1wha n GLU 73 N -4.46 1.07 -2.70 4.72 -0.58 -1.26 -4.38 120.64 113.05 1wha n GLU 73 Ca 0.08 -2.62 -0.32 0.00 -0.42 0.00 0.00 57.16 53.88 1wha n GLU 73 Cb 0.11 -1.21 -0.04 0.00 -0.57 0.00 0.00 31.44 29.74 1wha n GLU 73 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wha s ALA 74 N -2.26 3.19 0.62 0.62 0.00 -1.08 -5.01 121.76 117.84 1wha s ALA 74 Ca 0.31 0.07 -0.15 0.00 0.00 0.00 0.00 51.96 52.19 1wha s ALA 74 Cb 0.30 -2.94 -0.02 0.00 0.00 0.00 0.00 23.12 20.46 1wha s ALA 74 CO -0.05 -0.04 1.07 1.03 0.00 0.00 0.00 175.76 177.78 1wha s ARG 75 N -3.73 3.11 0.13 0.00 0.52 -1.26 -4.26 118.95 113.45 1wha s ARG 75 Ca 0.56 1.24 -0.33 0.00 -0.52 0.00 0.00 55.73 56.68 1wha s ARG 75 Cb -0.10 -2.00 -0.11 0.00 0.52 0.00 0.00 34.95 33.26 1wha s ARG 75 CO 0.27 -0.98 1.55 1.25 0.02 0.00 0.00 175.30 177.41 1wha h HIS 76 N 0.19 -1.65 -0.95 -0.53 -0.00 -1.86 0.06 115.15 110.41 1wha h HIS 76 Ca -0.46 0.07 0.03 0.00 -0.00 0.00 0.00 60.37 60.01 1wha h HIS 76 Cb 1.23 0.76 -0.05 0.00 -0.00 0.00 0.00 27.41 29.34 1wha h HIS 76 CO 0.58 -0.51 0.62 -0.44 -0.00 0.00 0.00 177.93 178.18 1wha h ASP 77 N -0.47 1.05 -0.04 3.26 5.19 -1.93 -2.54 116.42 120.94 1wha h ASP 77 Ca 0.06 -0.02 0.04 0.00 -0.62 0.00 0.00 57.03 56.49 1wha h ASP 77 Cb 0.63 -0.25 -0.05 0.00 0.18 0.00 0.00 39.33 39.84 1wha h ASP 77 CO -0.53 0.74 -0.31 -0.74 -3.12 0.00 0.00 179.24 175.27 1wha h HIS 78 N 1.23 -0.87 -0.40 4.55 2.76 -1.50 -1.21 115.15 119.72 1wha h HIS 78 Ca 0.37 0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.63 1wha h HIS 78 Cb -0.05 0.39 -0.05 0.00 1.55 0.00 0.00 27.41 29.25 1wha h HIS 78 CO -0.01 -0.40 0.10 0.00 -1.30 0.00 0.00 177.93 176.32 1wha h ALA 79 N 0.32 0.44 -0.94 5.26 0.00 -0.80 -1.56 119.26 121.98 1wha h ALA 79 Ca 0.07 0.07 0.15 0.00 0.00 0.00 0.00 54.91 55.20 1wha h ALA 79 Cb 0.55 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.34 1wha h ALA 79 CO -0.29 -0.30 0.60 0.28 0.00 0.00 0.00 179.25 179.54 1wha h VAL 80 N 0.23 0.82 -1.67 0.00 2.07 -1.01 -0.94 116.25 115.76 1wha h VAL 80 Ca 0.19 -0.26 0.50 0.00 0.82 0.00 0.00 66.70 67.94 1wha h VAL 80 Cb 0.21 -0.01 -0.09 0.00 -1.52 0.00 0.00 31.29 29.88 1wha h VAL 80 CO -0.23 0.14 1.17 -1.28 0.02 0.00 0.00 177.57 177.39 1wha h SER 81 N 0.76 0.07 0.66 0.57 0.87 -0.17 1.98 113.55 118.29 1wha h SER 81 Ca 0.49 0.04 -0.25 0.00 -1.23 0.00 0.00 61.79 60.83 1wha h SER 81 Cb 0.72 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.68 1wha h SER 81 CO -0.25 -0.05 -1.48 -0.07 -0.53 0.00 0.00 176.83 174.45 1wha h LEU 82 N 0.02 0.00 0.15 2.23 3.38 -1.29 -3.24 115.31 116.56 1wha h LEU 82 Ca 0.85 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.81 1wha h LEU 82 Cb 3.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.96 1wha h LEU 82 CO -0.12 0.93 -0.07 -0.07 0.09 0.00 0.00 178.44 179.20 1wha h LEU 83 N 0.00 -0.17 -2.89 1.67 3.38 0.30 -3.20 115.31 114.40 1wha h LEU 83 Ca -0.20 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1wha h LEU 83 Cb 1.89 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.68 1wha h LEU 83 CO 0.09 0.40 0.01 0.71 0.09 0.00 0.00 178.44 179.74 1wha h THR 84 N -0.91 0.00 -1.87 0.22 1.35 -0.75 -3.45 112.91 107.51 1wha h THR 84 Ca -0.02 0.00 -0.53 0.00 -0.55 0.00 0.00 66.41 65.31 1wha h THR 84 Cb 0.51 0.96 0.21 0.00 -1.73 0.00 0.00 68.15 68.10 1wha h THR 84 CO 0.03 0.00 -1.61 0.00 -0.25 0.00 0.00 175.52 173.69 1wha n ALA 85 N -2.06 -4.84 -2.97 6.62 0.00 -1.21 -4.83 120.51 111.22 1wha n ALA 85 Ca -0.03 -0.52 -0.43 0.00 0.00 0.00 0.00 53.44 52.46 1wha n ALA 85 Cb 0.08 -1.12 0.01 0.00 0.00 0.00 0.00 19.45 18.42 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 -2.15 5.12 -3.02 0.00 0.00 -1.26 -4.97 120.51 114.24 1wha n ALA 86 Ca 0.00 -4.75 -0.13 0.00 0.00 0.00 0.00 53.44 48.56 1wha n ALA 86 Cb 0.51 -2.42 -0.14 0.00 0.00 0.00 0.00 19.45 17.39 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 -1.29 0.10 0.27 0.00 0.01 -1.26 -5.04 113.70 106.49 1wha s SER 87 Ca 0.32 -0.01 0.05 0.00 1.31 0.00 0.00 55.95 57.62 1wha s SER 87 Cb 0.04 -0.03 0.37 0.00 0.21 0.00 0.00 66.02 66.61 1wha s SER 87 CO 0.08 -0.01 1.65 1.55 0.41 0.00 0.00 173.24 176.92 1wha h PRO 88 N 6.34 0.28 -5.39 12.44 0.13 -1.92 -3.39 132.00 140.48 1wha h PRO 88 Ca -0.28 -0.15 -0.63 0.00 -0.87 0.00 0.00 66.00 64.07 1wha h PRO 88 Cb 1.19 0.01 -0.18 0.00 0.13 0.00 0.00 31.00 32.15 1wha h PRO 88 CO 0.50 0.69 -0.61 0.95 -0.23 0.00 0.00 178.00 179.30 1wha s THR 89 N -4.06 4.37 -0.05 1.56 -4.23 -1.26 -2.12 115.64 109.84 1wha s THR 89 Ca -0.05 -0.19 -0.00 0.00 -1.18 0.00 0.00 61.69 60.27 1wha s THR 89 Cb 0.13 -2.93 0.03 0.00 1.34 0.00 0.00 72.50 71.07 1wha s THR 89 CO 0.79 0.50 -0.01 -0.63 -0.54 0.00 0.00 174.62 174.73 1wha s ILE 90 N 0.16 0.35 0.01 2.99 1.01 -1.24 -5.01 121.20 119.48 1wha s ILE 90 Ca 0.02 0.07 -0.14 0.00 0.00 0.00 0.00 60.65 60.60 1wha s ILE 90 Cb -0.13 -0.46 -0.06 0.00 0.01 0.00 0.00 42.46 41.82 1wha s ILE 90 CO 0.02 0.22 0.40 0.00 0.00 0.00 0.00 174.94 175.58 1wha s ALA 91 N 1.51 3.70 -0.16 9.38 0.00 -1.25 -3.70 121.76 131.24 1wha s ALA 91 Ca -0.02 -0.24 -0.04 0.00 0.00 0.00 0.00 51.96 51.66 1wha s ALA 91 Cb -0.13 -2.37 0.06 0.00 0.00 0.00 0.00 23.12 20.68 1wha s ALA 91 CO -0.03 0.49 0.06 -0.51 0.00 0.00 0.00 175.76 175.78 1wha s LEU 92 N -1.18 0.63 -0.55 0.00 1.43 -0.81 -0.39 118.68 117.82 1wha s LEU 92 Ca 0.25 -0.60 -0.25 0.00 -1.03 0.00 0.00 54.13 52.50 1wha s LEU 92 Cb -0.16 -0.37 0.04 0.00 0.03 0.00 0.00 46.19 45.73 1wha s LEU 92 CO 0.14 -0.32 0.98 -0.22 0.23 0.00 0.00 176.35 177.16 1wha s LEU 93 N 2.03 4.00 0.04 1.79 0.20 -0.52 -1.59 118.68 124.63 1wha s LEU 93 Ca 0.01 -0.25 0.02 0.00 0.69 0.00 0.00 54.13 54.61 1wha s LEU 93 Cb -0.16 -2.91 -0.04 0.00 -0.43 0.00 0.00 46.19 42.65 1wha s LEU 93 CO -0.08 -1.25 0.05 -0.76 -0.29 0.00 0.00 176.35 174.02 1wha s LEU 94 N 4.09 3.73 -0.43 -0.68 1.43 -0.56 -1.05 118.68 125.20 1wha s LEU 94 Ca 0.33 0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 53.33 1wha s LEU 94 Cb -0.12 -2.29 0.07 0.00 0.03 0.00 0.00 46.19 43.88 1wha s LEU 94 CO 0.21 0.22 0.30 -0.70 0.23 0.00 0.00 176.35 176.61 1wha s GLU 95 N -2.02 2.78 -0.09 1.70 2.12 -1.16 -2.51 118.70 119.53 1wha s GLU 95 Ca 0.25 -1.34 -0.22 0.00 0.36 0.00 0.00 54.97 54.02 1wha s GLU 95 Cb -0.12 -3.90 -0.04 0.00 0.26 0.00 0.00 34.13 30.34 1wha s GLU 95 CO 0.17 -0.93 0.63 0.50 -0.54 0.00 0.00 175.26 175.09 1wha s ARG 96 N 1.53 4.39 -0.11 4.30 6.06 -1.15 -4.49 118.95 129.48 1wha s ARG 96 Ca 0.03 0.73 -0.06 0.00 -2.50 0.00 0.00 55.73 53.93 1wha s ARG 96 Cb -0.23 -3.45 -0.04 0.00 0.06 0.00 0.00 34.95 31.29 1wha s ARG 96 CO 0.05 0.07 0.13 -2.00 -2.50 0.00 0.00 175.30 171.04 1wha s GLU 97 N 0.84 3.40 -0.22 5.12 2.12 -1.26 -0.96 118.70 127.75 1wha s GLU 97 Ca 0.33 -0.16 0.03 0.00 0.36 0.00 0.00 54.97 55.53 1wha s GLU 97 Cb -0.17 -3.15 -0.20 0.00 0.26 0.00 0.00 34.13 30.87 1wha s GLU 97 CO 0.15 0.77 -0.06 0.00 -0.54 0.00 0.00 175.26 175.58 1wha n ALA 98 N 1.93 1.35 0.00 6.30 0.00 -1.26 -4.88 120.51 123.96 1wha n ALA 98 Ca -0.19 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.21 1wha n ALA 98 Cb 0.55 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.76 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 2.13 -0.74 4.43 0.00 0.00 -1.26 -4.23 105.19 105.52 1wha n GLY 99 Ca -0.41 0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.38 -0.49 1.61 3.41 -1.26 -4.77 113.62 110.75 1wha n SER 100 Ca 0.00 -1.21 0.00 0.00 -0.26 0.00 0.00 58.87 57.40 1wha n SER 100 Cb 0.00 -1.82 0.00 0.00 -0.26 0.00 0.00 64.21 62.13 1wha n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wha n GLY 101 N -1.48 0.56 3.61 5.00 0.00 -1.26 -5.11 105.19 106.51 1wha n GLY 101 Ca -0.00 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.46 3.60 -0.53 1.61 0.04 -1.26 -4.97 135.00 133.03 1wha s PRO 102 Ca 0.00 1.48 -0.17 0.00 0.04 0.00 0.00 61.00 62.35 1wha s PRO 102 Cb 0.00 -4.09 0.09 0.00 0.04 0.00 0.00 34.50 30.54 1wha s PRO 102 CO 0.00 -1.53 0.57 0.45 0.04 0.00 0.00 177.00 176.53 1wha s SER 103 N 4.85 6.19 -0.04 6.66 0.15 -1.26 -5.04 113.70 125.21 1wha s SER 103 Ca 0.73 -1.38 -0.30 0.00 0.70 0.00 0.00 55.95 55.70 1wha s SER 103 Cb -0.22 -2.25 -0.03 0.00 -1.71 0.00 0.00 66.02 61.80 1wha s SER 103 CO 0.31 -0.90 1.18 -0.55 1.20 0.00 0.00 173.24 174.48 1wha s SER 104 N 3.19 7.08 0.00 5.45 0.15 -1.26 -5.26 113.70 123.05 1wha s SER 104 Ca 0.09 1.81 0.15 0.00 0.70 0.00 0.00 55.95 58.70 1wha s SER 104 Cb -0.25 -2.56 0.90 0.00 -1.71 0.00 0.00 66.02 62.41 1wha s SER 104 CO 0.07 -0.54 1.32 0.61 1.20 0.00 0.00 173.24 175.89