#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 2.09 0.14 1.61 0.01 -1.26 -5.14 113.70 111.15 1wha s SER 2 Ca 0.00 -0.43 0.04 0.00 1.31 0.00 0.00 55.95 56.87 1wha s SER 2 Cb 0.00 -0.32 -0.04 0.00 0.21 0.00 0.00 66.02 65.87 1wha s SER 2 CO 0.00 -0.30 -0.10 -0.94 0.41 0.00 0.00 173.24 172.32 1wha s SER 3 N 2.07 1.67 0.00 2.44 1.04 -1.26 -5.14 113.70 114.52 1wha s SER 3 Ca 0.02 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.45 1wha s SER 3 Cb -0.15 0.01 0.00 0.00 0.10 0.00 0.00 66.02 65.98 1wha s SER 3 CO -0.07 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.41 1wha n GLY 4 N -0.13 3.54 2.13 7.32 0.00 -1.26 -4.90 105.19 111.90 1wha n GLY 4 Ca -0.11 -1.74 -0.25 0.00 0.00 0.00 0.00 46.02 43.92 1wha n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wha n SER 5 N 0.00 6.96 -3.55 1.61 2.88 -1.26 -5.01 113.62 115.26 1wha n SER 5 Ca 0.00 -3.36 -0.32 0.00 -1.33 0.00 0.00 58.87 53.85 1wha n SER 5 Cb 0.00 -1.04 0.01 0.00 -0.75 0.00 0.00 64.21 62.43 1wha n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wha n SER 6 N -0.10 -3.45 -3.64 -3.46 3.41 -1.26 -4.83 113.62 100.30 1wha n SER 6 Ca 0.44 0.48 -0.29 0.00 -0.26 0.00 0.00 58.87 59.24 1wha n SER 6 Cb 0.59 -0.70 -0.15 0.00 -0.26 0.00 0.00 64.21 63.69 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 -0.84 0.72 -0.11 5.00 0.00 -1.06 -4.97 107.32 106.05 1wha s GLY 7 Ca 0.45 -1.22 -0.01 0.00 0.00 0.00 0.00 44.72 43.94 1wha s GLY 7 CO 0.58 1.81 -0.05 1.09 0.00 0.00 0.00 173.10 176.54 1wha s ARG 8 N 1.90 3.18 0.33 2.90 1.70 -1.26 -1.60 118.95 126.09 1wha s ARG 8 Ca 0.08 -0.52 -0.02 0.00 -0.47 0.00 0.00 55.73 54.80 1wha s ARG 8 Cb -0.17 -2.76 -0.00 0.00 -0.57 0.00 0.00 34.95 31.46 1wha s ARG 8 CO -0.28 0.49 0.44 -3.38 -1.08 0.00 0.00 175.30 171.48 1wha s HIS 9 N -0.31 1.08 0.03 5.89 -3.43 -0.58 -4.97 115.29 113.00 1wha s HIS 9 Ca 0.05 -1.29 -0.10 0.00 -0.80 0.00 0.00 55.06 52.91 1wha s HIS 9 Cb -0.12 -0.15 -0.05 0.00 -1.43 0.00 0.00 32.58 30.82 1wha s HIS 9 CO 0.02 -1.07 0.36 0.54 -2.00 0.00 0.00 174.74 172.59 1wha s VAL 10 N -3.23 5.14 -0.24 -5.38 0.11 -1.26 -0.93 120.40 114.61 1wha s VAL 10 Ca 0.31 0.49 -0.00 0.00 -2.93 0.00 0.00 61.98 59.86 1wha s VAL 10 Cb 0.00 -3.63 0.07 0.00 -1.53 0.00 0.00 36.38 31.29 1wha s VAL 10 CO 0.20 0.41 -0.01 0.00 -3.33 0.00 0.00 175.10 172.37 1wha s ALA 11 N -1.26 1.75 0.27 1.54 0.00 0.81 -4.93 121.76 119.94 1wha s ALA 11 Ca 0.28 -1.33 -0.29 0.00 0.00 0.00 0.00 51.96 50.62 1wha s ALA 11 Cb -0.14 -1.44 -0.09 0.00 0.00 0.00 0.00 23.12 21.44 1wha s ALA 11 CO 0.15 -1.29 1.02 0.00 0.00 0.00 0.00 175.76 175.65 1wha s LEU 13 N -1.44 2.32 -0.46 0.00 1.43 -1.22 -5.00 118.68 114.30 1wha s LEU 13 Ca 0.44 -0.87 -0.09 0.00 -1.03 0.00 0.00 54.13 52.58 1wha s LEU 13 Cb -0.28 0.29 0.11 0.00 0.03 0.00 0.00 46.19 46.34 1wha s LEU 13 CO 0.36 -0.57 0.33 0.00 0.23 0.00 0.00 176.35 176.70 1wha s ALA 14 N -3.50 3.38 0.40 4.21 0.00 -1.26 -2.83 121.76 122.15 1wha s ALA 14 Ca 0.03 -2.49 -0.24 0.00 0.00 0.00 0.00 51.96 49.25 1wha s ALA 14 Cb 0.05 -2.80 -0.09 0.00 0.00 0.00 0.00 23.12 20.28 1wha s ALA 14 CO -0.09 -1.87 1.07 0.50 0.00 0.00 0.00 175.76 175.37 1wha s ARG 15 N 1.37 4.15 0.06 0.00 3.52 -0.88 -4.87 118.95 122.30 1wha s ARG 15 Ca 0.05 1.57 0.03 0.00 -0.13 0.00 0.00 55.73 57.26 1wha s ARG 15 Cb -0.26 -2.58 -0.03 0.00 -1.56 0.00 0.00 34.95 30.53 1wha s ARG 15 CO -0.00 -0.16 -0.10 -1.54 -0.81 0.00 0.00 175.30 172.68 1wha s SER 16 N -1.48 1.22 0.39 -2.12 1.04 -1.26 -4.73 113.70 106.77 1wha s SER 16 Ca 0.57 -0.62 0.14 0.00 0.48 0.00 0.00 55.95 56.53 1wha s SER 16 Cb -0.24 0.00 0.98 0.00 0.10 0.00 0.00 66.02 66.87 1wha s SER 16 CO 0.30 -0.17 1.84 -0.08 0.98 0.00 0.00 173.24 176.11 1wha h GLU 17 N 4.28 0.50 0.00 4.02 4.81 -1.99 0.45 114.58 126.65 1wha h GLU 17 Ca -0.38 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.81 1wha h GLU 17 Cb 1.20 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.46 1wha h GLU 17 CO 0.42 0.33 -0.05 0.00 -0.73 0.00 0.00 179.01 178.99 1wha h ARG 18 N 0.52 0.00 0.00 1.92 3.08 -2.02 -3.46 114.38 114.41 1wha h ARG 18 Ca 0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.54 1wha h ARG 18 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 1wha h ARG 18 CO -0.22 0.05 0.00 0.41 -1.07 0.00 0.00 179.97 179.14 1wha n GLY 19 N -1.01 3.03 0.30 0.04 0.00 0.16 -4.95 105.19 102.75 1wha n GLY 19 Ca -0.02 -0.96 -0.04 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.60 0.00 0.99 4.77 -1.24 -4.72 117.00 116.20 1wha n LEU 20 Ca 0.00 1.31 0.00 0.00 -0.03 0.00 0.00 56.01 57.29 1wha n LEU 20 Cb 0.00 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1wha n LEU 20 CO 0.00 -1.13 0.00 0.61 -1.33 0.00 0.00 177.39 175.54 1wha n GLY 21 N -1.29 3.90 3.83 -0.72 0.00 -1.26 -4.56 105.19 105.09 1wha n GLY 21 Ca 0.05 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.84 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 3.43 0.47 1.61 -0.12 -1.26 -3.10 117.98 119.01 1wha s PHE 22 Ca 0.00 1.41 0.06 0.00 -0.05 0.00 0.00 56.93 58.35 1wha s PHE 22 Cb 0.00 -2.68 -0.01 0.00 -0.63 0.00 0.00 43.02 39.70 1wha s PHE 22 CO 0.00 0.09 0.27 0.45 -0.05 0.00 0.00 175.22 175.98 1wha s SER 23 N -2.08 4.55 0.08 1.98 0.15 0.87 -4.95 113.70 114.31 1wha s SER 23 Ca 0.54 -1.16 0.04 0.00 0.70 0.00 0.00 55.95 56.08 1wha s SER 23 Cb -0.12 -0.07 -0.03 0.00 -1.71 0.00 0.00 66.02 64.09 1wha s SER 23 CO 0.17 -0.79 -0.12 0.27 1.20 0.00 0.00 173.24 173.97 1wha s ILE 24 N -2.67 1.03 0.10 6.45 -4.36 -1.26 -3.11 121.20 117.38 1wha s ILE 24 Ca 0.36 -1.43 -0.13 0.00 -0.26 0.00 0.00 60.65 59.19 1wha s ILE 24 Cb 0.01 -1.16 0.02 0.00 1.25 0.00 0.00 42.46 42.57 1wha s ILE 24 CO 0.21 -0.36 0.30 0.00 0.24 0.00 0.00 174.94 175.32 1wha s ALA 25 N -1.73 -0.60 0.00 2.27 0.00 0.16 -4.75 121.76 117.12 1wha s ALA 25 Ca 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.66 1wha s ALA 25 Cb -0.07 0.58 0.00 0.00 0.00 0.00 0.00 23.12 23.63 1wha s ALA 25 CO 0.02 -0.57 0.00 0.41 0.00 0.00 0.00 175.76 175.61 1wha n GLY 26 N -0.11 2.92 2.63 0.00 0.00 -1.05 -0.30 105.19 109.28 1wha n GLY 26 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.77 -3.34 3.75 -0.02 0.00 -1.08 -4.44 105.19 99.29 1wha n GLY 27 Ca 0.00 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 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 1.70 2.54 0.00 1.61 5.02 -1.25 -2.11 118.16 125.67 1wha n LYS 28 Ca 0.02 0.90 0.00 0.00 -2.02 0.00 0.00 58.31 57.21 1wha n LYS 28 Cb 0.44 -2.60 0.00 0.00 -0.02 0.00 0.00 35.03 32.84 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 0.93 2.19 2.02 0.72 0.00 -1.26 -3.71 105.19 106.09 1wha n GLY 29 Ca 0.04 -0.26 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 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 1.23 0.18 -4.73 1.61 2.88 -0.90 -5.01 113.62 108.89 1wha n SER 30 Ca 0.00 -1.32 -0.42 0.00 -1.33 0.00 0.00 58.87 55.80 1wha n SER 30 Cb 0.00 -0.50 -0.03 0.00 -0.75 0.00 0.00 64.21 62.94 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 -2.32 3.27 -1.13 2.46 2.01 -1.26 -4.84 115.64 113.83 1wha s THR 31 Ca 0.39 0.99 -0.23 0.00 0.31 0.00 0.00 61.69 63.15 1wha s THR 31 Cb -0.01 -3.64 -0.08 0.00 0.01 0.00 0.00 72.50 68.78 1wha s THR 31 CO 0.27 0.12 1.94 -2.16 -0.69 0.00 0.00 174.62 174.10 1wha s PRO 32 N 0.34 2.51 0.45 4.92 0.04 -1.26 -2.51 135.00 139.48 1wha s PRO 32 Ca 0.59 -0.98 0.40 0.00 0.04 0.00 0.00 61.00 61.05 1wha s PRO 32 Cb -0.36 -5.21 1.41 0.00 0.04 0.00 0.00 34.50 30.38 1wha s PRO 32 CO 0.35 -3.85 1.27 0.98 0.04 0.00 0.00 177.00 175.79 1wha n TYR 33 N 14.29 0.04 -3.80 0.56 9.36 -1.26 -3.48 117.16 132.87 1wha n TYR 33 Ca 0.44 0.04 -0.27 0.00 3.32 0.00 0.00 57.90 61.43 1wha n TYR 33 Cb 0.47 -0.45 -0.17 0.00 -0.63 0.00 0.00 39.34 38.56 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 -4.54 0.93 -0.28 2.98 1.81 -1.26 -5.02 118.95 113.57 1wha s ARG 34 Ca -0.04 -0.33 -0.37 0.00 -1.72 0.00 0.00 55.73 53.27 1wha s ARG 34 Cb 0.22 -1.80 -0.13 0.00 -0.45 0.00 0.00 34.95 32.79 1wha s ARG 34 CO 0.73 -0.48 1.99 0.00 -0.68 0.00 0.00 175.30 176.85 1wha n ALA 35 N 5.01 0.62 -0.50 2.13 0.00 -1.23 -0.02 120.51 126.51 1wha n ALA 35 Ca -0.10 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1wha n ALA 35 Cb 0.48 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.50 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 5.39 0.70 2.99 0.00 0.00 -1.26 -5.07 105.19 107.94 1wha n GLY 36 Ca 0.33 -0.48 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.44 2.24 -0.47 1.61 1.11 0.97 -5.01 116.67 114.67 1wha s ASP 37 Ca 0.00 -0.37 0.03 0.00 0.18 0.00 0.00 52.55 52.40 1wha s ASP 37 Cb 0.00 -0.96 0.54 0.00 1.07 0.00 0.00 42.92 43.57 1wha s ASP 37 CO 0.00 -0.04 1.78 0.00 1.18 0.00 0.00 175.17 178.09 1wha n ALA 38 N 4.47 5.53 -2.56 5.23 0.00 -1.26 -4.64 120.51 127.28 1wha n ALA 38 Ca -0.17 -3.26 0.00 0.00 0.00 0.00 0.00 53.44 50.01 1wha n ALA 38 Cb 0.51 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 -1.02 3.68 2.71 0.00 0.00 -1.25 -4.38 105.19 104.93 1wha n GLY 39 Ca 0.54 -1.82 -0.20 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 2.72 -0.15 0.31 -0.61 1.01 -1.26 -2.63 121.20 120.59 1wha s ILE 40 Ca 0.00 0.36 0.10 0.00 0.00 0.00 0.00 60.65 61.11 1wha s ILE 40 Cb 0.00 -0.23 -0.05 0.00 0.01 0.00 0.00 42.46 42.19 1wha s ILE 40 CO 0.00 0.13 -0.09 -0.36 0.00 0.00 0.00 174.94 174.62 1wha s PHE 41 N 2.20 2.45 -0.11 3.97 0.40 0.59 -0.35 117.98 127.13 1wha s PHE 41 Ca 0.04 -0.37 -0.30 0.00 -0.60 0.00 0.00 56.93 55.71 1wha s PHE 41 Cb -0.12 -1.24 -0.02 0.00 0.51 0.00 0.00 43.02 42.15 1wha s PHE 41 CO -0.04 0.61 1.20 0.08 0.70 0.00 0.00 175.22 177.77 1wha s VAL 42 N -2.50 4.33 -0.16 -0.44 1.01 -0.92 -0.67 120.40 121.05 1wha s VAL 42 Ca 0.32 1.63 0.08 0.00 0.00 0.00 0.00 61.98 64.01 1wha s VAL 42 Cb -0.03 -4.05 -0.23 0.00 0.00 0.00 0.00 36.38 32.08 1wha s VAL 42 CO 0.17 -0.07 0.19 -1.54 0.00 0.00 0.00 175.10 173.86 1wha n SER 43 N 5.81 1.13 -3.90 3.32 3.41 -1.18 -1.90 113.62 120.31 1wha n SER 43 Ca 0.12 0.10 -0.10 0.00 -0.26 0.00 0.00 58.87 58.73 1wha n SER 43 Cb 0.46 0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.33 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 -2.54 0.50 -0.03 4.33 6.06 -1.26 -4.95 118.95 121.07 1wha s ARG 44 Ca -0.18 -0.55 0.02 0.00 -2.50 0.00 0.00 55.73 52.52 1wha s ARG 44 Cb 0.07 0.20 0.01 0.00 0.06 0.00 0.00 34.95 35.30 1wha s ARG 44 CO 0.76 -0.12 -0.05 0.42 -2.50 0.00 0.00 175.30 173.80 1wha s ILE 45 N -1.83 0.53 -0.59 4.11 1.01 -1.26 -0.09 121.20 123.08 1wha s ILE 45 Ca -0.11 -0.20 -0.26 0.00 0.00 0.00 0.00 60.65 60.08 1wha s ILE 45 Cb -0.06 -0.51 -0.10 0.00 0.01 0.00 0.00 42.46 41.81 1wha s ILE 45 CO -0.01 0.19 2.43 0.00 0.00 0.00 0.00 174.94 177.55 1wha n ALA 46 N 3.53 0.66 -1.93 9.38 0.00 -1.18 -4.84 120.51 126.12 1wha n ALA 46 Ca -0.20 -1.02 -0.43 0.00 0.00 0.00 0.00 53.44 51.79 1wha n ALA 46 Cb 0.54 -3.18 -0.03 0.00 0.00 0.00 0.00 19.45 16.78 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 8.46 3.85 0.00 0.00 2.12 -1.26 -2.22 118.70 129.65 1wha s GLU 47 Ca 0.99 2.01 0.00 0.00 0.36 0.00 0.00 54.97 58.33 1wha s GLU 47 Cb -0.22 -4.10 0.00 0.00 0.26 0.00 0.00 34.13 30.07 1wha s GLU 47 CO 0.23 -1.25 0.00 0.41 -0.54 0.00 0.00 175.26 174.11 1wha n GLY 48 N 4.68 2.83 0.00 -1.50 0.00 -1.26 -5.00 105.19 104.94 1wha n GLY 48 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 -1.82 0.07 -0.02 0.00 -0.94 -4.62 105.19 97.85 1wha n GLY 49 Ca 0.00 -0.87 -0.06 0.00 0.00 0.00 0.00 46.02 45.09 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 0.02 -0.94 4.61 0.00 -1.82 -3.15 119.26 115.98 1wha h ALA 50 Ca 0.00 -0.52 0.23 0.00 0.00 0.00 0.00 54.91 54.62 1wha h ALA 50 Cb 0.00 0.48 -0.17 0.00 0.00 0.00 0.00 17.79 18.10 1wha h ALA 50 CO 0.00 0.48 -0.05 0.00 0.00 0.00 0.00 179.25 179.68 1wha h ALA 51 N -0.95 0.96 0.48 0.00 0.00 -1.80 0.16 119.26 118.11 1wha h ALA 51 Ca -0.03 0.33 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1wha h ALA 51 Cb 0.54 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1wha h ALA 51 CO -0.02 -0.49 -0.23 1.25 0.00 0.00 0.00 179.25 179.76 1wha h HIS 52 N 0.02 -0.60 -0.80 0.00 6.17 -1.68 -3.22 115.15 115.03 1wha h HIS 52 Ca 0.53 -0.01 0.19 0.00 0.71 0.00 0.00 60.37 61.78 1wha h HIS 52 Cb 1.00 0.20 -0.14 0.00 2.52 0.00 0.00 27.41 30.99 1wha h HIS 52 CO -0.55 -0.28 -0.02 -0.09 0.71 0.00 0.00 177.93 177.71 1wha h ARG 53 N -1.00 0.08 -0.71 5.26 2.43 -1.10 -1.33 114.38 118.00 1wha h ARG 53 Ca -0.07 -0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.19 1wha h ARG 53 Cb 0.59 -0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 30.02 1wha h ARG 53 CO 0.11 0.05 -0.35 0.00 -1.51 0.00 0.00 179.97 178.27 1wha n ALA 54 N -3.03 -0.28 0.00 2.80 0.00 0.41 -4.84 120.51 115.58 1wha n ALA 54 Ca 0.15 0.65 0.00 0.00 0.00 0.00 0.00 53.44 54.24 1wha n ALA 54 Cb 0.51 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.76 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 -1.25 2.26 0.25 0.00 0.00 -0.50 -4.83 105.19 101.11 1wha n GLY 55 Ca 0.04 -0.70 0.02 0.00 0.00 0.00 0.00 46.02 45.38 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 0.46 -2.21 2.61 1.03 -1.88 -3.40 112.91 109.52 1wha h THR 56 Ca 0.00 -0.04 -0.59 0.00 -0.01 0.00 0.00 66.41 65.77 1wha h THR 56 Cb 0.00 0.32 0.04 0.00 -1.07 0.00 0.00 68.15 67.44 1wha h THR 56 CO 0.00 0.02 0.97 0.18 -0.01 0.00 0.00 175.52 176.68 1wha n LEU 57 N -5.29 3.39 -3.72 0.00 4.77 -1.26 -4.97 117.00 109.92 1wha n LEU 57 Ca 0.10 1.02 -0.12 0.00 -0.03 0.00 0.00 56.01 56.99 1wha n LEU 57 Cb 0.39 -1.42 -0.11 0.00 -2.33 0.00 0.00 43.42 39.94 1wha n LEU 57 CO 0.09 -0.12 0.01 -1.10 -1.33 0.00 0.00 177.39 174.95 1wha s GLN 58 N 2.45 0.37 -0.47 3.23 -0.21 -1.26 -4.88 119.66 118.89 1wha s GLN 58 Ca 0.85 0.64 -0.36 0.00 0.02 0.00 0.00 55.36 56.51 1wha s GLN 58 Cb -0.65 0.04 -0.14 0.00 1.00 0.00 0.00 33.01 33.25 1wha s GLN 58 CO 0.43 -0.12 2.26 0.28 -2.12 0.00 0.00 175.29 176.02 1wha n VAL 59 N 3.79 0.10 0.00 1.09 0.31 -1.26 -1.54 118.33 120.82 1wha n VAL 59 Ca -0.20 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1wha n VAL 59 Cb 0.56 -1.34 0.00 0.00 -0.91 0.00 0.00 33.84 32.15 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 6.72 3.36 3.67 2.92 0.00 -0.80 -4.97 105.19 116.10 1wha n GLY 60 Ca 0.47 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 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 2.45 -4.85 1.61 8.00 -0.59 -4.54 116.55 118.63 1wha n ASP 61 Ca 0.00 1.20 -0.37 0.00 0.71 0.00 0.00 54.79 56.33 1wha n ASP 61 Cb 0.00 -1.44 -0.06 0.00 -0.02 0.00 0.00 41.12 39.60 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 -1.75 3.82 -0.53 -1.24 3.52 -1.25 -2.17 118.95 119.35 1wha s ARG 62 Ca 0.57 0.29 -0.18 0.00 -0.13 0.00 0.00 55.73 56.27 1wha s ARG 62 Cb -0.60 -3.17 0.08 0.00 -1.56 0.00 0.00 34.95 29.71 1wha s ARG 62 CO 0.61 0.67 0.59 0.08 -0.81 0.00 0.00 175.30 176.45 1wha s VAL 63 N -1.15 4.97 0.01 7.11 1.01 0.53 -2.19 120.40 130.70 1wha s VAL 63 Ca 0.25 -0.89 -0.25 0.00 0.00 0.00 0.00 61.98 61.09 1wha s VAL 63 Cb -0.15 -4.33 -0.17 0.00 0.00 0.00 0.00 36.38 31.72 1wha s VAL 63 CO 0.13 -0.87 1.31 -0.07 0.00 0.00 0.00 175.10 175.61 1wha h LEU 64 N 9.51 -0.20 -8.40 3.92 3.38 -1.40 -3.41 115.31 118.71 1wha h LEU 64 Ca -0.29 -0.24 -0.20 0.00 0.09 0.00 0.00 57.88 57.24 1wha h LEU 64 Cb 1.10 0.05 -0.15 0.00 0.09 0.00 0.00 40.66 41.75 1wha h LEU 64 CO 1.00 0.15 -0.69 -0.55 0.09 0.00 0.00 178.44 178.45 1wha s SER 65 N -5.28 0.94 -0.12 -0.43 0.15 -1.26 -0.91 113.70 106.80 1wha s SER 65 Ca -0.15 -1.02 -0.02 0.00 0.70 0.00 0.00 55.95 55.47 1wha s SER 65 Cb 0.03 0.13 0.04 0.00 -1.71 0.00 0.00 66.02 64.50 1wha s SER 65 CO 0.60 -0.51 0.01 -0.63 1.20 0.00 0.00 173.24 173.90 1wha s ILE 66 N -3.72 0.49 -1.17 6.45 1.01 -0.40 -2.53 121.20 121.34 1wha s ILE 66 Ca 0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 60.65 60.59 1wha s ILE 66 Cb 0.06 -0.76 0.00 0.00 0.01 0.00 0.00 42.46 41.77 1wha s ILE 66 CO -0.06 0.11 0.17 -3.20 0.00 0.00 0.00 174.94 171.96 1wha n ASN 67 N 5.09 -4.52 -0.20 3.58 2.85 0.67 -2.40 115.26 120.33 1wha n ASN 67 Ca -0.08 -0.09 -0.02 0.00 -0.11 0.00 0.00 54.58 54.28 1wha n ASN 67 Cb 0.49 -3.56 -0.00 0.00 1.24 0.00 0.00 39.78 37.95 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 -1.12 0.39 2.92 8.20 0.00 -1.26 -4.95 105.19 109.36 1wha n GLY 68 Ca -0.13 -0.88 -0.29 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.09 1.28 -0.27 1.61 1.01 -1.01 -5.08 120.40 115.85 1wha s VAL 69 Ca 0.00 -0.81 -0.34 0.00 0.00 0.00 0.00 61.98 60.84 1wha s VAL 69 Cb 0.00 -1.46 -0.10 0.00 0.00 0.00 0.00 36.38 34.82 1wha s VAL 69 CO 0.00 0.09 2.11 -0.67 0.00 0.00 0.00 175.10 176.63 1wha n ASP 70 N 4.81 2.64 -1.82 3.32 -0.08 -1.26 -1.28 116.55 122.88 1wha n ASP 70 Ca -0.12 0.52 -0.11 0.00 -1.51 0.00 0.00 54.79 53.56 1wha n ASP 70 Cb 0.47 -1.34 0.07 0.00 2.34 0.00 0.00 41.12 42.66 1wha n ASP 70 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1wha n VAL 71 N 6.77 2.05 -0.17 5.18 0.24 -0.09 -4.79 118.33 127.52 1wha n VAL 71 Ca 0.34 -3.54 -0.07 0.00 -2.04 0.00 0.00 64.34 59.03 1wha n VAL 71 Cb 0.28 -0.35 0.02 0.00 -1.47 0.00 0.00 33.84 32.32 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 2.89 1.15 -0.00 3.34 1.35 -1.62 -3.14 112.91 116.89 1wha h THR 72 Ca 0.15 -0.34 -0.00 0.00 -0.55 0.00 0.00 66.41 65.67 1wha h THR 72 Cb 1.40 0.48 -0.00 0.00 -1.73 0.00 0.00 68.15 68.30 1wha h THR 72 CO 0.44 0.16 -0.15 -0.62 -0.25 0.00 0.00 175.52 175.10 1wha n GLU 73 N -4.69 1.37 -1.65 4.72 1.02 -1.26 -3.92 120.64 116.23 1wha n GLU 73 Ca 0.02 -2.79 -0.33 0.00 -0.02 0.00 0.00 57.16 54.04 1wha n GLU 73 Cb 0.05 -1.54 0.06 0.00 -0.02 0.00 0.00 31.44 30.00 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 -2.98 2.40 0.43 0.62 0.00 -1.19 -4.90 121.76 116.13 1wha s ALA 74 Ca 0.34 0.54 -0.23 0.00 0.00 0.00 0.00 51.96 52.60 1wha s ALA 74 Cb 0.31 -3.33 -0.09 0.00 0.00 0.00 0.00 23.12 20.01 1wha s ALA 74 CO 0.00 -1.41 1.04 1.03 0.00 0.00 0.00 175.76 176.42 1wha s ARG 75 N -4.20 4.06 0.16 0.00 0.52 -1.26 -3.90 118.95 114.33 1wha s ARG 75 Ca 0.67 1.46 -0.30 0.00 -0.52 0.00 0.00 55.73 57.04 1wha s ARG 75 Cb -0.21 -2.40 -0.04 0.00 0.52 0.00 0.00 34.95 32.82 1wha s ARG 75 CO 0.44 -0.23 1.54 1.25 0.02 0.00 0.00 175.30 178.33 1wha h HIS 76 N 2.21 -1.74 -0.70 -0.53 -0.00 -1.81 0.24 115.15 112.83 1wha h HIS 76 Ca -0.49 0.12 0.02 0.00 -0.00 0.00 0.00 60.37 60.01 1wha h HIS 76 Cb 1.22 0.87 -0.04 0.00 -0.00 0.00 0.00 27.41 29.46 1wha h HIS 76 CO 0.58 -0.40 0.45 -0.44 -0.00 0.00 0.00 177.93 178.12 1wha h ASP 77 N -0.09 0.77 -0.23 3.26 5.19 -1.92 -2.16 116.42 121.24 1wha h ASP 77 Ca 0.16 -0.01 0.06 0.00 -0.62 0.00 0.00 57.03 56.62 1wha h ASP 77 Cb 0.48 -0.18 -0.07 0.00 0.18 0.00 0.00 39.33 39.73 1wha h ASP 77 CO -0.86 0.55 -0.24 -0.74 -3.12 0.00 0.00 179.24 174.82 1wha h HIS 78 N 0.91 -0.65 -0.88 4.55 2.76 -0.99 -0.20 115.15 120.65 1wha h HIS 78 Ca 0.26 0.04 0.01 0.00 -2.20 0.00 0.00 60.37 58.48 1wha h HIS 78 Cb -0.06 0.32 -0.04 0.00 1.55 0.00 0.00 27.41 29.18 1wha h HIS 78 CO -0.03 -0.32 0.58 0.00 -1.30 0.00 0.00 177.93 176.85 1wha h ALA 79 N 0.77 1.36 -0.82 5.26 0.00 -0.67 -2.23 119.26 122.93 1wha h ALA 79 Ca 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1wha h ALA 79 Cb 0.46 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1wha h ALA 79 CO -0.38 0.59 0.46 0.28 0.00 0.00 0.00 179.25 180.20 1wha h VAL 80 N 1.20 1.24 -0.76 0.00 2.07 -0.56 -2.17 116.25 117.26 1wha h VAL 80 Ca 0.32 -0.57 0.22 0.00 0.82 0.00 0.00 66.70 67.50 1wha h VAL 80 Cb -0.13 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 29.72 1wha h VAL 80 CO -0.07 0.26 0.94 -1.28 0.02 0.00 0.00 177.57 177.44 1wha h SER 81 N 1.14 0.00 0.23 0.57 0.87 -0.44 1.32 113.55 117.25 1wha h SER 81 Ca 0.29 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.52 1wha h SER 81 Cb 0.00 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.90 1wha h SER 81 CO -0.05 0.00 -2.06 0.18 -0.53 0.00 0.00 176.83 174.37 1wha n LEU 82 N -3.34 0.69 -0.01 2.23 4.77 -0.82 -3.65 117.00 116.87 1wha n LEU 82 Ca 0.17 0.20 -0.12 0.00 -0.03 0.00 0.00 56.01 56.22 1wha n LEU 82 Cb 1.19 0.19 -0.10 0.00 -2.33 0.00 0.00 43.42 42.37 1wha n LEU 82 CO 0.23 0.49 0.44 -0.07 -1.33 0.00 0.00 177.39 177.15 1wha h LEU 83 N 0.00 -0.06 -0.86 2.23 3.38 0.16 -3.20 115.31 116.96 1wha h LEU 83 Ca -0.42 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 56.95 1wha h LEU 83 Cb 2.11 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.88 1wha h LEU 83 CO 0.05 0.63 0.00 0.35 0.09 0.00 0.00 178.44 179.56 1wha n THR 84 N -4.79 0.93 -1.46 0.22 -2.24 0.11 -4.80 114.28 102.24 1wha n THR 84 Ca -0.08 0.38 -0.38 0.00 -2.27 0.00 0.00 64.05 61.70 1wha n THR 84 Cb 0.32 -1.33 0.05 0.00 -2.10 0.00 0.00 70.33 67.27 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 -1.76 -0.93 -1.09 6.98 0.00 -1.21 -4.82 120.51 117.68 1wha n ALA 85 Ca 0.01 -0.06 -0.16 0.00 0.00 0.00 0.00 53.44 53.24 1wha n ALA 85 Cb 0.17 -1.89 -0.10 0.00 0.00 0.00 0.00 19.45 17.62 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 -1.83 6.06 -2.79 0.00 0.00 -1.26 -4.88 120.51 115.81 1wha n ALA 86 Ca 0.12 -2.00 -0.34 0.00 0.00 0.00 0.00 53.44 51.22 1wha n ALA 86 Cb 0.48 -2.06 -0.12 0.00 0.00 0.00 0.00 19.45 17.76 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 1.35 4.76 0.16 0.00 1.04 -1.26 -5.02 113.70 114.73 1wha s SER 87 Ca 0.55 -0.06 -0.09 0.00 0.48 0.00 0.00 55.95 56.83 1wha s SER 87 Cb 0.30 -1.51 0.01 0.00 0.10 0.00 0.00 66.02 64.92 1wha s SER 87 CO -0.07 0.27 1.50 1.55 0.98 0.00 0.00 173.24 177.46 1wha h PRO 88 N 5.96 0.86 -5.29 4.02 0.13 -1.90 -3.40 132.00 132.39 1wha h PRO 88 Ca -0.40 -0.46 -0.61 0.00 -0.87 0.00 0.00 66.00 63.66 1wha h PRO 88 Cb 1.19 0.02 -0.16 0.00 0.13 0.00 0.00 31.00 32.18 1wha h PRO 88 CO 0.57 1.10 -0.56 0.95 -0.23 0.00 0.00 178.00 179.84 1wha s THR 89 N -4.35 4.81 -0.27 1.56 -4.23 -1.26 -2.07 115.64 109.83 1wha s THR 89 Ca -0.10 -0.03 -0.01 0.00 -1.18 0.00 0.00 61.69 60.38 1wha s THR 89 Cb 0.11 -3.17 0.08 0.00 1.34 0.00 0.00 72.50 70.87 1wha s THR 89 CO 0.87 0.46 0.05 -0.63 -0.54 0.00 0.00 174.62 174.83 1wha s ILE 90 N 0.35 1.05 0.00 2.99 1.01 -1.13 -5.00 121.20 120.47 1wha s ILE 90 Ca 0.03 -1.25 -0.30 0.00 0.00 0.00 0.00 60.65 59.13 1wha s ILE 90 Cb -0.12 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.67 1wha s ILE 90 CO -0.00 -0.44 1.19 0.00 0.00 0.00 0.00 174.94 175.69 1wha s ALA 91 N 1.57 3.43 -0.15 9.38 0.00 -1.26 -3.45 121.76 131.28 1wha s ALA 91 Ca 0.04 0.73 -0.01 0.00 0.00 0.00 0.00 51.96 52.72 1wha s ALA 91 Cb -0.18 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.51 1wha s ALA 91 CO -0.16 -0.58 -0.03 -0.51 0.00 0.00 0.00 175.76 174.48 1wha s LEU 92 N 1.61 1.32 -0.84 0.00 1.43 -1.13 -0.24 118.68 120.83 1wha s LEU 92 Ca 0.57 -0.55 -0.21 0.00 -1.03 0.00 0.00 54.13 52.92 1wha s LEU 92 Cb -0.27 -0.77 0.09 0.00 0.03 0.00 0.00 46.19 45.27 1wha s LEU 92 CO 0.26 -0.20 1.12 -0.22 0.23 0.00 0.00 176.35 177.54 1wha s LEU 93 N 1.74 4.53 -0.04 1.79 0.20 -1.05 -0.13 118.68 125.71 1wha s LEU 93 Ca 0.02 -1.52 -0.20 0.00 0.69 0.00 0.00 54.13 53.12 1wha s LEU 93 Cb -0.15 -2.44 -0.05 0.00 -0.43 0.00 0.00 46.19 43.13 1wha s LEU 93 CO -0.07 -1.29 0.56 -0.76 -0.29 0.00 0.00 176.35 174.49 1wha s LEU 94 N 3.61 4.37 -0.15 -0.68 1.43 -0.10 -1.05 118.68 126.11 1wha s LEU 94 Ca 0.31 1.05 -0.05 0.00 -1.03 0.00 0.00 54.13 54.41 1wha s LEU 94 Cb -0.09 -2.85 -0.03 0.00 0.03 0.00 0.00 46.19 43.25 1wha s LEU 94 CO -0.02 0.07 0.00 -0.70 0.23 0.00 0.00 176.35 175.94 1wha s GLU 95 N 0.05 3.69 -0.11 1.70 -6.30 -0.93 -1.52 118.70 115.27 1wha s GLU 95 Ca 0.30 -0.44 -0.10 0.00 -2.50 0.00 0.00 54.97 52.22 1wha s GLU 95 Cb -0.17 -3.00 -0.05 0.00 0.00 0.00 0.00 34.13 30.91 1wha s GLU 95 CO 0.15 0.32 0.23 0.50 0.02 0.00 0.00 175.26 176.48 1wha s ARG 96 N 0.18 3.80 -0.42 4.30 6.06 -0.63 -3.88 118.95 128.36 1wha s ARG 96 Ca 0.01 0.02 -0.18 0.00 -2.50 0.00 0.00 55.73 53.08 1wha s ARG 96 Cb -0.13 -3.27 0.02 0.00 0.06 0.00 0.00 34.95 31.63 1wha s ARG 96 CO 0.02 0.59 0.51 -1.21 -2.50 0.00 0.00 175.30 172.71 1wha s GLU 97 N -0.57 3.22 -0.97 5.12 8.01 -1.26 -2.57 118.70 129.68 1wha s GLU 97 Ca 0.16 -0.57 -0.24 0.00 0.01 0.00 0.00 54.97 54.33 1wha s GLU 97 Cb -0.13 -3.94 -0.08 0.00 -4.31 0.00 0.00 34.13 25.66 1wha s GLU 97 CO 0.05 -0.88 2.02 0.00 0.01 0.00 0.00 175.26 176.47 1wha s ALA 98 N 2.39 1.47 0.00 5.21 0.00 -1.26 -4.70 121.76 124.86 1wha s ALA 98 Ca 0.16 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 50.55 1wha s ALA 98 Cb -0.16 -4.60 0.00 0.00 0.00 0.00 0.00 23.12 18.36 1wha s ALA 98 CO 0.15 -5.24 0.00 0.41 0.00 0.00 0.00 175.76 171.09 1wha n GLY 99 N 6.53 3.91 3.62 0.00 0.00 -1.26 -4.81 105.19 113.18 1wha n GLY 99 Ca 0.42 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 1.00 6.77 0.00 1.61 0.15 -1.26 -4.97 113.70 117.00 1wha s SER 100 Ca 0.00 0.79 0.00 0.00 0.70 0.00 0.00 55.95 57.44 1wha s SER 100 Cb 0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1wha s SER 100 CO 0.00 -1.07 0.16 0.61 1.20 0.00 0.00 173.24 174.14 1wha n GLY 101 N 4.35 -1.13 3.77 9.45 0.00 -1.26 -4.83 105.19 115.54 1wha n GLY 101 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.32 4.10 -0.20 1.61 0.04 -1.26 -4.98 135.00 134.00 1wha s PRO 102 Ca 0.00 1.91 -0.03 0.00 0.04 0.00 0.00 61.00 62.92 1wha s PRO 102 Cb 0.00 -2.75 -0.11 0.00 0.04 0.00 0.00 34.50 31.68 1wha s PRO 102 CO 0.00 -0.30 -0.21 0.45 0.04 0.00 0.00 177.00 176.98 1wha n SER 103 N 0.20 2.10 -4.22 6.66 2.88 -1.26 -5.02 113.62 114.96 1wha n SER 103 Ca 0.04 0.03 -0.36 0.00 -1.33 0.00 0.00 58.87 57.24 1wha n SER 103 Cb 0.46 -0.42 0.05 0.00 -0.75 0.00 0.00 64.21 63.55 1wha n SER 103 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wha n SER 104 N -3.39 -3.81 0.00 -3.46 7.64 -1.26 -5.27 113.62 104.08 1wha n SER 104 Ca -0.36 0.42 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1wha n SER 104 Cb 0.83 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 1wha n SER 104 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64