#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wha s SER 2 N 0.00 0.74 0.24 1.61 0.01 -1.26 -5.03 113.70 110.02 1wha s SER 2 Ca 0.00 -0.10 0.04 0.00 1.31 0.00 0.00 55.95 57.20 1wha s SER 2 Cb 0.00 -0.28 0.66 0.00 0.21 0.00 0.00 66.02 66.60 1wha s SER 2 CO 0.00 -0.02 1.19 -0.24 0.41 0.00 0.00 173.24 174.58 1wha n SER 3 N 3.69 -0.03 0.00 2.44 2.88 -1.26 -4.78 113.62 116.55 1wha n SER 3 Ca -0.22 1.29 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 1wha n SER 3 Cb 0.53 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 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 -1.35 2.55 3.38 0.46 0.00 -1.26 -5.17 105.19 103.80 1wha n GLY 4 Ca 0.20 -0.71 -0.20 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 2.84 1.22 1.61 0.01 -1.26 -4.98 113.70 113.14 1wha s SER 5 Ca 0.00 -1.02 -0.14 0.00 1.31 0.00 0.00 55.95 56.10 1wha s SER 5 Cb 0.00 -0.18 0.22 0.00 0.21 0.00 0.00 66.02 66.27 1wha s SER 5 CO 0.00 -0.11 0.50 -1.54 0.41 0.00 0.00 173.24 172.50 1wha n SER 6 N -0.41 -3.21 -3.66 2.44 3.41 -1.26 -4.69 113.62 106.24 1wha n SER 6 Ca -0.07 -0.51 -0.08 0.00 -0.26 0.00 0.00 58.87 57.95 1wha n SER 6 Cb 0.60 -0.60 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 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 -2.51 -0.39 -0.19 5.00 0.00 -0.27 -4.96 107.32 104.00 1wha s GLY 7 Ca 0.39 1.59 -0.17 0.00 0.00 0.00 0.00 44.72 46.53 1wha s GLY 7 CO 0.32 2.36 0.44 0.50 0.00 0.00 0.00 173.10 176.72 1wha s ARG 8 N 2.45 4.20 0.54 2.90 0.52 -1.26 -1.29 118.95 127.00 1wha s ARG 8 Ca -0.03 0.28 0.05 0.00 -0.52 0.00 0.00 55.73 55.51 1wha s ARG 8 Cb -0.11 -3.53 0.03 0.00 0.52 0.00 0.00 34.95 31.86 1wha s ARG 8 CO -0.13 -0.04 0.36 -1.01 0.02 0.00 0.00 175.30 174.49 1wha s HIS 9 N 1.32 1.66 0.04 -0.53 3.76 -0.88 -4.95 115.29 115.72 1wha s HIS 9 Ca 0.21 -0.85 0.03 0.00 -0.15 0.00 0.00 55.06 54.29 1wha s HIS 9 Cb -0.15 -1.88 -0.02 0.00 1.11 0.00 0.00 32.58 31.64 1wha s HIS 9 CO 0.09 -0.39 -0.08 0.54 -0.85 0.00 0.00 174.74 174.04 1wha s VAL 10 N -2.78 0.60 -0.10 -0.90 0.11 -1.26 -2.38 120.40 113.69 1wha s VAL 10 Ca 0.31 -1.09 -0.01 0.00 -2.93 0.00 0.00 61.98 58.26 1wha s VAL 10 Cb -0.02 -0.66 0.03 0.00 -1.53 0.00 0.00 36.38 34.21 1wha s VAL 10 CO 0.19 -0.36 -0.03 0.00 -3.33 0.00 0.00 175.10 171.58 1wha s ALA 11 N -1.35 0.99 -0.31 1.54 0.00 -1.19 -4.94 121.76 116.50 1wha s ALA 11 Ca -0.09 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 51.52 1wha s ALA 11 Cb -0.10 -0.86 0.10 0.00 0.00 0.00 0.00 23.12 22.26 1wha s ALA 11 CO 0.01 -0.52 0.07 0.00 0.00 0.00 0.00 175.76 175.32 1wha s LEU 13 N 1.39 2.16 -0.13 0.00 1.43 -1.26 -4.99 118.68 117.28 1wha s LEU 13 Ca 0.09 -1.27 -0.29 0.00 -1.03 0.00 0.00 54.13 51.62 1wha s LEU 13 Cb -0.18 -0.30 -0.03 0.00 0.03 0.00 0.00 46.19 45.70 1wha s LEU 13 CO -0.18 -0.54 1.52 0.00 0.23 0.00 0.00 176.35 177.37 1wha s ALA 14 N -3.38 3.54 0.25 4.21 0.00 -1.26 -3.94 121.76 121.18 1wha s ALA 14 Ca 0.32 0.66 -0.31 0.00 0.00 0.00 0.00 51.96 52.63 1wha s ALA 14 Cb 0.06 -3.73 -0.14 0.00 0.00 0.00 0.00 23.12 19.32 1wha s ALA 14 CO 0.11 -1.47 1.35 -2.13 0.00 0.00 0.00 175.76 173.62 1wha n ARG 15 N 7.10 1.92 -4.25 0.00 0.63 -0.96 -4.73 116.66 116.38 1wha n ARG 15 Ca 0.17 0.68 -0.20 0.00 -0.92 0.00 0.00 57.85 57.58 1wha n ARG 15 Cb 0.44 -2.30 -0.12 0.00 0.45 0.00 0.00 32.46 30.92 1wha n ARG 15 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1wha s SER 16 N 0.16 1.77 0.40 6.15 0.15 -1.26 -4.87 113.70 116.20 1wha s SER 16 Ca 0.67 -0.57 0.24 0.00 0.70 0.00 0.00 55.95 56.99 1wha s SER 16 Cb -0.66 -0.08 1.32 0.00 -1.71 0.00 0.00 66.02 64.88 1wha s SER 16 CO 0.52 -0.02 1.72 1.05 1.20 0.00 0.00 173.24 177.70 1wha h GLU 17 N 4.47 0.00 0.00 5.44 9.09 -1.99 0.32 114.58 131.91 1wha h GLU 17 Ca -0.41 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.00 1wha h GLU 17 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.29 1wha h GLU 17 CO 0.41 0.00 -0.15 0.00 0.05 0.00 0.00 179.01 179.32 1wha h ARG 18 N 0.00 0.00 0.00 1.06 -0.00 -1.97 -3.47 114.38 110.00 1wha h ARG 18 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1wha h ARG 18 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.14 1wha h ARG 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.97 180.38 1wha n GLY 19 N 1.20 0.98 2.38 0.04 0.00 0.11 -4.64 105.19 105.26 1wha n GLY 19 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.84 0.00 0.99 4.77 -1.09 -3.32 117.00 116.51 1wha n LEU 20 Ca 0.00 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1wha n LEU 20 Cb 0.00 -2.74 0.00 0.00 -2.33 0.00 0.00 43.42 38.35 1wha n LEU 20 CO 0.00 -0.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.41 1wha n GLY 21 N -0.99 1.94 3.90 -0.72 0.00 -1.26 -4.56 105.19 103.50 1wha n GLY 21 Ca -0.23 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 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 3.47 0.52 1.61 -0.71 -1.21 -2.97 117.98 118.68 1wha s PHE 22 Ca 0.00 0.61 0.07 0.00 -1.04 0.00 0.00 56.93 56.57 1wha s PHE 22 Cb 0.00 -2.07 0.03 0.00 -1.21 0.00 0.00 43.02 39.77 1wha s PHE 22 CO 0.00 0.26 0.45 -1.12 -1.34 0.00 0.00 175.22 173.47 1wha s SER 23 N -2.94 4.79 0.22 1.98 0.01 0.11 -4.72 113.70 113.16 1wha s SER 23 Ca 0.43 -1.07 0.08 0.00 1.31 0.00 0.00 55.95 56.70 1wha s SER 23 Cb -0.11 0.15 -0.05 0.00 0.21 0.00 0.00 66.02 66.22 1wha s SER 23 CO 0.28 -1.02 -0.14 0.27 0.41 0.00 0.00 173.24 173.03 1wha s ILE 24 N -2.69 1.83 0.09 1.44 -4.36 -1.26 -3.25 121.20 113.00 1wha s ILE 24 Ca 0.42 -2.23 -0.10 0.00 -0.26 0.00 0.00 60.65 58.47 1wha s ILE 24 Cb -0.03 -2.13 0.01 0.00 1.25 0.00 0.00 42.46 41.56 1wha s ILE 24 CO 0.25 -0.53 0.23 0.00 0.24 0.00 0.00 174.94 175.13 1wha s ALA 25 N -2.92 -0.38 0.00 2.27 0.00 0.31 -4.69 121.76 116.36 1wha s ALA 25 Ca 0.24 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.73 1wha s ALA 25 Cb -0.01 0.51 0.00 0.00 0.00 0.00 0.00 23.12 23.62 1wha s ALA 25 CO 0.09 -0.52 0.00 0.41 0.00 0.00 0.00 175.76 175.73 1wha n GLY 26 N -0.03 1.01 7.00 0.00 0.00 -0.86 -1.13 105.19 111.18 1wha n GLY 26 Ca -0.16 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.05 0.09 -0.02 0.00 0.39 -3.67 105.19 101.94 1wha n GLY 27 Ca 0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.32 0.51 -0.13 1.61 4.76 -1.26 -4.37 118.16 118.95 1wha n LYS 28 Ca 0.00 0.39 -0.03 0.00 -2.87 0.00 0.00 58.31 55.81 1wha n LYS 28 Cb 0.00 -1.59 0.02 0.00 -1.84 0.00 0.00 35.03 31.62 1wha n LYS 28 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wha n GLY 29 N 1.50 2.26 2.05 0.72 0.00 -1.26 -4.82 105.19 105.64 1wha n GLY 29 Ca -0.18 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.58 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 0.32 0.42 -4.73 1.61 7.64 -1.24 -4.91 113.62 112.73 1wha n SER 30 Ca 0.06 -2.36 -0.41 0.00 1.01 0.00 0.00 58.87 57.17 1wha n SER 30 Cb 0.62 0.82 -0.03 0.00 -1.01 0.00 0.00 64.21 64.61 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 -2.66 3.85 -0.99 0.44 2.01 -1.24 -4.84 115.64 112.20 1wha s THR 31 Ca 0.18 1.47 -0.24 0.00 0.31 0.00 0.00 61.69 63.42 1wha s THR 31 Cb 0.01 -3.94 -0.06 0.00 0.01 0.00 0.00 72.50 68.52 1wha s THR 31 CO 0.13 0.20 1.94 -2.16 -0.69 0.00 0.00 174.62 174.04 1wha s PRO 32 N 0.22 2.53 0.51 4.92 0.04 -1.26 -2.02 135.00 139.93 1wha s PRO 32 Ca 0.54 -0.57 0.46 0.00 0.04 0.00 0.00 61.00 61.47 1wha s PRO 32 Cb -0.30 -5.12 1.60 0.00 0.04 0.00 0.00 34.50 30.72 1wha s PRO 32 CO 0.33 -3.57 1.46 0.98 0.04 0.00 0.00 177.00 176.24 1wha n TYR 33 N 14.11 0.07 -3.76 0.56 9.36 -1.26 -3.94 117.16 132.30 1wha n TYR 33 Ca 0.42 0.07 -0.17 0.00 3.32 0.00 0.00 57.90 61.53 1wha n TYR 33 Cb 0.47 -0.53 -0.17 0.00 -0.63 0.00 0.00 39.34 38.48 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 -4.77 0.01 -0.24 2.98 0.52 -1.26 -5.05 118.95 111.14 1wha s ARG 34 Ca -0.05 0.23 -0.31 0.00 -0.52 0.00 0.00 55.73 55.09 1wha s ARG 34 Cb 0.25 -0.39 -0.08 0.00 0.52 0.00 0.00 34.95 35.26 1wha s ARG 34 CO 0.83 -0.22 2.18 0.00 0.02 0.00 0.00 175.30 178.11 1wha n ALA 35 N 4.57 1.50 0.00 2.13 0.00 -1.25 -0.58 120.51 126.88 1wha n ALA 35 Ca -0.19 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1wha n ALA 35 Cb 0.50 -2.77 0.00 0.00 0.00 0.00 0.00 19.45 17.18 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 5.88 0.93 3.00 0.00 0.00 -1.26 -5.09 105.19 108.65 1wha n GLY 36 Ca 0.33 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.14 1.27 -0.24 1.61 -1.08 0.25 -5.03 116.67 111.31 1wha s ASP 37 Ca 0.00 -0.20 0.10 0.00 -0.52 0.00 0.00 52.55 51.93 1wha s ASP 37 Cb 0.00 -0.40 0.44 0.00 -1.46 0.00 0.00 42.92 41.50 1wha s ASP 37 CO 0.00 0.05 1.22 0.00 0.52 0.00 0.00 175.17 176.96 1wha n ALA 38 N 3.42 4.15 -1.66 3.66 0.00 -1.26 -4.44 120.51 124.38 1wha n ALA 38 Ca -0.19 -3.47 0.00 0.00 0.00 0.00 0.00 53.44 49.78 1wha n ALA 38 Cb 0.54 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.98 1.02 2.89 0.00 0.00 -1.26 -4.17 105.19 102.69 1wha n GLY 39 Ca 0.28 -1.89 -0.28 0.00 0.00 0.00 0.00 46.02 44.12 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 1.34 1.12 0.21 -0.61 1.01 -1.26 0.15 121.20 123.17 1wha s ILE 40 Ca 0.00 -0.62 0.10 0.00 0.00 0.00 0.00 60.65 60.13 1wha s ILE 40 Cb 0.00 -1.29 -0.05 0.00 0.01 0.00 0.00 42.46 41.14 1wha s ILE 40 CO 0.00 0.15 -0.18 -0.36 0.00 0.00 0.00 174.94 174.54 1wha s PHE 41 N 1.63 1.99 -0.16 3.97 0.08 -0.29 -0.99 117.98 124.22 1wha s PHE 41 Ca 0.01 -0.44 -0.29 0.00 0.12 0.00 0.00 56.93 56.32 1wha s PHE 41 Cb -0.15 -0.93 -0.02 0.00 -0.57 0.00 0.00 43.02 41.34 1wha s PHE 41 CO -0.08 0.48 1.41 0.08 -0.10 0.00 0.00 175.22 177.01 1wha s VAL 42 N -2.39 4.01 -0.15 -0.44 1.01 -0.57 -0.53 120.40 121.34 1wha s VAL 42 Ca 0.22 1.21 0.18 0.00 0.00 0.00 0.00 61.98 63.59 1wha s VAL 42 Cb -0.04 -3.84 -0.25 0.00 0.00 0.00 0.00 36.38 32.24 1wha s VAL 42 CO 0.10 -0.18 0.24 -1.54 0.00 0.00 0.00 175.10 173.72 1wha n SER 43 N 7.10 0.14 -3.82 3.32 3.41 -1.20 -0.07 113.62 122.51 1wha n SER 43 Ca 0.15 0.07 -0.12 0.00 -0.26 0.00 0.00 58.87 58.71 1wha n SER 43 Cb 0.45 1.00 -0.12 0.00 -0.26 0.00 0.00 64.21 65.27 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 -2.69 0.25 -0.07 4.33 3.00 -1.26 -4.95 118.95 117.56 1wha s ARG 44 Ca -0.09 0.17 0.03 0.00 -1.00 0.00 0.00 55.73 54.84 1wha s ARG 44 Cb 0.08 0.12 0.01 0.00 0.00 0.00 0.00 34.95 35.15 1wha s ARG 44 CO 0.84 -0.04 -0.14 0.42 0.00 0.00 0.00 175.30 176.38 1wha s ILE 45 N -0.10 1.28 -0.49 4.11 1.01 -1.26 0.05 121.20 125.80 1wha s ILE 45 Ca -0.02 -0.57 -0.27 0.00 0.00 0.00 0.00 60.65 59.79 1wha s ILE 45 Cb -0.02 -1.15 -0.08 0.00 0.01 0.00 0.00 42.46 41.23 1wha s ILE 45 CO 0.00 0.38 2.41 0.00 0.00 0.00 0.00 174.94 177.74 1wha n ALA 46 N 3.70 0.87 -1.45 9.38 0.00 -1.16 -4.82 120.51 127.04 1wha n ALA 46 Ca -0.22 -0.82 -0.34 0.00 0.00 0.00 0.00 53.44 52.06 1wha n ALA 46 Cb 0.52 -3.12 0.08 0.00 0.00 0.00 0.00 19.45 16.93 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 8.09 2.39 -1.42 0.00 2.12 -1.26 -1.98 118.70 126.64 1wha s GLU 47 Ca 1.01 1.70 -0.17 0.00 0.36 0.00 0.00 54.97 57.87 1wha s GLU 47 Cb -0.26 -1.87 0.17 0.00 0.26 0.00 0.00 34.13 32.43 1wha s GLU 47 CO 0.29 -1.63 0.43 0.41 -0.54 0.00 0.00 175.26 174.22 1wha n GLY 48 N 0.24 -0.29 0.00 -1.50 0.00 -1.26 -4.78 105.19 97.60 1wha n GLY 48 Ca 0.13 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.99 4.24 0.11 -0.02 0.00 -1.16 -4.97 105.19 102.41 1wha n GLY 49 Ca 0.07 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 45.17 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 0.87 0.41 4.61 0.00 -1.26 -3.52 120.51 118.62 1wha n ALA 50 Ca 0.00 -0.61 -0.19 0.00 0.00 0.00 0.00 53.44 52.64 1wha n ALA 50 Cb 0.00 -0.43 -0.09 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.58 -1.01 0.44 0.00 0.00 -1.80 -2.06 119.26 114.25 1wha h ALA 51 Ca -0.42 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 1wha h ALA 51 Cb 1.38 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 19.54 1wha h ALA 51 CO -0.25 -1.07 -0.49 1.25 0.00 0.00 0.00 179.25 178.69 1wha h HIS 52 N -1.01 -1.37 -0.91 0.00 6.17 -1.63 -2.65 115.15 113.75 1wha h HIS 52 Ca -0.10 0.01 0.18 0.00 0.71 0.00 0.00 60.37 61.17 1wha h HIS 52 Cb 0.77 0.54 -0.17 0.00 2.52 0.00 0.00 27.41 31.07 1wha h HIS 52 CO -0.02 -0.64 -0.25 -0.09 0.71 0.00 0.00 177.93 177.63 1wha h ARG 53 N -0.94 -0.01 -0.93 5.26 2.43 -1.60 0.28 114.38 118.88 1wha h ARG 53 Ca -0.05 0.00 0.21 0.00 -0.81 0.00 0.00 59.98 59.33 1wha h ARG 53 Cb 0.83 0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 30.21 1wha h ARG 53 CO -0.09 -0.01 -0.11 0.00 -1.51 0.00 0.00 179.97 178.26 1wha h ALA 54 N 1.80 0.83 0.00 2.80 0.00 -1.00 -3.45 119.26 120.24 1wha h ALA 54 Ca 0.42 0.34 0.00 0.00 0.00 0.00 0.00 54.91 55.67 1wha h ALA 54 Cb 0.65 0.63 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1wha h ALA 54 CO -0.93 -0.45 0.00 0.41 0.00 0.00 0.00 179.25 178.27 1wha n GLY 55 N -1.54 2.36 0.31 0.00 0.00 1.00 -4.81 105.19 102.51 1wha n GLY 55 Ca 0.17 -0.59 0.10 0.00 0.00 0.00 0.00 46.02 45.70 1wha n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wha n THR 56 N 0.00 -0.37 -1.90 2.61 -2.24 -1.26 -4.24 114.28 106.88 1wha n THR 56 Ca 0.00 1.96 -0.42 0.00 -2.27 0.00 0.00 64.05 63.32 1wha n THR 56 Cb 0.00 -2.80 -0.03 0.00 -2.10 0.00 0.00 70.33 65.40 1wha n THR 56 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1wha s LEU 57 N -10.67 4.37 -0.15 3.22 1.43 -1.26 -4.99 118.68 110.63 1wha s LEU 57 Ca -0.12 2.53 -0.06 0.00 -1.03 0.00 0.00 54.13 55.45 1wha s LEU 57 Cb 0.25 -3.57 0.07 0.00 0.03 0.00 0.00 46.19 42.97 1wha s LEU 57 CO 0.68 -0.90 0.32 -1.10 0.23 0.00 0.00 176.35 175.58 1wha s GLN 58 N 2.50 0.24 -0.49 1.70 -0.21 -1.26 -4.84 119.66 117.30 1wha s GLN 58 Ca 0.74 0.77 -0.46 0.00 0.02 0.00 0.00 55.36 56.43 1wha s GLN 58 Cb -0.41 0.03 -0.20 0.00 1.00 0.00 0.00 33.01 33.43 1wha s GLN 58 CO 0.33 -0.23 1.59 0.28 -2.12 0.00 0.00 175.29 175.13 1wha n VAL 59 N 4.95 0.00 0.00 1.09 0.31 -1.26 -0.86 118.33 122.56 1wha n VAL 59 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1wha n VAL 59 Cb 0.51 -0.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 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 4.00 2.04 3.66 2.92 0.00 0.90 -4.93 105.19 113.78 1wha n GLY 60 Ca 0.31 -0.61 -0.45 0.00 0.00 0.00 0.00 46.02 45.27 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 0.08 2.40 -4.86 1.61 9.92 -0.04 -4.40 116.55 121.27 1wha n ASP 61 Ca 0.00 1.16 -0.35 0.00 -0.53 0.00 0.00 54.79 55.07 1wha n ASP 61 Cb 0.00 -1.40 -0.06 0.00 -0.64 0.00 0.00 41.12 39.03 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 -0.90 3.80 -0.53 -1.24 3.52 -1.26 -1.52 118.95 120.82 1wha s ARG 62 Ca 0.64 0.24 -0.17 0.00 -0.13 0.00 0.00 55.73 56.32 1wha s ARG 62 Cb -0.66 -3.02 0.10 0.00 -1.56 0.00 0.00 34.95 29.81 1wha s ARG 62 CO 0.54 0.57 0.53 0.08 -0.81 0.00 0.00 175.30 176.21 1wha s VAL 63 N -1.35 5.10 0.08 7.11 1.01 -0.16 -2.38 120.40 129.81 1wha s VAL 63 Ca 0.32 -1.19 -0.33 0.00 0.00 0.00 0.00 61.98 60.78 1wha s VAL 63 Cb -0.14 -4.31 -0.17 0.00 0.00 0.00 0.00 36.38 31.75 1wha s VAL 63 CO 0.17 -0.85 1.61 -0.07 0.00 0.00 0.00 175.10 175.96 1wha h LEU 64 N 9.16 -0.97 -8.20 3.92 3.38 -0.91 -3.39 115.31 118.30 1wha h LEU 64 Ca -0.29 0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.62 1wha h LEU 64 Cb 1.10 0.29 -0.15 0.00 0.09 0.00 0.00 40.66 41.99 1wha h LEU 64 CO 1.01 -0.59 -0.66 -0.44 0.09 0.00 0.00 178.44 177.85 1wha s SER 65 N -4.41 0.45 -0.12 -0.43 0.01 -1.25 -1.85 113.70 106.10 1wha s SER 65 Ca -0.18 -0.96 -0.01 0.00 1.31 0.00 0.00 55.95 56.11 1wha s SER 65 Cb 0.04 0.21 0.04 0.00 0.21 0.00 0.00 66.02 66.52 1wha s SER 65 CO 0.62 -0.60 -0.02 -0.63 0.41 0.00 0.00 173.24 173.02 1wha s ILE 66 N -3.84 0.68 -1.47 1.44 1.01 -0.68 -1.27 121.20 117.07 1wha s ILE 66 Ca 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.46 1wha s ILE 66 Cb 0.07 -0.89 0.00 0.00 0.01 0.00 0.00 42.46 41.65 1wha s ILE 66 CO -0.10 0.16 0.00 0.59 0.00 0.00 0.00 174.94 175.59 1wha n ASN 67 N 5.03 -5.00 0.00 3.58 5.03 0.16 -1.62 115.26 122.45 1wha n ASN 67 Ca -0.09 0.02 0.00 0.00 0.87 0.00 0.00 54.58 55.37 1wha n ASN 67 Cb 0.49 -4.09 0.00 0.00 -1.02 0.00 0.00 39.78 35.16 1wha n ASN 67 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1wha n GLY 68 N -1.01 0.50 3.22 7.41 0.00 -1.26 -5.02 105.19 109.02 1wha n GLY 68 Ca -0.20 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.00 3.22 -0.32 1.61 1.01 -0.64 -5.05 120.40 118.22 1wha s VAL 69 Ca 0.00 -1.17 -0.34 0.00 0.00 0.00 0.00 61.98 60.47 1wha s VAL 69 Cb 0.00 -2.77 -0.10 0.00 0.00 0.00 0.00 36.38 33.51 1wha s VAL 69 CO 0.00 -0.02 2.19 -0.67 0.00 0.00 0.00 175.10 176.59 1wha n ASP 70 N 4.70 2.34 -0.22 3.32 -0.08 -1.26 -1.69 116.55 123.66 1wha n ASP 70 Ca -0.14 0.39 0.07 0.00 -1.51 0.00 0.00 54.79 53.59 1wha n ASP 70 Cb 0.45 -1.31 0.12 0.00 2.34 0.00 0.00 41.12 42.72 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 7.26 1.63 -0.35 5.18 0.24 -1.00 -4.67 118.33 126.61 1wha n VAL 71 Ca 0.39 -1.75 0.15 0.00 -2.04 0.00 0.00 64.34 61.09 1wha n VAL 71 Cb 0.27 0.03 0.36 0.00 -1.47 0.00 0.00 33.84 33.02 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 0.44 0.64 0.00 3.34 1.35 -1.56 -2.14 112.91 114.98 1wha h THR 72 Ca 0.00 -0.23 -0.04 0.00 -0.55 0.00 0.00 66.41 65.59 1wha h THR 72 Cb 0.90 -0.09 -0.09 0.00 -1.73 0.00 0.00 68.15 67.14 1wha h THR 72 CO 0.03 0.12 -0.51 -0.62 -0.25 0.00 0.00 175.52 174.30 1wha n GLU 73 N -4.79 0.97 -2.86 4.72 -0.58 -1.26 -4.46 120.64 112.39 1wha n GLU 73 Ca 0.24 -2.57 -0.34 0.00 -0.42 0.00 0.00 57.16 54.07 1wha n GLU 73 Cb 0.65 -1.10 -0.07 0.00 -0.57 0.00 0.00 31.44 30.35 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 -2.05 3.12 0.80 0.62 0.00 -0.81 -4.91 121.76 118.54 1wha s ALA 74 Ca 0.31 0.37 -0.12 0.00 0.00 0.00 0.00 51.96 52.51 1wha s ALA 74 Cb 0.31 -3.10 0.08 0.00 0.00 0.00 0.00 23.12 20.42 1wha s ALA 74 CO -0.06 0.17 1.16 1.03 0.00 0.00 0.00 175.76 178.06 1wha s ARG 75 N -2.93 1.75 0.08 0.00 0.52 -1.26 -4.15 118.95 112.95 1wha s ARG 75 Ca 0.58 1.56 -0.29 0.00 -0.52 0.00 0.00 55.73 57.07 1wha s ARG 75 Cb -0.11 -1.81 -0.13 0.00 0.52 0.00 0.00 34.95 33.42 1wha s ARG 75 CO 0.16 -2.09 1.45 1.25 0.02 0.00 0.00 175.30 176.09 1wha h HIS 76 N -1.03 -1.21 -0.61 -0.53 -0.00 -1.87 0.13 115.15 110.03 1wha h HIS 76 Ca -0.45 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 59.96 1wha h HIS 76 Cb 1.27 0.49 -0.03 0.00 -0.00 0.00 0.00 27.41 29.14 1wha h HIS 76 CO 0.50 -0.52 0.40 -0.44 -0.00 0.00 0.00 177.93 177.87 1wha h ASP 77 N -0.71 0.67 -0.16 3.26 3.32 -1.93 -1.98 116.42 118.89 1wha h ASP 77 Ca -0.03 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.06 1wha h ASP 77 Cb 0.66 -0.16 -0.07 0.00 0.22 0.00 0.00 39.33 39.99 1wha h ASP 77 CO -0.15 0.48 -0.36 -0.74 -1.72 0.00 0.00 179.24 176.75 1wha h HIS 78 N 0.80 -1.00 -0.37 4.55 2.76 -1.84 -0.80 115.15 119.25 1wha h HIS 78 Ca 0.23 0.04 0.03 0.00 -2.20 0.00 0.00 60.37 58.48 1wha h HIS 78 Cb -0.05 0.46 -0.03 0.00 1.55 0.00 0.00 27.41 29.34 1wha h HIS 78 CO -0.04 -0.43 0.18 0.00 -1.30 0.00 0.00 177.93 176.34 1wha h ALA 79 N 0.35 0.45 -0.92 5.26 0.00 -0.78 -1.97 119.26 121.64 1wha h ALA 79 Ca 0.10 0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.20 1wha h ALA 79 Cb 0.57 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 1wha h ALA 79 CO -0.39 -0.19 0.59 0.28 0.00 0.00 0.00 179.25 179.54 1wha h VAL 80 N 0.37 0.75 -1.29 0.00 2.07 -0.64 -0.55 116.25 116.96 1wha h VAL 80 Ca 0.16 -0.21 0.37 0.00 0.82 0.00 0.00 66.70 67.84 1wha h VAL 80 Cb 0.07 0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 29.89 1wha h VAL 80 CO -0.11 0.11 1.17 -1.28 0.02 0.00 0.00 177.57 177.47 1wha h SER 81 N 0.60 0.00 0.31 0.57 0.87 -0.36 1.95 113.55 117.49 1wha h SER 81 Ca 0.49 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.80 1wha h SER 81 Cb 0.93 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.85 1wha h SER 81 CO -0.23 0.00 -1.90 0.18 -0.53 0.00 0.00 176.83 174.35 1wha n LEU 82 N -3.62 0.43 0.17 2.23 4.77 -0.22 -3.06 117.00 117.71 1wha n LEU 82 Ca 0.29 0.20 -0.13 0.00 -0.03 0.00 0.00 56.01 56.33 1wha n LEU 82 Cb 1.56 0.24 -0.08 0.00 -2.33 0.00 0.00 43.42 42.81 1wha n LEU 82 CO 0.33 0.30 0.52 -0.07 -1.33 0.00 0.00 177.39 177.13 1wha h LEU 83 N 0.00 -0.39 -0.53 2.23 3.38 0.30 -3.11 115.31 117.20 1wha h LEU 83 Ca -0.30 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1wha h LEU 83 Cb 1.82 0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.67 1wha h LEU 83 CO 0.04 -0.01 -0.01 1.07 0.09 0.00 0.00 178.44 179.62 1wha n THR 84 N -5.15 0.00 -0.93 0.22 5.66 -0.43 -4.85 114.28 108.80 1wha n THR 84 Ca -0.10 -0.14 -0.31 0.00 -3.05 0.00 0.00 64.05 60.45 1wha n THR 84 Cb 0.27 0.06 0.02 0.00 -1.55 0.00 0.00 70.33 69.14 1wha n THR 84 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wha n ALA 85 N -0.37 -4.03 -1.35 1.79 0.00 -1.17 -4.65 120.51 110.73 1wha n ALA 85 Ca 0.21 -0.33 -0.39 0.00 0.00 0.00 0.00 53.44 52.92 1wha n ALA 85 Cb 0.25 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.72 5.10 -3.53 0.00 0.00 -1.26 -4.81 120.51 114.30 1wha n ALA 86 Ca 0.02 -3.38 -0.12 0.00 0.00 0.00 0.00 53.44 49.96 1wha n ALA 86 Cb 0.44 -3.47 -0.11 0.00 0.00 0.00 0.00 19.45 16.31 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 3.59 -0.46 0.48 0.00 0.15 -1.26 -5.03 113.70 111.16 1wha s SER 87 Ca 0.53 0.83 0.26 0.00 0.70 0.00 0.00 55.95 58.27 1wha s SER 87 Cb 0.14 0.77 1.11 0.00 -1.71 0.00 0.00 66.02 66.33 1wha s SER 87 CO -0.02 -0.17 1.91 1.55 1.20 0.00 0.00 173.24 177.71 1wha h PRO 88 N 6.46 0.00 -6.50 5.44 0.13 -1.93 -3.41 132.00 132.19 1wha h PRO 88 Ca -0.33 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.11 1wha h PRO 88 Cb 1.18 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.04 1wha h PRO 88 CO 0.28 0.17 -0.84 0.95 -0.23 0.00 0.00 178.00 178.33 1wha s THR 89 N -3.77 2.46 0.00 1.56 -4.23 -1.26 -2.27 115.64 108.12 1wha s THR 89 Ca -0.00 -0.97 -0.03 0.00 -1.18 0.00 0.00 61.69 59.51 1wha s THR 89 Cb 0.11 -1.90 -0.01 0.00 1.34 0.00 0.00 72.50 72.04 1wha s THR 89 CO 0.61 0.58 0.05 -0.63 -0.54 0.00 0.00 174.62 174.69 1wha s ILE 90 N -0.67 0.07 -0.01 2.99 1.01 -1.25 -4.96 121.20 118.38 1wha s ILE 90 Ca 0.11 -0.58 0.07 0.00 0.00 0.00 0.00 60.65 60.25 1wha s ILE 90 Cb -0.10 -0.27 -0.02 0.00 0.01 0.00 0.00 42.46 42.08 1wha s ILE 90 CO -0.00 -0.32 -0.24 0.00 0.00 0.00 0.00 174.94 174.38 1wha s ALA 91 N -1.01 2.00 0.11 9.38 0.00 -1.26 -4.00 121.76 126.97 1wha s ALA 91 Ca -0.11 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 50.84 1wha s ALA 91 Cb -0.07 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 1wha s ALA 91 CO 0.00 0.49 -0.09 -0.51 0.00 0.00 0.00 175.76 175.65 1wha s LEU 92 N -0.61 2.47 -0.20 0.00 1.43 -1.14 -0.67 118.68 119.96 1wha s LEU 92 Ca 0.09 -0.93 0.01 0.00 -1.03 0.00 0.00 54.13 52.28 1wha s LEU 92 Cb -0.09 -0.23 0.04 0.00 0.03 0.00 0.00 46.19 45.94 1wha s LEU 92 CO -0.01 -0.35 -0.12 -0.22 0.23 0.00 0.00 176.35 175.89 1wha s LEU 93 N -2.83 2.39 0.15 1.79 0.20 -0.40 -3.20 118.68 116.78 1wha s LEU 93 Ca 0.10 -0.91 0.04 0.00 0.69 0.00 0.00 54.13 54.05 1wha s LEU 93 Cb 0.01 -1.30 -0.04 0.00 -0.43 0.00 0.00 46.19 44.44 1wha s LEU 93 CO -0.01 -0.13 0.15 -0.76 -0.29 0.00 0.00 176.35 175.31 1wha s LEU 94 N 1.35 3.90 -0.14 -0.68 1.43 -1.00 -0.20 118.68 123.34 1wha s LEU 94 Ca -0.01 -0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 1wha s LEU 94 Cb -0.16 -2.51 0.02 0.00 0.03 0.00 0.00 46.19 43.57 1wha s LEU 94 CO -0.08 0.08 -0.16 -0.70 0.23 0.00 0.00 176.35 175.71 1wha s GLU 95 N -3.03 2.47 -0.34 1.70 2.12 -1.00 -2.07 118.70 118.54 1wha s GLU 95 Ca 0.31 -0.64 -0.07 0.00 0.36 0.00 0.00 54.97 54.93 1wha s GLU 95 Cb -0.10 -2.14 0.04 0.00 0.26 0.00 0.00 34.13 32.18 1wha s GLU 95 CO 0.24 -0.14 0.13 0.50 -0.54 0.00 0.00 175.26 175.44 1wha s ARG 96 N 1.20 2.69 -0.25 4.30 3.52 -0.41 -4.30 118.95 125.69 1wha s ARG 96 Ca -0.01 -1.14 -0.22 0.00 -0.13 0.00 0.00 55.73 54.24 1wha s ARG 96 Cb -0.14 -3.51 -0.01 0.00 -1.56 0.00 0.00 34.95 29.72 1wha s ARG 96 CO -0.07 -0.66 0.69 -1.21 -0.81 0.00 0.00 175.30 173.24 1wha s GLU 97 N 1.44 4.12 -0.70 5.12 2.02 -1.26 -1.11 118.70 128.33 1wha s GLU 97 Ca -0.01 0.66 -0.26 0.00 0.02 0.00 0.00 54.97 55.38 1wha s GLU 97 Cb -0.19 -3.65 -0.02 0.00 0.10 0.00 0.00 34.13 30.36 1wha s GLU 97 CO 0.04 -0.46 1.85 0.00 0.02 0.00 0.00 175.26 176.71 1wha s ALA 98 N 2.62 2.08 -0.44 5.21 0.00 -1.26 -4.83 121.76 125.14 1wha s ALA 98 Ca 0.29 -0.93 0.09 0.00 0.00 0.00 0.00 51.96 51.41 1wha s ALA 98 Cb -0.15 -4.37 0.32 0.00 0.00 0.00 0.00 23.12 18.92 1wha s ALA 98 CO 0.08 -4.10 0.74 0.41 0.00 0.00 0.00 175.76 172.90 1wha n GLY 99 N 6.00 4.01 3.55 0.00 0.00 -1.26 -4.98 105.19 112.50 1wha n GLY 99 Ca 0.25 -1.99 -0.30 0.00 0.00 0.00 0.00 46.02 43.97 1wha n GLY 99 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wha s SER 100 N -2.44 4.24 0.00 1.61 0.01 -1.26 -5.04 113.70 110.82 1wha s SER 100 Ca 0.41 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.28 1wha s SER 100 Cb 0.29 -0.78 0.00 0.00 0.21 0.00 0.00 66.02 65.74 1wha s SER 100 CO -0.09 0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.37 1wha n GLY 101 N 0.95 -0.21 3.57 3.44 0.00 -1.26 -5.05 105.19 106.64 1wha n GLY 101 Ca -0.14 0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 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 2.54 -0.29 1.61 0.04 -1.26 -4.84 135.00 133.12 1wha s PRO 102 Ca 0.00 -0.54 -0.15 0.00 0.04 0.00 0.00 61.00 60.35 1wha s PRO 102 Cb 0.00 -5.11 0.14 0.00 0.04 0.00 0.00 34.50 29.56 1wha s PRO 102 CO 0.00 -3.55 0.90 0.45 0.04 0.00 0.00 177.00 174.84 1wha s SER 103 N 7.59 -0.65 -0.30 6.66 0.15 -1.26 -5.15 113.70 120.75 1wha s SER 103 Ca 0.70 0.99 -0.03 0.00 0.70 0.00 0.00 55.95 58.31 1wha s SER 103 Cb -0.05 1.42 0.18 0.00 -1.71 0.00 0.00 66.02 65.86 1wha s SER 103 CO 0.03 -0.15 0.64 -0.55 1.20 0.00 0.00 173.24 174.41 1wha s SER 104 N 1.74 -1.29 0.00 5.45 0.15 -1.26 -5.22 113.70 113.27 1wha s SER 104 Ca -0.08 0.91 0.00 0.00 0.70 0.00 0.00 55.95 57.48 1wha s SER 104 Cb -0.05 2.12 0.00 0.00 -1.71 0.00 0.00 66.02 66.38 1wha s SER 104 CO -0.17 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.64