#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 5.75 0.78 1.61 0.01 -1.26 -5.08 113.70 115.51 1wha s SER 2 Ca 0.00 -1.04 -0.14 0.00 1.31 0.00 0.00 55.95 56.09 1wha s SER 2 Cb 0.00 -2.03 0.07 0.00 0.21 0.00 0.00 66.02 64.27 1wha s SER 2 CO 0.00 -0.40 1.20 -0.55 0.41 0.00 0.00 173.24 173.90 1wha s SER 3 N 1.59 3.80 0.00 2.44 0.15 -1.26 -4.98 113.70 115.44 1wha s SER 3 Ca 0.02 2.34 0.00 0.00 0.70 0.00 0.00 55.95 59.01 1wha s SER 3 Cb -0.19 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 1wha s SER 3 CO 0.06 -2.53 0.00 0.61 1.20 0.00 0.00 173.24 172.59 1wha n GLY 4 N 0.38 2.46 3.92 9.45 0.00 -1.26 -5.12 105.19 115.02 1wha n GLY 4 Ca 0.13 0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 1wha n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wha s SER 5 N 2.00 5.82 1.06 1.61 1.04 -1.26 -4.80 113.70 119.17 1wha s SER 5 Ca 0.00 0.76 -0.17 0.00 0.48 0.00 0.00 55.95 57.03 1wha s SER 5 Cb 0.00 -1.87 0.14 0.00 0.10 0.00 0.00 66.02 64.39 1wha s SER 5 CO 0.00 -0.90 0.12 -1.20 0.98 0.00 0.00 173.24 172.25 1wha n SER 6 N -2.46 -2.82 -3.87 7.02 7.64 -1.26 -4.53 113.62 113.34 1wha n SER 6 Ca 0.03 -0.29 -0.30 0.00 1.01 0.00 0.00 58.87 59.31 1wha n SER 6 Cb 0.57 -0.82 -0.15 0.00 -1.01 0.00 0.00 64.21 62.79 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 -1.91 1.37 -0.00 0.23 0.00 0.15 -4.82 107.32 102.34 1wha s GLY 7 Ca 0.44 -1.83 -0.16 0.00 0.00 0.00 0.00 44.72 43.17 1wha s GLY 7 CO 0.47 1.25 0.44 0.50 0.00 0.00 0.00 173.10 175.76 1wha s ARG 8 N 1.36 4.01 0.33 2.90 0.52 -1.26 -2.24 118.95 124.57 1wha s ARG 8 Ca 0.06 0.46 0.06 0.00 -0.52 0.00 0.00 55.73 55.79 1wha s ARG 8 Cb -0.18 -3.25 -0.03 0.00 0.52 0.00 0.00 34.95 32.01 1wha s ARG 8 CO -0.15 0.62 0.30 -1.01 0.02 0.00 0.00 175.30 175.08 1wha s HIS 9 N -0.88 1.66 0.23 -0.53 3.76 -1.07 -5.02 115.29 113.43 1wha s HIS 9 Ca 0.25 -1.61 0.08 0.00 -0.15 0.00 0.00 55.06 53.63 1wha s HIS 9 Cb -0.17 -0.63 -0.05 0.00 1.11 0.00 0.00 32.58 32.84 1wha s HIS 9 CO 0.14 -0.90 -0.14 0.54 -0.85 0.00 0.00 174.74 173.52 1wha s VAL 10 N -3.41 1.86 -0.12 -0.90 0.11 -1.26 -2.55 120.40 114.13 1wha s VAL 10 Ca 0.39 -2.24 -0.05 0.00 -2.93 0.00 0.00 61.98 57.16 1wha s VAL 10 Cb 0.02 -2.14 0.06 0.00 -1.53 0.00 0.00 36.38 32.79 1wha s VAL 10 CO 0.26 -0.52 0.25 0.00 -3.33 0.00 0.00 175.10 171.76 1wha s ALA 11 N -2.90 -0.52 -0.31 1.54 0.00 -1.04 -4.96 121.76 113.57 1wha s ALA 11 Ca 0.25 0.92 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1wha s ALA 11 Cb -0.01 -0.87 0.07 0.00 0.00 0.00 0.00 23.12 22.30 1wha s ALA 11 CO 0.09 -0.49 0.01 0.00 0.00 0.00 0.00 175.76 175.37 1wha s LEU 13 N 1.14 3.21 -0.60 0.00 1.43 -1.25 -4.95 118.68 117.66 1wha s LEU 13 Ca -0.02 -0.71 -0.19 0.00 -1.03 0.00 0.00 54.13 52.18 1wha s LEU 13 Cb -0.20 -1.70 0.11 0.00 0.03 0.00 0.00 46.19 44.42 1wha s LEU 13 CO -0.04 -0.12 0.72 0.00 0.23 0.00 0.00 176.35 177.15 1wha s ALA 14 N -2.37 3.42 0.57 4.21 0.00 -1.26 -3.24 121.76 123.09 1wha s ALA 14 Ca 0.34 -2.25 -0.18 0.00 0.00 0.00 0.00 51.96 49.86 1wha s ALA 14 Cb -0.05 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.48 1wha s ALA 14 CO 0.21 -2.37 1.11 0.50 0.00 0.00 0.00 175.76 175.20 1wha s ARG 15 N 2.68 3.26 0.02 0.00 3.00 0.15 -4.89 118.95 123.18 1wha s ARG 15 Ca 0.12 1.51 0.00 0.00 -1.00 0.00 0.00 55.73 56.36 1wha s ARG 15 Cb -0.23 -2.00 -0.02 0.00 0.00 0.00 0.00 34.95 32.69 1wha s ARG 15 CO 0.06 -0.90 -0.04 -1.12 0.00 0.00 0.00 175.30 173.30 1wha s SER 16 N -2.06 0.33 0.41 -2.12 0.01 -1.26 -4.67 113.70 104.34 1wha s SER 16 Ca 0.70 -0.53 0.18 0.00 1.31 0.00 0.00 55.95 57.61 1wha s SER 16 Cb -0.22 0.10 1.09 0.00 0.21 0.00 0.00 66.02 67.19 1wha s SER 16 CO 0.30 -0.30 1.83 -0.08 0.41 0.00 0.00 173.24 175.40 1wha h GLU 17 N 4.56 0.40 0.00 12.44 4.57 -1.97 0.56 114.58 135.14 1wha h GLU 17 Ca -0.33 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 57.81 1wha h GLU 17 Cb 1.21 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.70 1wha h GLU 17 CO 0.42 0.26 -0.10 0.00 -1.18 0.00 0.00 179.01 178.42 1wha h ARG 18 N 0.41 0.00 0.00 1.92 2.47 -2.02 -3.47 114.38 113.69 1wha h ARG 18 Ca 0.51 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.23 1wha h ARG 18 Cb 1.27 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.59 1wha h ARG 18 CO -0.21 0.10 0.00 0.41 0.56 0.00 0.00 179.97 180.83 1wha n GLY 19 N -0.94 3.08 0.00 0.04 0.00 0.20 -5.00 105.19 102.57 1wha n GLY 19 Ca -0.02 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 0.00 0.99 4.77 -1.24 -4.69 117.00 116.83 1wha n LEU 20 Ca 0.00 0.68 0.00 0.00 -0.03 0.00 0.00 56.01 56.66 1wha n LEU 20 Cb 0.00 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1wha n LEU 20 CO 0.00 -0.32 0.00 0.61 -1.33 0.00 0.00 177.39 176.35 1wha n GLY 21 N -0.99 0.63 3.80 -0.72 0.00 -1.26 -4.80 105.19 101.86 1wha n GLY 21 Ca 0.00 0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 3.17 0.43 1.61 -0.12 -1.26 -3.67 117.98 118.14 1wha s PHE 22 Ca 0.00 1.61 0.07 0.00 -0.05 0.00 0.00 56.93 58.56 1wha s PHE 22 Cb 0.00 -2.99 -0.03 0.00 -0.63 0.00 0.00 43.02 39.37 1wha s PHE 22 CO 0.00 -0.49 0.28 0.45 -0.05 0.00 0.00 175.22 175.41 1wha s SER 23 N -1.99 4.70 0.18 1.98 0.15 0.14 -4.95 113.70 113.91 1wha s SER 23 Ca 0.64 -0.96 0.08 0.00 0.70 0.00 0.00 55.95 56.40 1wha s SER 23 Cb -0.14 -0.42 -0.04 0.00 -1.71 0.00 0.00 66.02 63.70 1wha s SER 23 CO 0.18 -0.64 -0.16 0.27 1.20 0.00 0.00 173.24 174.08 1wha s ILE 24 N -2.57 1.76 0.05 6.45 -4.36 -1.26 -3.14 121.20 118.13 1wha s ILE 24 Ca 0.43 -2.03 -0.14 0.00 -0.26 0.00 0.00 60.65 58.65 1wha s ILE 24 Cb 0.00 -1.91 0.02 0.00 1.25 0.00 0.00 42.46 41.83 1wha s ILE 24 CO 0.24 -0.44 0.32 0.00 0.24 0.00 0.00 174.94 175.31 1wha s ALA 25 N -2.43 -0.72 0.00 2.27 0.00 -0.66 -4.72 121.76 115.50 1wha s ALA 25 Ca 0.18 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.17 1wha s ALA 25 Cb -0.04 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.42 1wha s ALA 25 CO 0.07 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.81 1wha n GLY 26 N 0.53 2.12 3.07 0.00 0.00 -0.52 -0.09 105.19 110.30 1wha n GLY 26 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.42 -3.86 0.18 -0.02 0.00 -1.09 -4.13 105.19 95.86 1wha n GLY 27 Ca 0.00 -0.66 -0.15 0.00 0.00 0.00 0.00 46.02 45.22 1wha n GLY 27 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wha h LYS 28 N -1.14 -0.38 -0.99 1.61 1.57 -1.85 -2.49 116.57 112.90 1wha h LYS 28 Ca -0.43 0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.25 1wha h LYS 28 Cb 1.32 0.09 -0.07 0.00 0.08 0.00 0.00 32.23 33.64 1wha h LYS 28 CO 0.25 -0.23 0.15 0.41 -0.57 0.00 0.00 179.45 179.46 1wha n GLY 29 N -1.18 2.56 1.83 3.86 0.00 -1.26 -4.85 105.19 106.15 1wha n GLY 29 Ca -0.10 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 1wha n GLY 29 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wha n SER 30 N 0.09 0.24 -4.73 1.61 2.88 -0.94 -4.92 113.62 107.85 1wha n SER 30 Ca 0.15 -2.22 -0.41 0.00 -1.33 0.00 0.00 58.87 55.05 1wha n SER 30 Cb 0.77 0.78 -0.04 0.00 -0.75 0.00 0.00 64.21 64.98 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 -2.60 3.78 -0.99 2.46 2.01 -1.26 -4.74 115.64 114.29 1wha s THR 31 Ca 0.18 1.49 -0.24 0.00 0.31 0.00 0.00 61.69 63.43 1wha s THR 31 Cb 0.01 -3.95 -0.06 0.00 0.01 0.00 0.00 72.50 68.51 1wha s THR 31 CO 0.12 0.23 1.95 -2.16 -0.69 0.00 0.00 174.62 174.07 1wha s PRO 32 N -0.15 2.53 0.55 4.92 0.04 -1.26 -1.44 135.00 140.19 1wha s PRO 32 Ca 0.52 -0.57 0.39 0.00 0.04 0.00 0.00 61.00 61.38 1wha s PRO 32 Cb -0.31 -5.12 1.35 0.00 0.04 0.00 0.00 34.50 30.46 1wha s PRO 32 CO 0.35 -3.59 1.40 0.98 0.04 0.00 0.00 177.00 176.18 1wha n TYR 33 N 14.14 0.00 -3.74 0.56 9.36 -1.26 -3.98 117.16 132.24 1wha n TYR 33 Ca 0.42 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.49 1wha n TYR 33 Cb 0.47 -0.38 -0.15 0.00 -0.63 0.00 0.00 39.34 38.64 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 -4.60 0.06 -0.34 2.98 0.52 -1.26 -5.04 118.95 111.26 1wha s ARG 34 Ca -0.04 0.38 -0.33 0.00 -0.52 0.00 0.00 55.73 55.22 1wha s ARG 34 Cb 0.21 -0.21 -0.10 0.00 0.52 0.00 0.00 34.95 35.37 1wha s ARG 34 CO 0.69 -0.19 2.23 0.00 0.02 0.00 0.00 175.30 178.05 1wha n ALA 35 N 4.42 1.22 -0.82 2.13 0.00 -1.26 -0.67 120.51 125.54 1wha n ALA 35 Ca -0.23 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1wha n ALA 35 Cb 0.51 -2.67 0.00 0.00 0.00 0.00 0.00 19.45 17.29 1wha n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wha n GLY 36 N 6.33 1.28 3.00 0.00 0.00 -1.26 -5.09 105.19 109.45 1wha n GLY 36 Ca 0.39 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.42 1.54 -0.30 1.61 -1.08 0.16 -5.02 116.67 111.15 1wha s ASP 37 Ca 0.00 -0.25 0.08 0.00 -0.52 0.00 0.00 52.55 51.86 1wha s ASP 37 Cb 0.00 -0.66 0.48 0.00 -1.46 0.00 0.00 42.92 41.28 1wha s ASP 37 CO 0.00 0.03 1.42 0.00 0.52 0.00 0.00 175.17 177.14 1wha n ALA 38 N 3.73 4.47 -2.16 3.66 0.00 -1.26 -4.70 120.51 124.26 1wha n ALA 38 Ca -0.22 -3.30 0.00 0.00 0.00 0.00 0.00 53.44 49.91 1wha n ALA 38 Cb 0.52 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.29 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 -1.05 2.66 2.73 0.00 0.00 -1.26 -4.44 105.19 103.83 1wha n GLY 39 Ca 0.35 -1.98 -0.18 0.00 0.00 0.00 0.00 46.02 44.21 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 2.26 -0.13 0.02 -0.61 1.01 -1.26 -2.66 121.20 119.83 1wha s ILE 40 Ca 0.00 0.37 0.03 0.00 0.00 0.00 0.00 60.65 61.05 1wha s ILE 40 Cb 0.00 -0.17 -0.01 0.00 0.01 0.00 0.00 42.46 42.29 1wha s ILE 40 CO 0.00 0.15 -0.10 -0.36 0.00 0.00 0.00 174.94 174.64 1wha s PHE 41 N 1.97 0.85 -0.02 3.97 0.40 0.87 -0.16 117.98 125.86 1wha s PHE 41 Ca 0.02 -0.26 -0.33 0.00 -0.60 0.00 0.00 56.93 55.76 1wha s PHE 41 Cb -0.12 -0.52 -0.11 0.00 0.51 0.00 0.00 43.02 42.78 1wha s PHE 41 CO -0.04 -0.01 1.90 0.28 0.70 0.00 0.00 175.22 178.05 1wha n VAL 42 N 2.35 0.61 -0.07 -0.44 0.31 -1.03 -1.65 118.33 118.41 1wha n VAL 42 Ca -0.16 -0.11 -0.06 0.00 -0.01 0.00 0.00 64.34 64.00 1wha n VAL 42 Cb 0.56 -2.03 -0.16 0.00 -0.91 0.00 0.00 33.84 31.30 1wha n VAL 42 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1wha n SER 43 N 6.75 0.11 -3.81 4.52 3.41 -1.19 -2.10 113.62 121.32 1wha n SER 43 Ca 0.21 0.05 -0.12 0.00 -0.26 0.00 0.00 58.87 58.76 1wha n SER 43 Cb 0.34 1.03 -0.09 0.00 -0.26 0.00 0.00 64.21 65.23 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 0.62 -0.03 4.33 6.06 -1.26 -4.94 118.95 121.04 1wha s ARG 44 Ca -0.09 -0.36 0.01 0.00 -2.50 0.00 0.00 55.73 52.79 1wha s ARG 44 Cb 0.08 0.27 0.02 0.00 0.06 0.00 0.00 34.95 35.37 1wha s ARG 44 CO 0.84 -0.17 -0.03 0.42 -2.50 0.00 0.00 175.30 173.86 1wha s ILE 45 N -1.65 0.41 -0.52 4.11 1.01 -1.26 -0.68 121.20 122.61 1wha s ILE 45 Ca -0.12 -0.07 -0.26 0.00 0.00 0.00 0.00 60.65 60.20 1wha s ILE 45 Cb -0.05 -0.44 -0.08 0.00 0.01 0.00 0.00 42.46 41.90 1wha s ILE 45 CO 0.01 0.18 2.43 0.00 0.00 0.00 0.00 174.94 177.57 1wha n ALA 46 N 3.92 0.74 -1.74 9.38 0.00 -1.24 -4.87 120.51 126.70 1wha n ALA 46 Ca -0.25 -0.96 -0.42 0.00 0.00 0.00 0.00 53.44 51.82 1wha n ALA 46 Cb 0.52 -3.20 -0.03 0.00 0.00 0.00 0.00 19.45 16.74 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 8.35 3.01 0.00 0.00 2.12 -1.26 -1.43 118.70 129.49 1wha s GLU 47 Ca 0.99 1.67 0.00 0.00 0.36 0.00 0.00 54.97 57.99 1wha s GLU 47 Cb -0.19 -4.35 0.00 0.00 0.26 0.00 0.00 34.13 29.84 1wha s GLU 47 CO 0.26 -2.24 0.00 0.41 -0.54 0.00 0.00 175.26 173.14 1wha n GLY 48 N 5.70 2.32 0.00 -1.50 0.00 -1.26 -5.06 105.19 105.38 1wha n GLY 48 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.46 -1.72 0.08 -0.02 0.00 -0.51 -4.68 105.19 97.88 1wha n GLY 49 Ca 0.00 -1.36 -0.11 0.00 0.00 0.00 0.00 46.02 44.55 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 0.27 -0.22 4.61 0.00 -1.87 -2.74 119.26 117.31 1wha h ALA 50 Ca 0.00 -0.94 0.02 0.00 0.00 0.00 0.00 54.91 53.99 1wha h ALA 50 Cb 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1wha h ALA 50 CO 0.00 1.15 0.08 0.00 0.00 0.00 0.00 179.25 180.49 1wha h ALA 51 N 0.80 0.25 0.18 0.00 0.00 -1.89 -0.91 119.26 117.68 1wha h ALA 51 Ca -0.09 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1wha h ALA 51 Cb 1.88 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.67 1wha h ALA 51 CO 0.16 -0.34 -0.08 1.25 0.00 0.00 0.00 179.25 180.24 1wha h HIS 52 N 0.19 -0.22 -0.86 0.00 6.17 -1.67 -3.30 115.15 115.46 1wha h HIS 52 Ca 0.10 -0.01 0.22 0.00 0.71 0.00 0.00 60.37 61.39 1wha h HIS 52 Cb 0.06 0.07 -0.15 0.00 2.52 0.00 0.00 27.41 29.91 1wha h HIS 52 CO -0.12 0.19 0.12 -0.09 0.71 0.00 0.00 177.93 178.74 1wha h ARG 53 N -0.90 0.12 -0.75 5.26 2.43 -1.49 -1.52 114.38 117.54 1wha h ARG 53 Ca -0.02 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.21 1wha h ARG 53 Cb 0.51 -0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 29.94 1wha h ARG 53 CO 0.04 0.08 -0.44 0.00 -1.51 0.00 0.00 179.97 178.14 1wha n ALA 54 N -2.88 -0.48 0.00 2.80 0.00 -0.35 -4.82 120.51 114.78 1wha n ALA 54 Ca 0.19 0.63 0.00 0.00 0.00 0.00 0.00 53.44 54.27 1wha n ALA 54 Cb 0.64 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 -1.19 3.16 2.20 0.00 0.00 -0.58 -4.90 105.19 103.89 1wha n GLY 55 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.33 3.23 -3.71 2.61 -2.24 -1.26 -4.87 114.28 106.71 1wha n THR 56 Ca 0.00 -2.08 -0.15 0.00 -2.27 0.00 0.00 64.05 59.56 1wha n THR 56 Cb 0.00 -0.54 -0.15 0.00 -2.10 0.00 0.00 70.33 67.54 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 -3.36 0.31 -0.03 3.22 1.43 -1.26 -4.95 118.68 114.04 1wha s LEU 57 Ca 0.57 0.34 -0.09 0.00 -1.03 0.00 0.00 54.13 53.93 1wha s LEU 57 Cb 0.48 0.37 0.01 0.00 0.03 0.00 0.00 46.19 47.08 1wha s LEU 57 CO 0.09 -0.20 0.21 0.00 0.23 0.00 0.00 176.35 176.69 1wha s GLN 58 N 1.72 0.45 -0.63 1.70 -2.07 -1.26 -4.84 119.66 114.72 1wha s GLN 58 Ca -0.03 -0.09 -0.26 0.00 -1.82 0.00 0.00 55.36 53.15 1wha s GLN 58 Cb -0.12 0.20 -0.11 0.00 -1.09 0.00 0.00 33.01 31.89 1wha s GLN 58 CO -0.06 -0.10 2.45 0.28 -1.32 0.00 0.00 175.29 176.54 1wha n VAL 59 N 1.95 -0.06 0.00 3.63 0.31 -1.26 -2.22 118.33 120.68 1wha n VAL 59 Ca -0.19 -0.63 0.00 0.00 -0.01 0.00 0.00 64.34 63.51 1wha n VAL 59 Cb 0.57 -2.26 0.00 0.00 -0.91 0.00 0.00 33.84 31.24 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 6.20 2.40 3.71 2.92 0.00 -0.89 -4.94 105.19 114.58 1wha n GLY 60 Ca 0.44 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 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 3.57 -4.77 1.61 8.00 -0.94 -4.62 116.55 119.40 1wha n ASP 61 Ca 0.00 1.11 -0.38 0.00 0.71 0.00 0.00 54.79 56.23 1wha n ASP 61 Cb 0.00 -1.53 -0.06 0.00 -0.02 0.00 0.00 41.12 39.51 1wha n ASP 61 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1wha s ARG 62 N 0.24 4.25 -0.68 -1.24 3.52 -1.26 -2.48 118.95 121.30 1wha s ARG 62 Ca 0.70 0.62 -0.22 0.00 -0.13 0.00 0.00 55.73 56.70 1wha s ARG 62 Cb -0.56 -3.34 0.08 0.00 -1.56 0.00 0.00 34.95 29.57 1wha s ARG 62 CO 0.42 0.39 0.95 0.08 -0.81 0.00 0.00 175.30 176.33 1wha s VAL 63 N -0.20 4.42 0.08 7.11 1.01 0.77 -2.74 120.40 130.85 1wha s VAL 63 Ca 0.29 -0.55 -0.19 0.00 0.00 0.00 0.00 61.98 61.53 1wha s VAL 63 Cb -0.17 -4.67 -0.09 0.00 0.00 0.00 0.00 36.38 31.44 1wha s VAL 63 CO 0.15 -1.43 1.50 -0.07 0.00 0.00 0.00 175.10 175.25 1wha h LEU 64 N 11.11 0.42 -8.37 3.92 3.38 -1.45 -3.37 115.31 120.95 1wha h LEU 64 Ca -0.25 -0.33 -0.17 0.00 0.09 0.00 0.00 57.88 57.22 1wha h LEU 64 Cb 1.07 -0.11 -0.15 0.00 0.09 0.00 0.00 40.66 41.56 1wha h LEU 64 CO 1.17 0.65 -0.63 -0.94 0.09 0.00 0.00 178.44 178.78 1wha s SER 65 N -5.96 0.31 -0.23 -0.43 1.04 -1.26 -1.73 113.70 105.45 1wha s SER 65 Ca -0.14 -1.15 -0.04 0.00 0.48 0.00 0.00 55.95 55.10 1wha s SER 65 Cb 0.07 0.29 0.08 0.00 0.10 0.00 0.00 66.02 66.56 1wha s SER 65 CO 0.75 -0.72 0.10 -0.63 0.98 0.00 0.00 173.24 173.71 1wha s ILE 66 N -4.02 0.11 -0.95 -1.02 1.01 0.51 -2.24 121.20 114.60 1wha s ILE 66 Ca 0.21 -0.55 -0.00 0.00 0.00 0.00 0.00 60.65 60.30 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 -0.00 -0.46 0.05 -3.20 0.00 0.00 0.00 174.94 171.32 1wha n ASN 67 N 5.19 -3.71 0.00 3.58 4.05 0.10 -2.74 115.26 121.73 1wha n ASN 67 Ca -0.07 -0.03 0.00 0.00 0.45 0.00 0.00 54.58 54.93 1wha n ASN 67 Cb 0.46 -2.89 0.00 0.00 1.23 0.00 0.00 39.78 38.57 1wha n ASN 67 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1wha n GLY 68 N -1.03 0.59 3.18 8.20 0.00 -1.26 -4.97 105.19 109.90 1wha n GLY 68 Ca -0.12 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 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 1.79 -0.14 1.61 1.01 -1.11 -5.10 120.40 116.46 1wha s VAL 69 Ca 0.00 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 1wha s VAL 69 Cb 0.00 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 1wha s VAL 69 CO 0.00 0.50 1.48 -0.62 0.00 0.00 0.00 175.10 176.46 1wha s ASP 70 N 0.30 6.71 0.00 3.32 -1.08 -1.26 -0.36 116.67 124.30 1wha s ASP 70 Ca -0.14 1.85 0.00 0.00 -0.52 0.00 0.00 52.55 53.74 1wha s ASP 70 Cb -0.16 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.76 1wha s ASP 70 CO 0.06 -0.94 0.59 1.33 0.52 0.00 0.00 175.17 176.74 1wha n VAL 71 N 5.67 0.35 -0.37 1.11 0.24 -0.73 -4.72 118.33 119.88 1wha n VAL 71 Ca 0.16 -0.46 -0.04 0.00 -2.04 0.00 0.00 64.34 61.96 1wha n VAL 71 Cb 0.44 0.99 -0.00 0.00 -1.47 0.00 0.00 33.84 33.80 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 0.97 0.02 -0.33 3.34 1.35 -1.50 0.49 112.91 117.24 1wha h THR 72 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1wha h THR 72 Cb 0.53 0.02 0.00 0.00 -1.73 0.00 0.00 68.15 66.96 1wha h THR 72 CO 0.00 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.65 1wha n GLU 73 N -5.41 3.12 -1.26 4.72 1.02 -1.26 -4.13 120.64 117.44 1wha n GLU 73 Ca 0.07 -2.68 -0.31 0.00 -0.02 0.00 0.00 57.16 54.23 1wha n GLU 73 Cb 0.36 -1.74 0.10 0.00 -0.02 0.00 0.00 31.44 30.15 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 -2.30 2.06 0.53 0.62 0.00 0.16 -4.94 121.76 117.89 1wha s ALA 74 Ca 0.39 0.15 -0.17 0.00 0.00 0.00 0.00 51.96 52.33 1wha s ALA 74 Cb 0.29 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 20.10 1wha s ALA 74 CO 0.12 -1.92 1.00 1.03 0.00 0.00 0.00 175.76 175.99 1wha s ARG 75 N -4.92 3.80 0.04 0.00 0.52 -1.26 -4.18 118.95 112.95 1wha s ARG 75 Ca 0.62 1.04 -0.13 0.00 -0.52 0.00 0.00 55.73 56.75 1wha s ARG 75 Cb -0.17 -2.11 -0.05 0.00 0.52 0.00 0.00 34.95 33.14 1wha s ARG 75 CO 0.56 -0.40 1.20 1.25 0.02 0.00 0.00 175.30 177.93 1wha h HIS 76 N 0.87 -0.61 -0.98 -0.53 -0.00 -1.91 0.24 115.15 112.22 1wha h HIS 76 Ca -0.47 0.02 0.19 0.00 -0.00 0.00 0.00 60.37 60.11 1wha h HIS 76 Cb 1.19 0.28 -0.10 0.00 -0.00 0.00 0.00 27.41 28.79 1wha h HIS 76 CO 0.62 -0.20 0.61 -0.44 -0.00 0.00 0.00 177.93 178.53 1wha h ASP 77 N -0.20 0.71 0.38 3.26 5.19 -1.94 -0.66 116.42 123.16 1wha h ASP 77 Ca 0.02 0.08 -0.02 0.00 -0.62 0.00 0.00 57.03 56.49 1wha h ASP 77 Cb 0.25 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.71 1wha h ASP 77 CO -0.18 0.27 -0.19 -0.74 -3.12 0.00 0.00 179.24 175.27 1wha h HIS 78 N 0.70 -0.51 -0.55 4.55 2.76 -1.56 -0.57 115.15 119.98 1wha h HIS 78 Ca 0.55 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.71 1wha h HIS 78 Cb 0.94 0.17 -0.03 0.00 1.55 0.00 0.00 27.41 30.04 1wha h HIS 78 CO -0.00 -0.31 0.36 0.00 -1.30 0.00 0.00 177.93 176.68 1wha h ALA 79 N 0.09 1.62 -0.46 5.26 0.00 0.37 -2.37 119.26 123.77 1wha h ALA 79 Ca -0.05 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1wha h ALA 79 Cb 0.41 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1wha h ALA 79 CO 0.07 0.35 0.02 0.28 0.00 0.00 0.00 179.25 179.98 1wha h VAL 80 N 0.73 1.26 -1.06 0.00 2.07 -0.79 -2.69 116.25 115.77 1wha h VAL 80 Ca 0.20 -1.02 0.31 0.00 0.82 0.00 0.00 66.70 67.01 1wha h VAL 80 Cb -0.08 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1wha h VAL 80 CO -0.04 0.36 1.01 -1.28 0.02 0.00 0.00 177.57 177.63 1wha h SER 81 N 0.66 0.00 0.27 0.57 0.87 -0.55 1.34 113.55 116.71 1wha h SER 81 Ca 0.13 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.39 1wha h SER 81 Cb 0.48 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.38 1wha h SER 81 CO 0.02 0.00 -2.00 0.18 -0.53 0.00 0.00 176.83 174.50 1wha n LEU 82 N -3.61 0.44 0.00 2.23 4.77 -1.04 -3.25 117.00 116.54 1wha n LEU 82 Ca 0.23 0.21 -0.09 0.00 -0.03 0.00 0.00 56.01 56.33 1wha n LEU 82 Cb 1.35 0.30 -0.07 0.00 -2.33 0.00 0.00 43.42 42.67 1wha n LEU 82 CO 0.31 0.39 0.29 -0.07 -1.33 0.00 0.00 177.39 176.97 1wha h LEU 83 N 0.00 -0.10 -0.74 2.23 3.38 0.17 -3.27 115.31 116.97 1wha h LEU 83 Ca -0.38 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.18 1wha h LEU 83 Cb 2.03 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.81 1wha h LEU 83 CO 0.05 0.55 0.00 0.35 0.09 0.00 0.00 178.44 179.48 1wha n THR 84 N -4.82 0.28 -0.66 0.22 -2.24 0.14 -4.92 114.28 102.28 1wha n THR 84 Ca -0.06 -0.24 -0.31 0.00 -2.27 0.00 0.00 64.05 61.16 1wha n THR 84 Cb 0.25 0.06 0.17 0.00 -2.10 0.00 0.00 70.33 68.70 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 0.03 -3.95 -0.43 6.98 0.00 -1.20 -4.82 120.51 117.12 1wha n ALA 85 Ca 0.06 -1.30 -0.12 0.00 0.00 0.00 0.00 53.44 52.08 1wha n ALA 85 Cb 0.18 -1.42 0.05 0.00 0.00 0.00 0.00 19.45 18.25 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 -4.45 4.42 -2.44 0.00 0.00 -1.26 -4.87 120.51 111.91 1wha n ALA 86 Ca 0.01 -1.24 -0.32 0.00 0.00 0.00 0.00 53.44 51.88 1wha n ALA 86 Cb 0.60 -1.25 -0.14 0.00 0.00 0.00 0.00 19.45 18.67 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 0.37 3.82 0.11 0.00 0.01 -1.26 -5.04 113.70 111.71 1wha s SER 87 Ca 0.24 -0.27 -0.13 0.00 1.31 0.00 0.00 55.95 57.10 1wha s SER 87 Cb 0.19 -0.73 -0.07 0.00 0.21 0.00 0.00 66.02 65.62 1wha s SER 87 CO 0.01 0.33 1.44 1.55 0.41 0.00 0.00 173.24 176.99 1wha h PRO 88 N 5.31 0.79 -5.75 12.44 0.13 -1.89 -3.41 132.00 139.62 1wha h PRO 88 Ca -0.46 -0.41 -0.67 0.00 -0.87 0.00 0.00 66.00 63.59 1wha h PRO 88 Cb 1.15 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.19 1wha h PRO 88 CO 0.49 1.04 -0.53 0.95 -0.23 0.00 0.00 178.00 179.73 1wha s THR 89 N -4.38 5.07 -0.17 1.56 -4.23 -1.26 0.29 115.64 112.52 1wha s THR 89 Ca -0.12 0.04 -0.05 0.00 -1.18 0.00 0.00 61.69 60.39 1wha s THR 89 Cb 0.10 -3.19 0.06 0.00 1.34 0.00 0.00 72.50 70.81 1wha s THR 89 CO 0.85 0.61 0.11 -0.63 -0.54 0.00 0.00 174.62 175.02 1wha s ILE 90 N -0.93 -0.13 0.20 2.99 1.01 -1.20 -4.96 121.20 118.18 1wha s ILE 90 Ca 0.14 -0.13 -0.28 0.00 0.00 0.00 0.00 60.65 60.37 1wha s ILE 90 Cb -0.12 -0.57 -0.08 0.00 0.01 0.00 0.00 42.46 41.70 1wha s ILE 90 CO 0.03 -0.25 0.89 0.00 0.00 0.00 0.00 174.94 175.60 1wha s ALA 91 N 2.17 3.37 -0.02 9.38 0.00 -1.26 -3.83 121.76 131.57 1wha s ALA 91 Ca 0.03 0.53 0.03 0.00 0.00 0.00 0.00 51.96 52.54 1wha s ALA 91 Cb -0.16 -3.13 -0.00 0.00 0.00 0.00 0.00 23.12 19.83 1wha s ALA 91 CO -0.09 0.21 -0.11 -0.51 0.00 0.00 0.00 175.76 175.26 1wha s LEU 92 N -1.02 1.89 -0.46 0.00 1.43 -0.97 0.03 118.68 119.59 1wha s LEU 92 Ca 0.40 -0.21 -0.12 0.00 -1.03 0.00 0.00 54.13 53.17 1wha s LEU 92 Cb -0.25 -0.60 0.09 0.00 0.03 0.00 0.00 46.19 45.46 1wha s LEU 92 CO 0.30 0.10 0.34 -0.22 0.23 0.00 0.00 176.35 177.10 1wha s LEU 93 N -0.00 5.49 0.07 1.79 0.20 -0.95 -2.50 118.68 122.77 1wha s LEU 93 Ca -0.00 -1.50 -0.11 0.00 0.69 0.00 0.00 54.13 53.21 1wha s LEU 93 Cb -0.07 -2.09 -0.06 0.00 -0.43 0.00 0.00 46.19 43.54 1wha s LEU 93 CO 0.00 -0.63 0.41 -0.76 -0.29 0.00 0.00 176.35 175.08 1wha s LEU 94 N 1.52 4.37 -0.29 -0.68 1.43 -1.06 -1.15 118.68 122.82 1wha s LEU 94 Ca 0.04 0.83 0.02 0.00 -1.03 0.00 0.00 54.13 53.99 1wha s LEU 94 Cb -0.24 -2.92 0.07 0.00 0.03 0.00 0.00 46.19 43.13 1wha s LEU 94 CO 0.04 0.20 -0.04 -0.70 0.23 0.00 0.00 176.35 176.08 1wha s GLU 95 N -1.76 2.04 -0.06 1.70 2.12 -1.11 -2.61 118.70 119.02 1wha s GLU 95 Ca 0.31 -1.51 -0.07 0.00 0.36 0.00 0.00 54.97 54.07 1wha s GLU 95 Cb -0.14 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 31.16 1wha s GLU 95 CO 0.17 -0.70 0.19 0.50 -0.54 0.00 0.00 175.26 174.88 1wha s ARG 96 N 1.06 3.50 -0.31 4.30 3.52 -0.95 -4.26 118.95 125.81 1wha s ARG 96 Ca -0.02 -0.12 -0.20 0.00 -0.13 0.00 0.00 55.73 55.26 1wha s ARG 96 Cb -0.20 -3.15 -0.01 0.00 -1.56 0.00 0.00 34.95 30.03 1wha s ARG 96 CO -0.05 0.73 0.62 -1.21 -0.81 0.00 0.00 175.30 174.57 1wha s GLU 97 N -1.36 3.86 -0.70 5.12 8.01 -1.26 -0.67 118.70 131.69 1wha s GLU 97 Ca 0.21 0.23 -0.10 0.00 0.01 0.00 0.00 54.97 55.32 1wha s GLU 97 Cb -0.13 -3.74 0.18 0.00 -4.31 0.00 0.00 34.13 26.14 1wha s GLU 97 CO 0.10 -0.59 0.60 0.00 0.01 0.00 0.00 175.26 175.38 1wha s ALA 98 N 2.59 3.82 0.00 5.21 0.00 -1.26 -4.91 121.76 127.21 1wha s ALA 98 Ca 0.24 -3.14 0.00 0.00 0.00 0.00 0.00 51.96 49.06 1wha s ALA 98 Cb -0.15 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1wha s ALA 98 CO 0.12 -2.16 0.00 0.41 0.00 0.00 0.00 175.76 174.13 1wha n GLY 99 N 4.06 3.87 2.87 0.00 0.00 -1.26 -4.13 105.19 110.60 1wha n GLY 99 Ca 0.07 -1.57 -0.14 0.00 0.00 0.00 0.00 46.02 44.38 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 0.26 0.22 0.00 1.61 0.15 -1.26 -4.77 113.70 109.91 1wha s SER 100 Ca 0.00 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.63 1wha s SER 100 Cb 0.00 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.25 1wha s SER 100 CO 0.00 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.04 1wha n GLY 101 N 3.33 0.73 3.69 9.45 0.00 -1.26 -5.13 105.19 116.01 1wha n GLY 101 Ca -0.16 -1.75 -0.29 0.00 0.00 0.00 0.00 46.02 43.82 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 -2.00 0.62 -0.39 1.61 0.04 -1.26 -4.97 135.00 128.66 1wha s PRO 102 Ca 0.00 0.60 -0.28 0.00 0.04 0.00 0.00 61.00 61.36 1wha s PRO 102 Cb 0.00 -1.75 0.02 0.00 0.04 0.00 0.00 34.50 32.81 1wha s PRO 102 CO 0.00 -2.62 1.06 -1.12 0.04 0.00 0.00 177.00 174.36 1wha s SER 103 N -3.44 6.77 -0.60 6.66 0.01 -1.26 -4.92 113.70 116.92 1wha s SER 103 Ca 0.65 0.73 -0.02 0.00 1.31 0.00 0.00 55.95 58.62 1wha s SER 103 Cb -0.18 -2.52 0.37 0.00 0.21 0.00 0.00 66.02 63.90 1wha s SER 103 CO 0.57 -1.00 2.06 -1.20 0.41 0.00 0.00 173.24 174.09 1wha n SER 104 N 7.17 7.39 0.00 2.44 7.64 -1.26 -5.32 113.62 131.69 1wha n SER 104 Ca 0.11 -3.62 0.00 0.00 1.01 0.00 0.00 58.87 56.37 1wha n SER 104 Cb 0.48 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 1wha n SER 104 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64