#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wha h SER 2 N 0.00 0.11 -4.06 1.61 0.87 -2.04 -3.45 113.55 106.59 1wha h SER 2 Ca 0.00 -0.50 -0.49 0.00 -1.23 0.00 0.00 61.79 59.57 1wha h SER 2 Cb 0.00 -0.03 0.04 0.00 -0.44 0.00 0.00 62.40 61.97 1wha h SER 2 CO 0.00 0.59 0.41 -0.44 -0.53 0.00 0.00 176.83 176.86 1wha s SER 3 N -5.83 6.15 0.00 6.23 0.01 -1.26 -4.85 113.70 114.15 1wha s SER 3 Ca -0.16 2.06 0.00 0.00 1.31 0.00 0.00 55.95 59.16 1wha s SER 3 Cb 0.02 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1wha s SER 3 CO 0.70 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 174.04 1wha n GLY 4 N 0.01 0.11 3.35 3.44 0.00 -1.26 -5.13 105.19 105.72 1wha n GLY 4 Ca 0.09 -0.61 -0.18 0.00 0.00 0.00 0.00 46.02 45.33 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 -4.00 2.05 0.96 1.61 1.04 -1.26 -5.00 113.70 109.09 1wha s SER 5 Ca 0.00 -1.21 -0.11 0.00 0.48 0.00 0.00 55.95 55.11 1wha s SER 5 Cb 0.00 -0.03 0.18 0.00 0.10 0.00 0.00 66.02 66.26 1wha s SER 5 CO 0.00 -0.47 0.40 -1.20 0.98 0.00 0.00 173.24 172.95 1wha n SER 6 N -0.45 -2.94 -3.64 7.02 7.64 -1.26 -4.86 113.62 115.13 1wha n SER 6 Ca -0.05 -0.41 -0.10 0.00 1.01 0.00 0.00 58.87 59.32 1wha n SER 6 Cb 0.64 -0.69 -0.07 0.00 -1.01 0.00 0.00 64.21 63.08 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 -1.96 -0.43 0.18 0.23 0.00 -1.12 -4.99 107.32 99.24 1wha s GLY 7 Ca 0.31 2.39 0.06 0.00 0.00 0.00 0.00 44.72 47.48 1wha s GLY 7 CO 0.26 2.03 0.09 0.50 0.00 0.00 0.00 173.10 175.98 1wha s ARG 8 N 0.77 2.72 0.41 2.90 3.00 -1.26 -1.48 118.95 126.01 1wha s ARG 8 Ca -0.03 -0.99 0.04 0.00 0.00 0.00 0.00 55.73 54.75 1wha s ARG 8 Cb -0.05 -2.52 -0.02 0.00 0.00 0.00 0.00 34.95 32.36 1wha s ARG 8 CO -0.08 0.46 0.14 -3.38 0.00 0.00 0.00 175.30 172.45 1wha s HIS 9 N -1.81 1.78 -0.10 -0.53 -3.43 -1.00 -4.97 115.29 105.22 1wha s HIS 9 Ca 0.30 -1.33 -0.01 0.00 -0.80 0.00 0.00 55.06 53.23 1wha s HIS 9 Cb -0.09 -1.13 -0.03 0.00 -1.43 0.00 0.00 32.58 29.90 1wha s HIS 9 CO 0.22 -0.35 -0.06 0.54 -2.00 0.00 0.00 174.74 173.09 1wha s VAL 10 N -3.21 3.73 -0.23 -5.38 0.11 -1.26 -3.05 120.40 111.12 1wha s VAL 10 Ca 0.24 -0.45 0.01 0.00 -2.93 0.00 0.00 61.98 58.85 1wha s VAL 10 Cb 0.02 -2.56 0.06 0.00 -1.53 0.00 0.00 36.38 32.37 1wha s VAL 10 CO 0.15 0.56 -0.06 0.00 -3.33 0.00 0.00 175.10 172.43 1wha s ALA 11 N -0.37 1.94 -0.19 1.54 0.00 -1.05 -4.95 121.76 118.67 1wha s ALA 11 Ca 0.06 -1.31 -0.06 0.00 0.00 0.00 0.00 51.96 50.64 1wha s ALA 11 Cb -0.12 -1.40 -0.03 0.00 0.00 0.00 0.00 23.12 21.56 1wha s ALA 11 CO 0.02 -1.14 0.03 0.00 0.00 0.00 0.00 175.76 174.68 1wha s LEU 13 N 0.68 1.99 -0.33 0.00 1.43 -1.22 -4.99 118.68 116.25 1wha s LEU 13 Ca 0.02 -0.11 -0.29 0.00 -1.03 0.00 0.00 54.13 52.71 1wha s LEU 13 Cb -0.14 -0.33 -0.00 0.00 0.03 0.00 0.00 46.19 45.76 1wha s LEU 13 CO 0.02 0.07 1.41 0.00 0.23 0.00 0.00 176.35 178.08 1wha s ALA 14 N -0.11 3.22 0.21 4.21 0.00 -1.26 -3.51 121.76 124.52 1wha s ALA 14 Ca 0.02 0.08 -0.30 0.00 0.00 0.00 0.00 51.96 51.76 1wha s ALA 14 Cb -0.03 -3.85 -0.08 0.00 0.00 0.00 0.00 23.12 19.16 1wha s ALA 14 CO -0.00 -2.05 1.10 0.50 0.00 0.00 0.00 175.76 175.31 1wha s ARG 15 N 4.57 4.62 0.00 0.00 3.52 -0.72 -4.78 118.95 126.16 1wha s ARG 15 Ca 0.61 1.74 -0.00 0.00 -0.13 0.00 0.00 55.73 57.95 1wha s ARG 15 Cb -0.17 -3.25 -0.01 0.00 -1.56 0.00 0.00 34.95 29.96 1wha s ARG 15 CO 0.28 0.13 -0.00 -1.54 -0.81 0.00 0.00 175.30 173.35 1wha s SER 16 N -0.36 0.06 0.59 -2.12 1.04 -1.26 -4.78 113.70 106.87 1wha s SER 16 Ca 0.48 -0.14 0.31 0.00 0.48 0.00 0.00 55.95 57.08 1wha s SER 16 Cb -0.30 0.04 1.66 0.00 0.10 0.00 0.00 66.02 67.52 1wha s SER 16 CO 0.36 -0.09 1.92 1.05 0.98 0.00 0.00 173.24 177.46 1wha h GLU 17 N 5.69 0.00 0.00 4.02 4.11 -1.99 0.35 114.58 126.77 1wha h GLU 17 Ca -0.26 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.09 1wha h GLU 17 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1wha h GLU 17 CO 0.48 0.00 -0.37 0.00 0.07 0.00 0.00 179.01 179.19 1wha h ARG 18 N 0.00 0.00 0.00 1.06 3.08 -2.01 -3.48 114.38 113.04 1wha h ARG 18 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1wha h ARG 18 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1wha h ARG 18 CO 0.00 0.37 0.00 0.41 -1.07 0.00 0.00 179.97 179.68 1wha n GLY 19 N 0.70 2.75 0.30 0.04 0.00 0.12 -4.98 105.19 104.13 1wha n GLY 19 Ca 0.01 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.46 0.00 0.99 4.77 -1.24 -4.75 117.00 116.32 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 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 1wha n LEU 20 CO 0.00 -1.24 0.00 0.61 -1.33 0.00 0.00 177.39 175.43 1wha n GLY 21 N -1.40 1.39 3.81 -0.72 0.00 -1.26 -4.54 105.19 102.48 1wha n GLY 21 Ca 0.09 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 3.16 0.43 1.61 -0.71 -1.26 -3.21 117.98 118.00 1wha s PHE 22 Ca 0.00 1.58 0.07 0.00 -1.04 0.00 0.00 56.93 57.54 1wha s PHE 22 Cb 0.00 -2.95 -0.03 0.00 -1.21 0.00 0.00 43.02 38.83 1wha s PHE 22 CO 0.00 -0.49 0.26 0.45 -1.34 0.00 0.00 175.22 174.10 1wha s SER 23 N -2.18 4.64 0.25 1.98 0.15 0.34 -4.89 113.70 113.99 1wha s SER 23 Ca 0.64 -0.99 0.10 0.00 0.70 0.00 0.00 55.95 56.40 1wha s SER 23 Cb -0.13 -0.42 -0.05 0.00 -1.71 0.00 0.00 66.02 63.72 1wha s SER 23 CO 0.18 -0.63 -0.17 0.27 1.20 0.00 0.00 173.24 174.09 1wha s ILE 24 N -2.58 2.11 -0.11 6.45 -4.36 -1.26 -3.49 121.20 117.95 1wha s ILE 24 Ca 0.42 -2.31 -0.09 0.00 -0.26 0.00 0.00 60.65 58.42 1wha s ILE 24 Cb 0.01 -2.20 0.03 0.00 1.25 0.00 0.00 42.46 41.56 1wha s ILE 24 CO 0.24 -0.48 0.29 0.00 0.24 0.00 0.00 174.94 175.23 1wha s ALA 25 N -2.74 -0.71 0.00 2.27 0.00 -0.13 -4.70 121.76 115.76 1wha s ALA 25 Ca 0.27 0.92 0.00 0.00 0.00 0.00 0.00 51.96 53.14 1wha s ALA 25 Cb -0.03 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.55 1wha s ALA 25 CO 0.11 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.12 1wha n GLY 26 N 3.33 0.79 6.30 0.00 0.00 -1.17 -0.82 105.19 113.62 1wha n GLY 26 Ca -0.17 -0.75 0.02 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.98 3.10 -0.02 0.00 0.80 -3.13 105.19 104.95 1wha n GLY 27 Ca 0.00 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 1wha n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wha s LYS 28 N -0.27 2.35 0.00 1.61 1.02 -1.26 -4.60 119.74 118.59 1wha s LYS 28 Ca 0.00 -1.28 0.00 0.00 0.02 0.00 0.00 55.97 54.71 1wha s LYS 28 Cb 0.00 -2.92 0.00 0.00 -0.52 0.00 0.00 37.83 34.39 1wha s LYS 28 CO 0.00 -0.55 0.00 0.41 -0.92 0.00 0.00 175.35 174.29 1wha n GLY 29 N 4.49 2.22 0.00 -3.33 0.00 -1.26 -4.48 105.19 102.83 1wha n GLY 29 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 0.00 -3.65 1.61 2.88 -1.26 -5.08 113.62 108.13 1wha n SER 30 Ca 0.00 0.22 -0.02 0.00 -1.33 0.00 0.00 58.87 57.74 1wha n SER 30 Cb 0.00 -0.45 -0.07 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 -0.91 0.00 -0.99 2.46 2.01 -1.18 -5.07 115.64 111.96 1wha s THR 31 Ca 0.00 0.00 -0.24 0.00 0.31 0.00 0.00 61.69 61.76 1wha s THR 31 Cb 0.00 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.45 1wha s THR 31 CO 0.00 0.00 1.94 -2.16 -0.69 0.00 0.00 174.62 173.71 1wha s PRO 32 N 0.66 2.54 0.51 4.92 0.04 -1.26 -3.06 135.00 139.35 1wha s PRO 32 Ca -0.02 -0.58 0.36 0.00 0.04 0.00 0.00 61.00 60.81 1wha s PRO 32 Cb -0.04 -5.12 1.24 0.00 0.04 0.00 0.00 34.50 30.62 1wha s PRO 32 CO -0.12 -3.58 1.29 0.98 0.04 0.00 0.00 177.00 175.61 1wha n TYR 33 N 14.11 0.00 -3.76 0.56 9.36 -1.26 -4.24 117.16 131.93 1wha n TYR 33 Ca 0.42 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.51 1wha n TYR 33 Cb 0.47 -0.35 -0.10 0.00 -0.63 0.00 0.00 39.34 38.73 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 -4.44 0.54 -0.23 2.98 0.52 -1.26 -5.02 118.95 112.04 1wha s ARG 34 Ca -0.04 0.13 -0.33 0.00 -0.52 0.00 0.00 55.73 54.97 1wha s ARG 34 Cb 0.19 0.25 -0.10 0.00 0.52 0.00 0.00 34.95 35.81 1wha s ARG 34 CO 0.64 -0.12 2.08 0.00 0.02 0.00 0.00 175.30 177.92 1wha n ALA 35 N 2.06 1.13 -2.26 2.13 0.00 -1.26 -0.92 120.51 121.38 1wha n ALA 35 Ca -0.17 0.03 -0.01 0.00 0.00 0.00 0.00 53.44 53.28 1wha n ALA 35 Cb 0.57 -2.61 0.00 0.00 0.00 0.00 0.00 19.45 17.41 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 5.58 0.62 2.62 0.00 0.00 -1.26 -5.05 105.19 107.69 1wha n GLY 36 Ca 0.32 -0.76 -0.26 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.99 2.35 0.00 1.61 1.11 -0.10 -4.98 116.67 113.67 1wha s ASP 37 Ca 0.01 -0.61 0.24 0.00 0.18 0.00 0.00 52.55 52.37 1wha s ASP 37 Cb -0.00 -0.26 0.28 0.00 1.07 0.00 0.00 42.92 44.00 1wha s ASP 37 CO 0.01 -0.35 1.29 0.00 1.18 0.00 0.00 175.17 177.30 1wha n ALA 38 N 5.27 2.86 -1.00 5.23 0.00 -1.26 -4.21 120.51 127.40 1wha n ALA 38 Ca -0.07 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1wha n ALA 38 Cb 0.49 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 1.35 -1.36 2.74 0.00 0.00 -1.26 -3.38 105.19 103.28 1wha n GLY 39 Ca 0.13 -1.23 -0.18 0.00 0.00 0.00 0.00 46.02 44.74 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 0.00 -0.13 0.08 -0.61 1.01 -1.26 -0.14 121.20 120.14 1wha s ILE 40 Ca 0.00 0.37 0.06 0.00 0.00 0.00 0.00 60.65 61.07 1wha s ILE 40 Cb 0.00 -0.18 -0.03 0.00 0.01 0.00 0.00 42.46 42.26 1wha s ILE 40 CO 0.00 0.15 -0.15 -0.36 0.00 0.00 0.00 174.94 174.58 1wha s PHE 41 N 1.97 1.29 -0.01 3.97 0.40 0.00 -0.92 117.98 124.67 1wha s PHE 41 Ca 0.02 -0.46 -0.30 0.00 -0.60 0.00 0.00 56.93 55.59 1wha s PHE 41 Cb -0.12 -0.72 -0.06 0.00 0.51 0.00 0.00 43.02 42.63 1wha s PHE 41 CO -0.04 0.08 1.62 0.08 0.70 0.00 0.00 175.22 177.66 1wha s VAL 42 N -1.27 3.45 -0.50 -0.44 1.01 -0.74 -0.96 120.40 120.95 1wha s VAL 42 Ca -0.01 0.69 0.15 0.00 0.00 0.00 0.00 61.98 62.82 1wha s VAL 42 Cb -0.10 -3.45 -0.18 0.00 0.00 0.00 0.00 36.38 32.65 1wha s VAL 42 CO 0.03 -0.04 0.54 -1.54 0.00 0.00 0.00 175.10 174.09 1wha n SER 43 N 6.50 0.93 -3.64 3.32 3.41 -1.23 -0.37 113.62 122.54 1wha n SER 43 Ca 0.16 -0.60 -0.15 0.00 -0.26 0.00 0.00 58.87 58.02 1wha n SER 43 Cb 0.42 1.20 -0.07 0.00 -0.26 0.00 0.00 64.21 65.50 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 -2.60 0.84 -0.02 4.33 6.06 -1.25 -4.99 118.95 121.33 1wha s ARG 44 Ca 0.02 0.13 0.02 0.00 -2.50 0.00 0.00 55.73 53.41 1wha s ARG 44 Cb 0.11 0.39 0.00 0.00 0.06 0.00 0.00 34.95 35.51 1wha s ARG 44 CO 0.62 -0.23 -0.06 0.42 -2.50 0.00 0.00 175.30 173.54 1wha s ILE 45 N -1.05 0.56 -0.19 4.11 1.01 -1.26 -0.50 121.20 123.88 1wha s ILE 45 Ca -0.11 -0.25 -0.29 0.00 0.00 0.00 0.00 60.65 60.01 1wha s ILE 45 Cb -0.03 -0.51 -0.03 0.00 0.01 0.00 0.00 42.46 41.91 1wha s ILE 45 CO 0.06 0.18 1.56 0.00 0.00 0.00 0.00 174.94 176.74 1wha s ALA 46 N 0.19 3.40 -0.06 9.38 0.00 -1.20 -4.84 121.76 128.64 1wha s ALA 46 Ca -0.02 0.54 -0.30 0.00 0.00 0.00 0.00 51.96 52.18 1wha s ALA 46 Cb -0.07 -3.80 -0.03 0.00 0.00 0.00 0.00 23.12 19.23 1wha s ALA 46 CO -0.00 -1.73 1.17 -2.00 0.00 0.00 0.00 175.76 173.20 1wha s GLU 47 N 4.37 4.37 0.00 0.00 2.12 -1.26 -2.83 118.70 125.47 1wha s GLU 47 Ca 0.69 1.63 0.00 0.00 0.36 0.00 0.00 54.97 57.65 1wha s GLU 47 Cb -0.26 -3.54 0.00 0.00 0.26 0.00 0.00 34.13 30.59 1wha s GLU 47 CO 0.27 -0.41 0.00 0.41 -0.54 0.00 0.00 175.26 174.99 1wha n GLY 48 N 3.31 1.41 0.00 -1.50 0.00 -1.26 -5.01 105.19 102.14 1wha n GLY 48 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.00 0.94 0.15 -0.02 0.00 -1.13 -4.84 105.19 98.29 1wha n GLY 49 Ca 0.00 -1.74 -0.20 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.54 0.02 0.31 4.61 0.00 -1.83 -2.95 119.26 117.87 1wha h ALA 50 Ca 0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 1wha h ALA 50 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1wha h ALA 50 CO 0.00 0.48 -0.17 0.00 0.00 0.00 0.00 179.25 179.56 1wha h ALA 51 N 0.26 -1.08 -0.35 0.00 0.00 -1.84 -1.76 119.26 114.49 1wha h ALA 51 Ca -0.13 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.75 1wha h ALA 51 Cb 1.59 0.22 -0.08 0.00 0.00 0.00 0.00 17.79 19.52 1wha h ALA 51 CO 0.17 -1.05 -0.42 1.25 0.00 0.00 0.00 179.25 179.19 1wha h HIS 52 N -0.44 -1.21 -0.78 0.00 6.17 -1.70 -1.06 115.15 116.13 1wha h HIS 52 Ca -0.04 0.06 0.16 0.00 0.71 0.00 0.00 60.37 61.26 1wha h HIS 52 Cb 0.34 0.58 -0.15 0.00 2.52 0.00 0.00 27.41 30.71 1wha h HIS 52 CO 0.10 -0.44 -0.17 0.00 0.71 0.00 0.00 177.93 178.13 1wha h ARG 53 N -0.36 0.01 -0.92 5.26 3.08 -1.54 0.13 114.38 120.05 1wha h ARG 53 Ca 0.13 -0.00 0.27 0.00 0.07 0.00 0.00 59.98 60.45 1wha h ARG 53 Cb 0.59 -0.00 -0.17 0.00 0.08 0.00 0.00 29.97 30.47 1wha h ARG 53 CO -0.53 0.01 0.09 0.00 -1.07 0.00 0.00 179.97 178.46 1wha n ALA 54 N -3.25 0.54 0.00 0.04 0.00 -0.40 -4.80 120.51 112.64 1wha n ALA 54 Ca 0.12 0.97 0.00 0.00 0.00 0.00 0.00 53.44 54.53 1wha n ALA 54 Cb 0.41 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.12 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 -1.43 2.45 0.20 0.00 0.00 0.45 -4.75 105.19 102.11 1wha n GLY 55 Ca 0.24 -0.52 -0.02 0.00 0.00 0.00 0.00 46.02 45.71 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 0.76 -2.17 2.61 1.03 -1.87 -3.41 112.91 109.87 1wha h THR 56 Ca 0.00 -0.10 -0.59 0.00 -0.01 0.00 0.00 66.41 65.71 1wha h THR 56 Cb 0.00 0.45 0.03 0.00 -1.07 0.00 0.00 68.15 67.57 1wha h THR 56 CO 0.00 0.05 0.99 0.18 -0.01 0.00 0.00 175.52 176.74 1wha n LEU 57 N -5.07 3.39 -3.72 0.00 4.77 -1.26 -4.97 117.00 110.14 1wha n LEU 57 Ca 0.06 1.01 -0.12 0.00 -0.03 0.00 0.00 56.01 56.93 1wha n LEU 57 Cb 0.23 -1.41 -0.10 0.00 -2.33 0.00 0.00 43.42 39.81 1wha n LEU 57 CO 0.22 -0.11 0.07 0.00 -1.33 0.00 0.00 177.39 176.24 1wha s GLN 58 N 2.82 0.45 -0.35 3.23 -2.07 -1.26 -4.80 119.66 117.67 1wha s GLN 58 Ca 0.87 0.65 -0.43 0.00 -1.82 0.00 0.00 55.36 54.63 1wha s GLN 58 Cb -0.66 0.14 -0.18 0.00 -1.09 0.00 0.00 33.01 31.22 1wha s GLN 58 CO 0.45 -0.09 1.66 0.28 -1.32 0.00 0.00 175.29 176.26 1wha n VAL 59 N 3.36 0.16 0.00 3.63 0.31 -1.26 -1.92 118.33 122.62 1wha n VAL 59 Ca -0.17 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1wha n VAL 59 Cb 0.56 -0.88 0.00 0.00 -0.91 0.00 0.00 33.84 32.61 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 2.19 3.68 2.92 0.00 0.50 -4.97 105.19 113.52 1wha n GLY 60 Ca 0.28 -0.53 -0.44 0.00 0.00 0.00 0.00 46.02 45.32 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 2.91 -4.87 1.61 8.00 -0.81 -4.53 116.55 118.87 1wha n ASP 61 Ca 0.00 1.14 -0.34 0.00 0.71 0.00 0.00 54.79 56.31 1wha n ASP 61 Cb 0.00 -1.45 -0.05 0.00 -0.02 0.00 0.00 41.12 39.59 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 -0.46 3.77 -0.45 -1.24 3.52 -1.26 -1.80 118.95 121.03 1wha s ARG 62 Ca 0.67 0.19 -0.16 0.00 -0.13 0.00 0.00 55.73 56.31 1wha s ARG 62 Cb -0.62 -2.92 0.05 0.00 -1.56 0.00 0.00 34.95 29.90 1wha s ARG 62 CO 0.50 0.51 0.38 0.08 -0.81 0.00 0.00 175.30 175.95 1wha s VAL 63 N -1.50 5.22 0.04 7.11 1.01 -0.10 -2.84 120.40 129.35 1wha s VAL 63 Ca 0.37 -0.88 -0.18 0.00 0.00 0.00 0.00 61.98 61.29 1wha s VAL 63 Cb -0.13 -4.07 -0.18 0.00 0.00 0.00 0.00 36.38 32.00 1wha s VAL 63 CO 0.20 -0.49 1.23 -0.07 0.00 0.00 0.00 175.10 175.96 1wha h LEU 64 N 8.77 0.63 -7.65 3.92 3.38 -1.49 -3.37 115.31 119.50 1wha h LEU 64 Ca -0.28 -0.65 -0.06 0.00 0.09 0.00 0.00 57.88 56.98 1wha h LEU 64 Cb 1.11 -0.19 -0.13 0.00 0.09 0.00 0.00 40.66 41.55 1wha h LEU 64 CO 0.83 1.18 -0.17 -0.55 0.09 0.00 0.00 178.44 179.82 1wha s SER 65 N -6.70 -0.11 -0.01 -0.43 0.15 -1.26 -0.50 113.70 104.83 1wha s SER 65 Ca -0.13 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.01 1wha s SER 65 Cb 0.06 0.45 0.01 0.00 -1.71 0.00 0.00 66.02 64.83 1wha s SER 65 CO 0.83 -0.86 0.00 -0.63 1.20 0.00 0.00 173.24 173.78 1wha s ILE 66 N -3.86 0.07 -1.66 6.45 1.01 0.20 -2.26 121.20 121.16 1wha s ILE 66 Ca 0.07 0.06 -0.19 0.00 0.00 0.00 0.00 60.65 60.59 1wha s ILE 66 Cb 0.02 -0.13 0.17 0.00 0.01 0.00 0.00 42.46 42.53 1wha s ILE 66 CO -0.08 0.07 0.68 -3.20 0.00 0.00 0.00 174.94 172.41 1wha n ASN 67 N 3.64 -2.83 -1.81 3.58 2.85 -0.65 -0.57 115.26 119.47 1wha n ASN 67 Ca -0.20 -0.96 -0.07 0.00 -0.11 0.00 0.00 54.58 53.23 1wha n ASN 67 Cb 0.55 -2.36 0.03 0.00 1.24 0.00 0.00 39.78 39.24 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 -1.23 0.23 2.99 8.20 0.00 -1.26 -5.02 105.19 109.11 1wha n GLY 68 Ca 0.08 -0.29 -0.08 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.13 -0.64 0.13 1.61 1.01 0.26 -5.13 120.40 114.51 1wha s VAL 69 Ca 0.07 -0.02 -0.33 0.00 0.00 0.00 0.00 61.98 61.69 1wha s VAL 69 Cb -0.03 -0.80 -0.13 0.00 0.00 0.00 0.00 36.38 35.42 1wha s VAL 69 CO 0.27 -0.08 1.69 -0.67 0.00 0.00 0.00 175.10 176.31 1wha n ASP 70 N 5.37 3.51 -0.47 3.32 2.03 -1.26 -0.63 116.55 128.43 1wha n ASP 70 Ca -0.04 1.05 0.04 0.00 0.52 0.00 0.00 54.79 56.36 1wha n ASP 70 Cb 0.50 -1.47 0.06 0.00 -0.72 0.00 0.00 41.12 39.49 1wha n ASP 70 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1wha n VAL 71 N 3.98 0.76 -0.22 5.18 0.24 0.34 -4.79 118.33 123.82 1wha n VAL 71 Ca 0.18 -1.05 0.02 0.00 -2.04 0.00 0.00 64.34 61.45 1wha n VAL 71 Cb 0.32 0.26 0.14 0.00 -1.47 0.00 0.00 33.84 33.08 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 4.33 0.64 0.00 3.34 1.35 -1.65 -2.50 112.91 118.43 1wha h THR 72 Ca -0.02 -0.11 -0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1wha h THR 72 Cb 1.29 0.29 -0.00 0.00 -1.73 0.00 0.00 68.15 68.01 1wha h THR 72 CO 0.01 0.06 -0.38 -0.62 -0.25 0.00 0.00 175.52 174.33 1wha n GLU 73 N -5.09 1.50 -2.35 4.72 1.02 -1.26 -4.05 120.64 115.14 1wha n GLU 73 Ca 0.11 -3.12 -0.28 0.00 -0.02 0.00 0.00 57.16 53.84 1wha n GLU 73 Cb 0.36 -1.58 0.01 0.00 -0.02 0.00 0.00 31.44 30.21 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 -3.13 3.27 0.89 0.62 0.00 -0.94 -4.96 121.76 117.51 1wha s ALA 74 Ca 0.36 -0.45 -0.12 0.00 0.00 0.00 0.00 51.96 51.75 1wha s ALA 74 Cb 0.35 -2.73 0.13 0.00 0.00 0.00 0.00 23.12 20.86 1wha s ALA 74 CO -0.05 -0.60 1.11 1.03 0.00 0.00 0.00 175.76 177.26 1wha s ARG 75 N -4.95 1.30 0.01 0.00 0.52 -1.26 -4.14 118.95 110.42 1wha s ARG 75 Ca 0.52 0.48 -0.25 0.00 -0.52 0.00 0.00 55.73 55.96 1wha s ARG 75 Cb -0.11 -1.84 -0.14 0.00 0.52 0.00 0.00 34.95 33.38 1wha s ARG 75 CO 0.47 -2.13 1.07 1.25 0.02 0.00 0.00 175.30 175.99 1wha h HIS 76 N -1.45 -0.79 -0.13 -0.53 -0.00 -1.84 -2.02 115.15 108.38 1wha h HIS 76 Ca -0.50 -0.02 0.04 0.00 -0.00 0.00 0.00 60.37 59.89 1wha h HIS 76 Cb 1.31 0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 28.97 1wha h HIS 76 CO 0.36 -0.47 0.13 -0.44 -0.00 0.00 0.00 177.93 177.51 1wha h ASP 77 N -1.19 0.00 0.13 3.26 5.19 -1.94 -1.20 116.42 120.67 1wha h ASP 77 Ca -0.09 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.32 1wha h ASP 77 Cb 0.67 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.19 1wha h ASP 77 CO 0.14 0.00 -0.06 -0.74 -3.12 0.00 0.00 179.24 175.46 1wha h HIS 78 N 0.00 -0.16 -0.64 4.55 2.76 -1.91 -2.55 115.15 117.19 1wha h HIS 78 Ca 0.06 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.20 1wha h HIS 78 Cb 0.33 0.05 -0.03 0.00 1.55 0.00 0.00 27.41 29.31 1wha h HIS 78 CO 0.00 0.27 0.29 0.00 -1.30 0.00 0.00 177.93 177.19 1wha h ALA 79 N 0.06 0.83 -0.91 5.26 0.00 -0.79 -2.68 119.26 121.03 1wha h ALA 79 Ca -0.02 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.79 1wha h ALA 79 Cb 0.51 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1wha h ALA 79 CO 0.03 0.41 0.59 0.28 0.00 0.00 0.00 179.25 180.56 1wha h VAL 80 N 0.89 1.10 -1.51 0.00 2.07 -1.30 -1.96 116.25 115.54 1wha h VAL 80 Ca 0.22 -0.37 0.47 0.00 0.82 0.00 0.00 66.70 67.84 1wha h VAL 80 Cb 0.15 -0.07 -0.10 0.00 -1.52 0.00 0.00 31.29 29.75 1wha h VAL 80 CO -0.02 0.20 1.03 -1.28 0.02 0.00 0.00 177.57 177.51 1wha h SER 81 N 1.07 0.14 0.85 0.57 0.87 -1.09 1.96 113.55 117.93 1wha h SER 81 Ca 0.38 0.08 -0.22 0.00 -1.23 0.00 0.00 61.79 60.80 1wha h SER 81 Cb 0.13 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.13 1wha h SER 81 CO -0.13 -0.11 -1.24 -0.07 -0.53 0.00 0.00 176.83 174.76 1wha h LEU 82 N 0.05 0.00 0.25 2.23 3.38 -1.49 -2.16 115.31 117.57 1wha h LEU 82 Ca 0.83 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.79 1wha h LEU 82 Cb 2.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.66 1wha h LEU 82 CO -0.25 0.88 -0.12 -0.07 0.09 0.00 0.00 178.44 178.97 1wha h LEU 83 N 0.00 -0.29 -0.02 1.67 3.38 0.30 -3.20 115.31 117.15 1wha h LEU 83 Ca -0.12 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1wha h LEU 83 Cb 1.78 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.61 1wha h LEU 83 CO 0.09 0.18 -0.05 1.07 0.09 0.00 0.00 178.44 179.82 1wha n THR 84 N -5.03 0.00 -0.94 0.22 5.66 0.02 -4.93 114.28 109.27 1wha n THR 84 Ca -0.08 -0.01 -0.32 0.00 -3.05 0.00 0.00 64.05 60.59 1wha n THR 84 Cb 0.26 -0.40 0.02 0.00 -1.55 0.00 0.00 70.33 68.67 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 -1.38 -4.26 -0.96 1.79 0.00 -0.81 -4.67 120.51 110.22 1wha n ALA 85 Ca 0.10 -0.39 -0.13 0.00 0.00 0.00 0.00 53.44 53.02 1wha n ALA 85 Cb 0.30 -1.07 -0.15 0.00 0.00 0.00 0.00 19.45 18.54 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 6.11 -2.75 0.00 0.00 -1.26 -4.82 120.51 115.96 1wha n ALA 86 Ca 0.01 -1.85 -0.23 0.00 0.00 0.00 0.00 53.44 51.38 1wha n ALA 86 Cb 0.45 -2.41 -0.15 0.00 0.00 0.00 0.00 19.45 17.34 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 2.10 1.66 0.35 0.00 0.01 -1.26 -5.03 113.70 111.52 1wha s SER 87 Ca 0.63 -0.26 0.14 0.00 1.31 0.00 0.00 55.95 57.76 1wha s SER 87 Cb 0.29 -0.30 0.63 0.00 0.21 0.00 0.00 66.02 66.84 1wha s SER 87 CO -0.01 0.14 1.75 1.55 0.41 0.00 0.00 173.24 177.09 1wha h PRO 88 N 6.03 0.00 -6.41 12.44 0.13 -1.87 -3.41 132.00 138.91 1wha h PRO 88 Ca -0.34 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.13 1wha h PRO 88 Cb 1.17 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.16 1wha h PRO 88 CO 0.49 0.44 -0.69 0.95 -0.23 0.00 0.00 178.00 178.96 1wha s THR 89 N -3.90 3.75 -0.21 1.56 -4.23 -1.26 -1.75 115.64 109.60 1wha s THR 89 Ca -0.02 -1.05 -0.04 0.00 -1.18 0.00 0.00 61.69 59.41 1wha s THR 89 Cb 0.13 -2.75 0.10 0.00 1.34 0.00 0.00 72.50 71.32 1wha s THR 89 CO 0.72 0.16 0.26 -0.63 -0.54 0.00 0.00 174.62 174.59 1wha s ILE 90 N -1.23 -0.40 0.26 2.99 1.01 -1.23 -4.92 121.20 117.68 1wha s ILE 90 Ca 0.23 -0.08 -0.17 0.00 0.00 0.00 0.00 60.65 60.63 1wha s ILE 90 Cb -0.11 -0.70 -0.08 0.00 0.01 0.00 0.00 42.46 41.57 1wha s ILE 90 CO 0.15 -0.17 0.71 0.00 0.00 0.00 0.00 174.94 175.63 1wha s ALA 91 N 2.38 3.39 0.04 9.38 0.00 -1.26 -3.42 121.76 132.28 1wha s ALA 91 Ca 0.08 0.08 -0.00 0.00 0.00 0.00 0.00 51.96 52.11 1wha s ALA 91 Cb -0.15 -2.76 -0.03 0.00 0.00 0.00 0.00 23.12 20.17 1wha s ALA 91 CO -0.13 0.35 -0.04 -0.51 0.00 0.00 0.00 175.76 175.43 1wha s LEU 92 N -2.41 2.37 -0.38 0.00 1.43 -1.05 -1.64 118.68 117.00 1wha s LEU 92 Ca 0.47 -0.76 0.03 0.00 -1.03 0.00 0.00 54.13 52.84 1wha s LEU 92 Cb -0.14 0.11 0.11 0.00 0.03 0.00 0.00 46.19 46.30 1wha s LEU 92 CO 0.19 -0.44 0.12 -0.22 0.23 0.00 0.00 176.35 176.24 1wha s LEU 93 N -2.22 3.85 0.13 1.79 2.96 -0.96 -2.54 118.68 121.68 1wha s LEU 93 Ca -0.04 -2.24 -0.13 0.00 -0.22 0.00 0.00 54.13 51.50 1wha s LEU 93 Cb -0.01 -1.38 -0.07 0.00 0.50 0.00 0.00 46.19 45.23 1wha s LEU 93 CO -0.05 -0.35 0.51 -0.76 -1.32 0.00 0.00 176.35 174.38 1wha s LEU 94 N 0.80 4.35 -0.27 -0.68 1.43 -1.17 -1.21 118.68 121.93 1wha s LEU 94 Ca 0.13 1.01 -0.08 0.00 -1.03 0.00 0.00 54.13 54.16 1wha s LEU 94 Cb -0.20 -3.18 -0.02 0.00 0.03 0.00 0.00 46.19 42.81 1wha s LEU 94 CO -0.10 0.13 0.10 -0.70 0.23 0.00 0.00 176.35 176.01 1wha s GLU 95 N -1.92 3.59 -0.28 1.70 -6.30 -1.13 -2.39 118.70 111.98 1wha s GLU 95 Ca 0.36 -0.53 -0.11 0.00 -2.50 0.00 0.00 54.97 52.20 1wha s GLU 95 Cb -0.15 -3.42 -0.05 0.00 0.00 0.00 0.00 34.13 30.51 1wha s GLU 95 CO 0.19 -0.25 0.18 0.50 0.02 0.00 0.00 175.26 175.90 1wha s ARG 96 N 1.63 3.94 -0.22 4.30 3.52 -0.55 -4.48 118.95 127.09 1wha s ARG 96 Ca 0.06 -0.32 -0.29 0.00 -0.13 0.00 0.00 55.73 55.04 1wha s ARG 96 Cb -0.16 -3.64 0.01 0.00 -1.56 0.00 0.00 34.95 29.59 1wha s ARG 96 CO 0.05 -0.17 1.08 -1.21 -0.81 0.00 0.00 175.30 174.23 1wha s GLU 97 N 1.74 4.26 -0.08 5.12 2.02 -1.26 -2.79 118.70 127.70 1wha s GLU 97 Ca 0.07 1.41 0.03 0.00 0.02 0.00 0.00 54.97 56.50 1wha s GLU 97 Cb -0.16 -3.66 -0.25 0.00 0.10 0.00 0.00 34.13 30.17 1wha s GLU 97 CO 0.11 -0.64 0.52 0.00 0.02 0.00 0.00 175.26 175.27 1wha n ALA 98 N 6.34 1.20 -1.51 5.21 0.00 -1.26 -4.95 120.51 125.54 1wha n ALA 98 Ca 0.12 -0.68 -0.42 0.00 0.00 0.00 0.00 53.44 52.46 1wha n ALA 98 Cb 0.46 -0.77 0.01 0.00 0.00 0.00 0.00 19.45 19.15 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 1.77 -0.99 3.79 0.00 0.00 -1.26 -4.94 105.19 103.56 1wha n GLY 99 Ca -0.24 0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.87 6.80 0.00 1.61 0.01 -1.26 -5.01 113.70 114.97 1wha s SER 100 Ca 0.63 0.95 0.00 0.00 1.31 0.00 0.00 55.95 58.84 1wha s SER 100 Cb -0.60 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 63.35 1wha s SER 100 CO 0.57 0.21 0.00 0.61 0.41 0.00 0.00 173.24 175.05 1wha n GLY 101 N 2.29 0.69 3.60 3.44 0.00 -1.26 -5.02 105.19 108.93 1wha n GLY 101 Ca -0.11 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 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 0.15 3.37 -0.12 1.61 0.04 -1.26 -4.89 135.00 133.89 1wha s PRO 102 Ca 0.00 1.28 -0.13 0.00 0.04 0.00 0.00 61.00 62.19 1wha s PRO 102 Cb 0.00 -4.16 -0.11 0.00 0.04 0.00 0.00 34.50 30.26 1wha s PRO 102 CO 0.00 -1.82 0.32 0.77 0.04 0.00 0.00 177.00 176.31 1wha h SER 103 N 12.42 0.00 -2.97 6.66 0.02 -2.04 -3.45 113.55 124.18 1wha h SER 103 Ca -0.32 -0.43 -0.55 0.00 -0.84 0.00 0.00 61.79 59.65 1wha h SER 103 Cb 1.15 0.00 0.08 0.00 0.14 0.00 0.00 62.40 63.77 1wha h SER 103 CO 1.05 0.74 0.78 -1.54 -1.14 0.00 0.00 176.83 176.73 1wha n SER 104 N -4.69 3.41 0.00 3.07 3.41 -1.26 -5.30 113.62 112.26 1wha n SER 104 Ca -0.05 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.69 1wha n SER 104 Cb 0.23 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 62.66 1wha n SER 104 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49