#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 5.39 -0.12 1.61 0.15 -1.26 -5.07 113.70 114.40 1wha s SER 2 Ca 0.00 0.03 -0.13 0.00 0.70 0.00 0.00 55.95 56.55 1wha s SER 2 Cb 0.00 -0.99 -0.04 0.00 -1.71 0.00 0.00 66.02 63.28 1wha s SER 2 CO 0.00 -1.05 -0.26 -0.24 1.20 0.00 0.00 173.24 172.89 1wha n SER 3 N -2.28 1.53 0.00 5.45 2.88 -1.26 -5.12 113.62 114.81 1wha n SER 3 Ca 0.07 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 1wha n SER 3 Cb 0.59 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 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 1.70 4.03 3.21 0.46 0.00 -1.26 -5.15 105.19 108.18 1wha n GLY 4 Ca -0.10 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.51 -4.30 1.61 2.88 -1.26 -4.61 113.62 105.42 1wha n SER 5 Ca 0.00 -0.12 -0.30 0.00 -1.33 0.00 0.00 58.87 57.12 1wha n SER 5 Cb 0.00 -0.86 0.22 0.00 -0.75 0.00 0.00 64.21 62.82 1wha n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wha n SER 6 N -0.74 -2.26 -3.79 -3.46 7.64 -1.26 -4.71 113.62 105.04 1wha n SER 6 Ca 0.00 -0.21 -0.29 0.00 1.01 0.00 0.00 58.87 59.38 1wha n SER 6 Cb 0.64 -1.08 -0.13 0.00 -1.01 0.00 0.00 64.21 62.63 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 -2.13 2.13 0.40 0.23 0.00 -0.60 -4.95 107.32 102.40 1wha s GLY 7 Ca 0.62 -3.06 -0.23 0.00 0.00 0.00 0.00 44.72 42.05 1wha s GLY 7 CO 0.65 1.35 0.96 0.50 0.00 0.00 0.00 173.10 176.56 1wha s ARG 8 N -0.28 4.31 0.06 2.90 0.52 -1.26 -3.05 118.95 122.16 1wha s ARG 8 Ca 0.21 1.23 -0.22 0.00 -0.52 0.00 0.00 55.73 56.42 1wha s ARG 8 Cb -0.17 -2.40 0.05 0.00 0.52 0.00 0.00 34.95 32.96 1wha s ARG 8 CO -0.06 0.04 0.53 -3.38 0.02 0.00 0.00 175.30 172.45 1wha s HIS 9 N -1.96 -0.44 -0.05 -0.53 -3.43 -0.80 -5.00 115.29 103.09 1wha s HIS 9 Ca 0.58 0.45 -0.09 0.00 -0.80 0.00 0.00 55.06 55.20 1wha s HIS 9 Cb -0.13 0.37 -0.05 0.00 -1.43 0.00 0.00 32.58 31.34 1wha s HIS 9 CO 0.18 -0.68 0.25 0.54 -2.00 0.00 0.00 174.74 173.03 1wha s VAL 10 N -2.67 5.33 -0.04 -5.38 0.11 -1.26 -2.03 120.40 114.46 1wha s VAL 10 Ca -0.04 0.35 0.05 0.00 -2.93 0.00 0.00 61.98 59.41 1wha s VAL 10 Cb -0.00 -3.53 -0.01 0.00 -1.53 0.00 0.00 36.38 31.31 1wha s VAL 10 CO -0.03 0.53 -0.20 0.00 -3.33 0.00 0.00 175.10 172.06 1wha s ALA 11 N -1.13 1.74 -0.13 1.54 0.00 -0.94 -4.96 121.76 117.89 1wha s ALA 11 Ca 0.21 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.34 1wha s ALA 11 Cb -0.14 -0.52 -0.00 0.00 0.00 0.00 0.00 23.12 22.46 1wha s ALA 11 CO 0.10 0.36 -0.18 0.00 0.00 0.00 0.00 175.76 176.04 1wha s LEU 13 N 0.49 2.44 -0.50 0.00 1.43 -1.18 -4.96 118.68 116.39 1wha s LEU 13 Ca -0.12 -1.12 -0.09 0.00 -1.03 0.00 0.00 54.13 51.77 1wha s LEU 13 Cb -0.16 -0.50 0.13 0.00 0.03 0.00 0.00 46.19 45.68 1wha s LEU 13 CO 0.05 -0.34 0.37 0.00 0.23 0.00 0.00 176.35 176.66 1wha s ALA 14 N -3.16 3.43 0.29 4.21 0.00 -1.26 -2.96 121.76 122.32 1wha s ALA 14 Ca 0.25 -2.62 -0.29 0.00 0.00 0.00 0.00 51.96 49.30 1wha s ALA 14 Cb 0.03 -2.84 -0.10 0.00 0.00 0.00 0.00 23.12 20.21 1wha s ALA 14 CO 0.08 -1.93 1.20 0.50 0.00 0.00 0.00 175.76 175.60 1wha s ARG 15 N 1.22 4.50 0.10 0.00 3.52 -1.24 -4.87 118.95 122.19 1wha s ARG 15 Ca 0.07 2.00 0.06 0.00 -0.13 0.00 0.00 55.73 57.72 1wha s ARG 15 Cb -0.25 -3.14 -0.03 0.00 -1.56 0.00 0.00 34.95 29.96 1wha s ARG 15 CO -0.01 0.01 -0.14 -1.12 -0.81 0.00 0.00 175.30 173.22 1wha s SER 16 N -0.61 1.88 0.57 -2.12 0.01 -1.26 -4.64 113.70 107.53 1wha s SER 16 Ca 0.47 -0.73 0.27 0.00 1.31 0.00 0.00 55.95 57.27 1wha s SER 16 Cb -0.36 -0.06 1.57 0.00 0.21 0.00 0.00 66.02 67.38 1wha s SER 16 CO 0.46 -0.11 2.08 1.05 0.41 0.00 0.00 173.24 177.12 1wha h GLU 17 N 3.84 0.00 0.00 12.44 4.11 -2.00 0.34 114.58 133.31 1wha h GLU 17 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.03 1wha h GLU 17 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1wha h GLU 17 CO 0.46 0.00 0.00 0.54 0.07 0.00 0.00 179.01 180.08 1wha n ARG 18 N -3.95 0.22 0.00 1.06 3.00 -1.26 -4.93 116.66 110.79 1wha n ARG 18 Ca 0.03 0.38 0.00 0.00 -0.01 0.00 0.00 57.85 58.25 1wha n ARG 18 Cb 0.37 -1.87 0.00 0.00 0.00 0.00 0.00 32.46 30.96 1wha n ARG 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wha n GLY 19 N 0.30 2.29 0.13 -0.13 0.00 0.12 -4.96 105.19 102.94 1wha n GLY 19 Ca 0.03 -0.99 -0.04 0.00 0.00 0.00 0.00 46.02 45.02 1wha n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wha n LEU 20 N 0.00 -0.34 0.00 0.99 4.77 -1.24 -4.70 117.00 116.48 1wha n LEU 20 Ca 0.00 0.95 0.00 0.00 -0.03 0.00 0.00 56.01 56.93 1wha n LEU 20 Cb 0.00 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1wha n LEU 20 CO 0.00 -0.66 0.00 0.61 -1.33 0.00 0.00 177.39 176.01 1wha n GLY 21 N -1.08 4.19 3.84 -0.72 0.00 -1.26 -4.75 105.19 105.42 1wha n GLY 21 Ca 0.01 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 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 3.38 0.50 1.61 -0.12 -1.26 -3.33 117.98 118.76 1wha s PHE 22 Ca 0.00 1.35 0.04 0.00 -0.05 0.00 0.00 56.93 58.27 1wha s PHE 22 Cb 0.00 -2.63 -0.01 0.00 -0.63 0.00 0.00 43.02 39.75 1wha s PHE 22 CO 0.00 0.06 0.16 -1.12 -0.05 0.00 0.00 175.22 174.27 1wha s SER 23 N -2.19 4.32 0.06 1.98 0.01 0.80 -4.95 113.70 113.75 1wha s SER 23 Ca 0.55 -1.41 0.03 0.00 1.31 0.00 0.00 55.95 56.43 1wha s SER 23 Cb -0.11 0.26 -0.03 0.00 0.21 0.00 0.00 66.02 66.35 1wha s SER 23 CO 0.17 -0.85 -0.09 0.27 0.41 0.00 0.00 173.24 173.15 1wha s ILE 24 N -2.79 0.70 0.02 1.44 -4.36 -1.26 -2.74 121.20 112.21 1wha s ILE 24 Ca 0.22 -1.36 -0.04 0.00 -0.26 0.00 0.00 60.65 59.22 1wha s ILE 24 Cb 0.01 -0.98 -0.01 0.00 1.25 0.00 0.00 42.46 42.73 1wha s ILE 24 CO 0.13 -0.49 0.06 0.00 0.24 0.00 0.00 174.94 174.88 1wha s ALA 25 N -1.96 -0.08 0.00 2.27 0.00 0.10 -4.70 121.76 117.39 1wha s ALA 25 Ca -0.03 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1wha s ALA 25 Cb -0.06 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.21 1wha s ALA 25 CO -0.00 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 175.95 1wha n GLY 26 N 1.36 0.48 6.12 0.00 0.00 -0.31 -1.51 105.19 111.33 1wha n GLY 26 Ca -0.22 -1.15 0.01 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.31 0.08 -0.02 0.00 -0.23 -3.15 105.19 101.56 1wha n GLY 27 Ca 0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.73 0.66 -0.22 1.61 5.02 -1.26 -4.17 118.16 119.07 1wha n LYS 28 Ca 0.00 0.03 0.06 0.00 -2.02 0.00 0.00 58.31 56.38 1wha n LYS 28 Cb 0.03 -1.60 0.17 0.00 -0.02 0.00 0.00 35.03 33.60 1wha n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wha n GLY 29 N 1.57 0.91 3.35 0.72 0.00 -1.26 -4.90 105.19 105.58 1wha n GLY 29 Ca -0.21 -0.41 -0.17 0.00 0.00 0.00 0.00 46.02 45.23 1wha n GLY 29 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wha s SER 30 N -0.93 1.26 0.30 1.61 0.15 -1.19 -4.91 113.70 109.99 1wha s SER 30 Ca 0.25 -1.62 -0.29 0.00 0.70 0.00 0.00 55.95 54.99 1wha s SER 30 Cb 0.14 0.58 -0.10 0.00 -1.71 0.00 0.00 66.02 64.92 1wha s SER 30 CO 0.16 -1.12 1.26 -0.89 1.20 0.00 0.00 173.24 173.85 1wha s THR 31 N -3.39 2.96 -1.01 6.45 2.01 -1.25 -4.68 115.64 116.73 1wha s THR 31 Ca 0.37 0.94 -0.24 0.00 0.31 0.00 0.00 61.69 63.07 1wha s THR 31 Cb 0.02 -3.60 -0.06 0.00 0.01 0.00 0.00 72.50 68.87 1wha s THR 31 CO 0.24 0.21 1.94 -2.16 -0.69 0.00 0.00 174.62 174.16 1wha s PRO 32 N -1.45 2.53 0.41 4.92 0.04 -1.26 -1.16 135.00 139.04 1wha s PRO 32 Ca 0.49 -0.63 0.36 0.00 0.04 0.00 0.00 61.00 61.26 1wha s PRO 32 Cb -0.37 -5.13 1.32 0.00 0.04 0.00 0.00 34.50 30.35 1wha s PRO 32 CO 0.48 -3.61 1.23 0.98 0.04 0.00 0.00 177.00 176.11 1wha n TYR 33 N 14.14 0.15 -3.82 0.56 9.36 -1.26 -3.49 117.16 132.79 1wha n TYR 33 Ca 0.42 0.15 -0.27 0.00 3.32 0.00 0.00 57.90 61.52 1wha n TYR 33 Cb 0.47 -0.55 -0.17 0.00 -0.63 0.00 0.00 39.34 38.46 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 -4.58 1.05 -0.31 2.98 1.81 -1.26 -5.04 118.95 113.61 1wha s ARG 34 Ca -0.04 -0.34 -0.33 0.00 -1.72 0.00 0.00 55.73 53.30 1wha s ARG 34 Cb 0.22 -1.79 -0.09 0.00 -0.45 0.00 0.00 34.95 32.84 1wha s ARG 34 CO 0.69 -0.45 2.21 0.00 -0.68 0.00 0.00 175.30 177.07 1wha n ALA 35 N 4.98 1.33 -0.00 2.13 0.00 -1.23 -0.14 120.51 127.59 1wha n ALA 35 Ca -0.10 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1wha n ALA 35 Cb 0.48 -2.69 0.00 0.00 0.00 0.00 0.00 19.45 17.24 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 6.27 1.00 3.03 0.00 0.00 -1.26 -5.08 105.19 109.15 1wha n GLY 36 Ca 0.37 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.00 2.69 -0.41 1.61 1.11 0.81 -5.00 116.67 115.48 1wha s ASP 37 Ca 0.00 -0.49 0.02 0.00 0.18 0.00 0.00 52.55 52.26 1wha s ASP 37 Cb 0.00 -1.19 0.48 0.00 1.07 0.00 0.00 42.92 43.28 1wha s ASP 37 CO 0.00 -0.05 1.82 0.00 1.18 0.00 0.00 175.17 178.12 1wha n ALA 38 N 4.74 5.23 -2.31 5.23 0.00 -1.26 -4.60 120.51 127.53 1wha n ALA 38 Ca -0.17 -2.43 0.00 0.00 0.00 0.00 0.00 53.44 50.84 1wha n ALA 38 Cb 0.50 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 -0.69 3.22 2.92 0.00 0.00 -1.25 -4.26 105.19 105.14 1wha n GLY 39 Ca 0.48 -1.94 -0.15 0.00 0.00 0.00 0.00 46.02 44.42 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 2.29 -0.20 0.32 -0.61 1.01 -1.26 -1.07 121.20 121.68 1wha s ILE 40 Ca 0.00 0.27 0.08 0.00 0.00 0.00 0.00 60.65 60.99 1wha s ILE 40 Cb 0.00 -0.32 -0.06 0.00 0.01 0.00 0.00 42.46 42.09 1wha s ILE 40 CO 0.00 0.11 -0.06 -0.36 0.00 0.00 0.00 174.94 174.63 1wha s PHE 41 N 1.87 2.20 -0.01 3.97 0.40 -0.57 -0.23 117.98 125.62 1wha s PHE 41 Ca -0.02 -0.63 -0.30 0.00 -0.60 0.00 0.00 56.93 55.38 1wha s PHE 41 Cb -0.12 -1.30 -0.04 0.00 0.51 0.00 0.00 43.02 42.07 1wha s PHE 41 CO -0.07 0.41 1.18 0.08 0.70 0.00 0.00 175.22 177.52 1wha s VAL 42 N -2.83 4.23 -0.16 -0.44 1.01 -1.00 -0.72 120.40 120.49 1wha s VAL 42 Ca 0.32 1.58 0.06 0.00 0.00 0.00 0.00 61.98 63.94 1wha s VAL 42 Cb 0.04 -4.02 -0.23 0.00 0.00 0.00 0.00 36.38 32.18 1wha s VAL 42 CO 0.15 0.06 0.21 -1.54 0.00 0.00 0.00 175.10 173.98 1wha n SER 43 N 4.59 1.26 -3.79 3.32 3.41 -1.11 -2.78 113.62 118.52 1wha n SER 43 Ca 0.10 0.12 -0.11 0.00 -0.26 0.00 0.00 58.87 58.72 1wha n SER 43 Cb 0.47 -0.09 -0.08 0.00 -0.26 0.00 0.00 64.21 64.25 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 0.78 -0.01 4.33 6.06 -1.26 -4.96 118.95 121.36 1wha s ARG 44 Ca -0.18 -0.60 0.01 0.00 -2.50 0.00 0.00 55.73 52.46 1wha s ARG 44 Cb 0.07 0.33 0.00 0.00 0.06 0.00 0.00 34.95 35.42 1wha s ARG 44 CO 0.75 -0.25 -0.05 0.42 -2.50 0.00 0.00 175.30 173.68 1wha s ILE 45 N -2.73 0.40 -0.60 4.11 1.01 -1.26 -0.14 121.20 122.00 1wha s ILE 45 Ca -0.04 -0.17 -0.26 0.00 0.00 0.00 0.00 60.65 60.18 1wha s ILE 45 Cb -0.00 -0.37 -0.10 0.00 0.01 0.00 0.00 42.46 42.00 1wha s ILE 45 CO -0.05 0.14 2.43 0.00 0.00 0.00 0.00 174.94 177.46 1wha n ALA 46 N 3.25 0.66 -1.68 9.38 0.00 -1.21 -4.83 120.51 126.08 1wha n ALA 46 Ca -0.16 -0.99 -0.40 0.00 0.00 0.00 0.00 53.44 51.89 1wha n ALA 46 Cb 0.56 -3.15 0.02 0.00 0.00 0.00 0.00 19.45 16.88 1wha n ALA 46 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1wha n GLU 47 N 8.87 1.70 -3.40 0.00 4.07 -1.26 -1.83 120.64 128.77 1wha n GLU 47 Ca 0.42 0.61 -0.20 0.00 -0.06 0.00 0.00 57.16 57.92 1wha n GLU 47 Cb 0.48 -2.32 -0.04 0.00 -0.06 0.00 0.00 31.44 29.50 1wha n GLU 47 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1wha n GLY 48 N 0.92 -0.44 0.00 8.31 0.00 -1.26 -4.81 105.19 107.91 1wha n GLY 48 Ca 0.08 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.75 2.34 0.10 -0.02 0.00 -0.76 -4.87 105.19 101.22 1wha n GLY 49 Ca 0.06 -0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 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 0.78 -0.08 4.61 0.00 -1.26 -3.14 120.51 118.42 1wha n ALA 50 Ca 0.00 -0.57 -0.09 0.00 0.00 0.00 0.00 53.44 52.78 1wha n ALA 50 Cb 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.68 0.36 0.30 0.00 0.00 -1.85 -2.01 119.26 115.38 1wha h ALA 51 Ca -0.32 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1wha h ALA 51 Cb 1.18 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1wha h ALA 51 CO -0.19 -0.14 -0.14 1.25 0.00 0.00 0.00 179.25 180.02 1wha h HIS 52 N 0.37 -0.37 -0.93 0.00 6.17 -1.72 -3.23 115.15 115.44 1wha h HIS 52 Ca 0.10 -0.01 0.27 0.00 0.71 0.00 0.00 60.37 61.45 1wha h HIS 52 Cb -0.00 0.12 -0.17 0.00 2.52 0.00 0.00 27.41 29.88 1wha h HIS 52 CO -0.05 -0.23 0.09 -2.13 0.71 0.00 0.00 177.93 176.32 1wha n ARG 53 N -3.51 -0.07 -0.30 5.26 0.63 -1.19 -0.72 116.66 116.76 1wha n ARG 53 Ca -0.05 1.38 -0.06 0.00 -0.92 0.00 0.00 57.85 58.19 1wha n ARG 53 Cb 0.16 -2.22 -0.05 0.00 0.45 0.00 0.00 32.46 30.80 1wha n ARG 53 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1wha n ALA 54 N -3.07 -0.37 0.00 5.13 0.00 -0.76 -4.80 120.51 116.64 1wha n ALA 54 Ca 0.24 0.65 0.00 0.00 0.00 0.00 0.00 53.44 54.33 1wha n ALA 54 Cb 0.78 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 -1.23 3.17 2.13 0.00 0.00 0.10 -4.89 105.19 104.46 1wha n GLY 55 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 1wha n GLY 55 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wha n THR 56 N -1.01 3.12 -3.71 2.61 5.66 -1.26 -4.85 114.28 114.84 1wha n THR 56 Ca 0.00 -2.06 -0.14 0.00 -3.05 0.00 0.00 64.05 58.80 1wha n THR 56 Cb 0.00 -0.83 -0.14 0.00 -1.55 0.00 0.00 70.33 67.81 1wha n THR 56 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1wha s LEU 57 N -3.04 0.26 -0.02 1.09 1.43 -1.26 -4.89 118.68 112.24 1wha s LEU 57 Ca 0.52 0.44 0.00 0.00 -1.03 0.00 0.00 54.13 54.06 1wha s LEU 57 Cb 0.42 0.54 0.02 0.00 0.03 0.00 0.00 46.19 47.21 1wha s LEU 57 CO 0.05 -0.19 0.02 -1.10 0.23 0.00 0.00 176.35 175.36 1wha s GLN 58 N 1.67 0.04 -0.34 1.70 -0.21 -1.26 -4.88 119.66 116.37 1wha s GLN 58 Ca -0.05 0.14 -0.30 0.00 0.02 0.00 0.00 55.36 55.16 1wha s GLN 58 Cb -0.11 -0.26 -0.08 0.00 1.00 0.00 0.00 33.01 33.55 1wha s GLN 58 CO -0.07 -0.14 2.26 0.28 -2.12 0.00 0.00 175.29 175.51 1wha n VAL 59 N 4.01 0.20 0.00 1.09 0.31 -1.26 -2.11 118.33 120.57 1wha n VAL 59 Ca -0.26 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.64 1wha n VAL 59 Cb 0.51 -2.20 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 6.12 0.90 3.78 2.92 0.00 -1.12 -4.98 105.19 112.82 1wha n GLY 60 Ca 0.37 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.04 1wha n GLY 60 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wha s ASP 61 N -0.18 5.89 -0.06 1.61 1.11 -0.90 -4.77 116.67 119.37 1wha s ASP 61 Ca 0.00 2.05 -0.04 0.00 0.18 0.00 0.00 52.55 54.74 1wha s ASP 61 Cb 0.00 -2.57 -0.04 0.00 1.07 0.00 0.00 42.92 41.38 1wha s ASP 61 CO 0.00 -1.10 0.13 -0.60 1.18 0.00 0.00 175.17 174.78 1wha s ARG 62 N -3.39 3.31 -0.43 8.23 3.52 -1.26 -2.38 118.95 126.56 1wha s ARG 62 Ca 0.70 -0.29 -0.15 0.00 -0.13 0.00 0.00 55.73 55.86 1wha s ARG 62 Cb -0.20 -3.05 0.04 0.00 -1.56 0.00 0.00 34.95 30.17 1wha s ARG 62 CO 0.26 0.71 0.32 0.08 -0.81 0.00 0.00 175.30 175.87 1wha s VAL 63 N -1.13 5.15 0.07 7.11 1.01 0.68 -2.59 120.40 130.70 1wha s VAL 63 Ca 0.20 -0.82 -0.14 0.00 0.00 0.00 0.00 61.98 61.22 1wha s VAL 63 Cb -0.12 -3.94 -0.24 0.00 0.00 0.00 0.00 36.38 32.08 1wha s VAL 63 CO 0.10 -0.39 1.18 -0.07 0.00 0.00 0.00 175.10 175.93 1wha h LEU 64 N 8.64 0.90 -7.62 3.92 3.38 -1.55 -3.39 115.31 119.59 1wha h LEU 64 Ca -0.27 -0.74 -0.07 0.00 0.09 0.00 0.00 57.88 56.89 1wha h LEU 64 Cb 1.11 -0.28 -0.13 0.00 0.09 0.00 0.00 40.66 41.45 1wha h LEU 64 CO 0.77 1.54 -0.23 -0.55 0.09 0.00 0.00 178.44 180.06 1wha s SER 65 N -7.31 -0.05 -0.05 -0.43 0.15 -1.26 -1.82 113.70 102.94 1wha s SER 65 Ca -0.10 -0.50 -0.00 0.00 0.70 0.00 0.00 55.95 56.05 1wha s SER 65 Cb 0.07 0.40 0.03 0.00 -1.71 0.00 0.00 66.02 64.81 1wha s SER 65 CO 0.92 -0.79 -0.00 -0.63 1.20 0.00 0.00 173.24 173.94 1wha s ILE 66 N -3.84 0.29 -1.45 6.45 1.01 -0.49 -1.78 121.20 121.39 1wha s ILE 66 Ca 0.04 0.10 -0.12 0.00 0.00 0.00 0.00 60.65 60.67 1wha s ILE 66 Cb 0.03 -0.41 0.09 0.00 0.01 0.00 0.00 42.46 42.18 1wha s ILE 66 CO -0.11 0.21 0.69 -3.20 0.00 0.00 0.00 174.94 172.53 1wha n ASN 67 N 4.66 -4.08 -1.82 3.58 2.85 -0.69 -2.06 115.26 117.69 1wha n ASN 67 Ca -0.16 -0.62 -0.05 0.00 -0.11 0.00 0.00 54.58 53.65 1wha n ASN 67 Cb 0.50 -3.32 0.02 0.00 1.24 0.00 0.00 39.78 38.22 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 -1.38 0.25 3.34 8.20 0.00 -1.26 -5.01 105.19 109.33 1wha n GLY 68 Ca 0.02 -0.20 -0.06 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.11 -0.77 -0.21 1.61 1.01 -0.88 -5.12 120.40 112.94 1wha s VAL 69 Ca 0.05 0.09 -0.28 0.00 0.00 0.00 0.00 61.98 61.83 1wha s VAL 69 Cb -0.01 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 1wha s VAL 69 CO 0.21 0.03 2.02 -0.62 0.00 0.00 0.00 175.10 176.74 1wha s ASP 70 N 2.71 5.80 -0.09 3.32 2.15 -1.26 -1.39 116.67 127.90 1wha s ASP 70 Ca -0.00 1.83 0.13 0.00 0.43 0.00 0.00 52.55 54.94 1wha s ASP 70 Cb -0.12 -2.52 0.20 0.00 -0.30 0.00 0.00 42.92 40.17 1wha s ASP 70 CO -0.15 -1.70 1.09 1.33 -0.17 0.00 0.00 175.17 175.57 1wha n VAL 71 N 7.22 1.46 -0.28 1.11 0.24 -0.75 -4.74 118.33 122.58 1wha n VAL 71 Ca 0.26 -1.72 0.09 0.00 -2.04 0.00 0.00 64.34 60.93 1wha n VAL 71 Cb 0.45 0.01 0.24 0.00 -1.47 0.00 0.00 33.84 33.07 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 0.90 0.50 0.00 3.34 1.35 -1.67 -1.89 112.91 115.44 1wha h THR 72 Ca 0.00 -0.12 -0.01 0.00 -0.55 0.00 0.00 66.41 65.73 1wha h THR 72 Cb 0.96 0.13 -0.03 0.00 -1.73 0.00 0.00 68.15 67.48 1wha h THR 72 CO 0.00 0.06 -0.45 -0.62 -0.25 0.00 0.00 175.52 174.26 1wha n GLU 73 N -5.10 1.39 -2.78 4.72 1.02 -1.26 -3.81 120.64 114.83 1wha n GLU 73 Ca 0.18 -3.05 -0.32 0.00 -0.02 0.00 0.00 57.16 53.94 1wha n GLU 73 Cb 0.55 -1.46 -0.06 0.00 -0.02 0.00 0.00 31.44 30.45 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 -2.89 3.12 1.07 0.62 0.00 -0.71 -4.98 121.76 118.00 1wha s ALA 74 Ca 0.36 0.23 -0.12 0.00 0.00 0.00 0.00 51.96 52.43 1wha s ALA 74 Cb 0.35 -3.04 0.23 0.00 0.00 0.00 0.00 23.12 20.66 1wha s ALA 74 CO -0.06 0.06 1.06 1.03 0.00 0.00 0.00 175.76 177.86 1wha s ARG 75 N -3.42 -0.16 0.04 0.00 0.52 -1.26 -4.33 118.95 110.33 1wha s ARG 75 Ca 0.59 0.85 -0.30 0.00 -0.52 0.00 0.00 55.73 56.36 1wha s ARG 75 Cb -0.10 -1.64 -0.17 0.00 0.52 0.00 0.00 34.95 33.56 1wha s ARG 75 CO 0.20 -3.22 1.40 1.25 0.02 0.00 0.00 175.30 174.95 1wha h HIS 76 N -2.26 -0.77 -0.47 -0.53 -0.00 -1.87 -2.14 115.15 107.11 1wha h HIS 76 Ca -0.56 -0.02 0.01 0.00 -0.00 0.00 0.00 60.37 59.80 1wha h HIS 76 Cb 1.32 0.26 -0.02 0.00 -0.00 0.00 0.00 27.41 28.96 1wha h HIS 76 CO 0.32 -0.44 0.31 -0.44 -0.00 0.00 0.00 177.93 177.68 1wha h ASP 77 N -0.99 0.53 0.33 3.26 5.19 -1.93 -2.50 116.42 120.31 1wha h ASP 77 Ca -0.09 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.30 1wha h ASP 77 Cb 0.68 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 40.06 1wha h ASP 77 CO 0.14 0.38 -0.20 -0.74 -3.12 0.00 0.00 179.24 175.71 1wha h HIS 78 N 0.62 -0.51 -1.01 4.55 2.76 -1.89 -2.01 115.15 117.67 1wha h HIS 78 Ca 0.17 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.40 1wha h HIS 78 Cb -0.05 0.18 -0.07 0.00 1.55 0.00 0.00 27.41 29.02 1wha h HIS 78 CO -0.00 -0.31 0.65 0.00 -1.30 0.00 0.00 177.93 176.97 1wha h ALA 79 N 0.15 1.40 -0.76 5.26 0.00 -1.08 -1.52 119.26 122.70 1wha h ALA 79 Ca -0.04 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1wha h ALA 79 Cb 0.41 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1wha h ALA 79 CO 0.04 0.44 0.51 0.28 0.00 0.00 0.00 179.25 180.52 1wha h VAL 80 N 1.18 1.18 -1.01 0.00 2.07 -1.13 -1.98 116.25 116.57 1wha h VAL 80 Ca 0.44 -0.35 0.29 0.00 0.82 0.00 0.00 66.70 67.90 1wha h VAL 80 Cb 0.17 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 29.98 1wha h VAL 80 CO -0.17 0.18 1.00 -1.28 0.02 0.00 0.00 177.57 177.32 1wha h SER 81 N 1.01 0.00 0.43 0.57 0.87 -0.53 1.75 113.55 117.65 1wha h SER 81 Ca 0.29 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.64 1wha h SER 81 Cb -0.08 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.84 1wha h SER 81 CO -0.07 0.00 -1.75 0.18 -0.53 0.00 0.00 176.83 174.67 1wha n LEU 82 N -3.55 0.56 -0.03 2.23 4.77 -0.75 -3.83 117.00 116.40 1wha n LEU 82 Ca 0.22 0.25 -0.09 0.00 -0.03 0.00 0.00 56.01 56.36 1wha n LEU 82 Cb 1.32 0.17 -0.08 0.00 -2.33 0.00 0.00 43.42 42.51 1wha n LEU 82 CO 0.29 0.24 0.28 -0.07 -1.33 0.00 0.00 177.39 176.80 1wha h LEU 83 N 0.00 -0.04 -2.67 2.23 3.38 0.25 -3.27 115.31 115.18 1wha h LEU 83 Ca -0.25 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.18 1wha h LEU 83 Cb 1.72 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.48 1wha h LEU 83 CO 0.04 0.70 0.09 0.71 0.09 0.00 0.00 178.44 180.07 1wha h THR 84 N -0.96 0.09 -2.06 0.22 1.35 -0.75 -3.44 112.91 107.35 1wha h THR 84 Ca -0.01 0.00 -0.59 0.00 -0.55 0.00 0.00 66.41 65.27 1wha h THR 84 Cb 0.59 0.92 0.19 0.00 -1.73 0.00 0.00 68.15 68.11 1wha h THR 84 CO 0.01 0.00 -1.27 0.00 -0.25 0.00 0.00 175.52 174.01 1wha n ALA 85 N -2.08 -3.53 -3.05 6.62 0.00 -1.24 -4.84 120.51 112.39 1wha n ALA 85 Ca -0.02 -0.20 -0.44 0.00 0.00 0.00 0.00 53.44 52.78 1wha n ALA 85 Cb 0.16 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 -1.77 4.67 -3.08 0.00 0.00 -1.26 -4.97 120.51 114.11 1wha n ALA 86 Ca 0.06 -4.62 -0.14 0.00 0.00 0.00 0.00 53.44 48.73 1wha n ALA 86 Cb 0.49 -2.56 -0.15 0.00 0.00 0.00 0.00 19.45 17.23 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 0.32 0.24 0.06 0.00 0.01 -1.26 -5.02 113.70 108.05 1wha s SER 87 Ca 0.34 -0.03 0.16 0.00 1.31 0.00 0.00 55.95 57.73 1wha s SER 87 Cb -0.01 -0.06 0.69 0.00 0.21 0.00 0.00 66.02 66.84 1wha s SER 87 CO 0.01 -0.01 1.51 -0.81 0.41 0.00 0.00 173.24 174.35 1wha n PRO 88 N 3.34 0.04 -4.58 12.44 -0.04 -1.26 -4.22 135.00 140.72 1wha n PRO 88 Ca -0.16 0.29 -0.22 0.00 -0.04 0.00 0.00 63.50 63.37 1wha n PRO 88 Cb 0.57 -1.58 -0.14 0.00 -0.04 0.00 0.00 33.50 32.30 1wha n PRO 88 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1wha s THR 89 N -3.07 1.24 -0.06 0.52 -4.23 -1.26 -3.60 115.64 105.18 1wha s THR 89 Ca 0.06 -0.85 -0.03 0.00 -1.18 0.00 0.00 61.69 59.69 1wha s THR 89 Cb 0.09 -1.07 0.04 0.00 1.34 0.00 0.00 72.50 72.89 1wha s THR 89 CO 0.29 0.21 0.14 -0.63 -0.54 0.00 0.00 174.62 174.08 1wha s ILE 90 N -0.59 -0.05 -0.12 2.99 1.01 -1.15 -4.94 121.20 118.35 1wha s ILE 90 Ca 0.05 0.17 -0.08 0.00 0.00 0.00 0.00 60.65 60.79 1wha s ILE 90 Cb -0.07 -0.23 -0.04 0.00 0.01 0.00 0.00 42.46 42.13 1wha s ILE 90 CO 0.00 0.07 0.15 0.00 0.00 0.00 0.00 174.94 175.16 1wha s ALA 91 N 1.06 3.86 -0.05 9.38 0.00 -1.26 -3.13 121.76 131.62 1wha s ALA 91 Ca -0.08 -0.62 -0.02 0.00 0.00 0.00 0.00 51.96 51.23 1wha s ALA 91 Cb -0.11 -2.00 0.03 0.00 0.00 0.00 0.00 23.12 21.05 1wha s ALA 91 CO -0.05 0.59 0.09 -0.51 0.00 0.00 0.00 175.76 175.87 1wha s LEU 92 N -0.96 0.09 -0.75 0.00 1.43 -1.03 -1.71 118.68 115.75 1wha s LEU 92 Ca 0.15 0.14 -0.22 0.00 -1.03 0.00 0.00 54.13 53.17 1wha s LEU 92 Cb -0.12 -0.04 0.08 0.00 0.03 0.00 0.00 46.19 46.14 1wha s LEU 92 CO 0.04 -0.25 1.07 -0.22 0.23 0.00 0.00 176.35 177.22 1wha s LEU 93 N 2.20 4.30 -0.07 1.79 2.96 -0.73 -2.21 118.68 126.92 1wha s LEU 93 Ca 0.05 -1.17 -0.16 0.00 -0.22 0.00 0.00 54.13 52.63 1wha s LEU 93 Cb -0.12 -2.44 -0.05 0.00 0.50 0.00 0.00 46.19 44.08 1wha s LEU 93 CO -0.04 -1.42 0.41 -0.76 -1.32 0.00 0.00 176.35 173.22 1wha s LEU 94 N 4.07 4.36 -0.15 -0.68 1.43 -0.86 -1.40 118.68 125.45 1wha s LEU 94 Ca 0.27 0.82 -0.03 0.00 -1.03 0.00 0.00 54.13 54.17 1wha s LEU 94 Cb -0.12 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.49 1wha s LEU 94 CO 0.05 0.17 -0.04 -0.70 0.23 0.00 0.00 176.35 176.06 1wha s GLU 95 N -0.18 3.63 -0.29 1.70 2.12 -1.07 -1.90 118.70 122.72 1wha s GLU 95 Ca 0.23 -0.52 -0.08 0.00 0.36 0.00 0.00 54.97 54.96 1wha s GLU 95 Cb -0.15 -2.89 -0.00 0.00 0.26 0.00 0.00 34.13 31.34 1wha s GLU 95 CO 0.10 0.26 0.10 0.50 -0.54 0.00 0.00 175.26 175.69 1wha s ARG 96 N 0.30 3.27 -0.09 4.30 6.06 -1.17 -4.20 118.95 127.42 1wha s ARG 96 Ca -0.04 -0.74 -0.30 0.00 -2.50 0.00 0.00 55.73 52.15 1wha s ARG 96 Cb -0.14 -3.43 -0.03 0.00 0.06 0.00 0.00 34.95 31.41 1wha s ARG 96 CO 0.03 -0.39 1.37 -1.21 -2.50 0.00 0.00 175.30 172.60 1wha s GLU 97 N 1.56 4.24 -0.17 5.12 2.02 -1.26 -1.56 118.70 128.65 1wha s GLU 97 Ca 0.04 1.84 0.04 0.00 0.02 0.00 0.00 54.97 56.92 1wha s GLU 97 Cb -0.17 -3.75 -0.22 0.00 0.10 0.00 0.00 34.13 30.09 1wha s GLU 97 CO 0.04 -0.68 0.14 0.00 0.02 0.00 0.00 175.26 174.77 1wha n ALA 98 N 6.32 1.30 -1.00 5.21 0.00 -1.26 -4.66 120.51 126.42 1wha n ALA 98 Ca 0.14 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.63 1wha n ALA 98 Cb 0.44 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.50 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 1.98 -0.91 3.44 0.00 0.00 -1.26 -4.28 105.19 104.16 1wha n GLY 99 Ca -0.35 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.63 6.22 0.00 1.61 0.15 -1.26 -3.59 113.70 114.20 1wha s SER 100 Ca 0.00 -0.96 0.00 0.00 0.70 0.00 0.00 55.95 55.69 1wha s SER 100 Cb 0.00 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 1wha s SER 100 CO 0.00 -1.09 0.00 0.61 1.20 0.00 0.00 173.24 173.96 1wha n GLY 101 N 5.21 5.67 3.57 9.45 0.00 -1.06 -4.99 105.19 123.04 1wha n GLY 101 Ca -0.06 -1.50 -0.27 0.00 0.00 0.00 0.00 46.02 44.19 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 1.17 2.52 -1.21 1.61 0.04 -1.26 -3.63 135.00 134.25 1wha s PRO 102 Ca 0.00 -0.74 -0.04 0.00 0.04 0.00 0.00 61.00 60.26 1wha s PRO 102 Cb 0.00 -5.15 0.00 0.00 0.04 0.00 0.00 34.50 29.39 1wha s PRO 102 CO 0.00 -3.69 1.03 0.45 0.04 0.00 0.00 177.00 174.83 1wha n SER 103 N 14.19 -4.13 -3.77 6.66 2.88 -1.26 -5.01 113.62 123.18 1wha n SER 103 Ca 0.43 -0.55 -0.13 0.00 -1.33 0.00 0.00 58.87 57.29 1wha n SER 103 Cb 0.47 -4.82 -0.12 0.00 -0.75 0.00 0.00 64.21 58.99 1wha n SER 103 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wha s SER 104 N -3.78 -0.30 0.00 -3.46 0.15 -1.24 -5.22 113.70 99.85 1wha s SER 104 Ca 0.28 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.50 1wha s SER 104 Cb -0.12 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1wha s SER 104 CO 0.69 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.63