#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 3.45 -0.90 1.61 0.15 -1.26 -5.07 113.70 111.67 1wha s SER 2 Ca 0.00 -0.42 -0.04 0.00 0.70 0.00 0.00 55.95 56.19 1wha s SER 2 Cb 0.00 -1.11 0.22 0.00 -1.71 0.00 0.00 66.02 63.42 1wha s SER 2 CO 0.00 0.23 0.80 -0.55 1.20 0.00 0.00 173.24 174.92 1wha s SER 3 N -0.06 6.17 0.41 5.45 0.15 -1.26 -4.55 113.70 120.01 1wha s SER 3 Ca -0.05 -3.57 0.08 0.00 0.70 0.00 0.00 55.95 53.10 1wha s SER 3 Cb -0.14 -1.96 -0.01 0.00 -1.71 0.00 0.00 66.02 62.20 1wha s SER 3 CO 0.04 -0.23 0.48 -0.83 1.20 0.00 0.00 173.24 173.90 1wha s GLY 4 N 0.27 2.02 0.16 9.45 0.00 -0.75 -5.00 107.32 113.48 1wha s GLY 4 Ca 0.26 -1.76 -0.30 0.00 0.00 0.00 0.00 44.72 42.92 1wha s GLY 4 CO -0.11 -1.58 1.02 -1.35 0.00 0.00 0.00 173.10 171.08 1wha s SER 5 N -4.24 7.41 1.04 1.64 1.04 -1.26 -4.31 113.70 115.02 1wha s SER 5 Ca 0.51 1.96 -0.20 0.00 0.48 0.00 0.00 55.95 58.70 1wha s SER 5 Cb -0.07 -2.60 -0.02 0.00 0.10 0.00 0.00 66.02 63.43 1wha s SER 5 CO 0.31 -0.10 -0.45 -1.54 0.98 0.00 0.00 173.24 172.43 1wha n SER 6 N 2.39 -3.00 -3.38 7.02 3.41 -1.26 -4.77 113.62 114.03 1wha n SER 6 Ca 0.02 0.04 -0.14 0.00 -0.26 0.00 0.00 58.87 58.52 1wha n SER 6 Cb 0.47 -0.85 -0.09 0.00 -0.26 0.00 0.00 64.21 63.48 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 -1.53 -0.28 0.43 5.00 0.00 -1.01 -4.99 107.32 104.92 1wha s GLY 7 Ca 0.49 0.07 -0.20 0.00 0.00 0.00 0.00 44.72 45.08 1wha s GLY 7 CO 0.69 2.71 0.92 0.50 0.00 0.00 0.00 173.10 177.92 1wha s ARG 8 N 2.43 4.17 0.35 2.90 0.52 -1.26 -3.29 118.95 124.77 1wha s ARG 8 Ca 0.10 1.04 -0.11 0.00 -0.52 0.00 0.00 55.73 56.24 1wha s ARG 8 Cb -0.14 -2.21 0.03 0.00 0.52 0.00 0.00 34.95 33.15 1wha s ARG 8 CO -0.28 -0.03 0.63 -3.38 0.02 0.00 0.00 175.30 172.26 1wha s HIS 9 N -2.21 0.47 0.24 -0.53 -3.43 -1.14 -5.01 115.29 103.69 1wha s HIS 9 Ca 0.61 -0.93 0.12 0.00 -0.80 0.00 0.00 55.06 54.05 1wha s HIS 9 Cb -0.09 0.41 -0.05 0.00 -1.43 0.00 0.00 32.58 31.42 1wha s HIS 9 CO 0.16 -1.32 -0.22 0.54 -2.00 0.00 0.00 174.74 171.90 1wha s VAL 10 N -2.91 2.42 -0.05 -5.38 0.11 -1.26 -2.39 120.40 110.94 1wha s VAL 10 Ca 0.21 -2.25 0.01 0.00 -2.93 0.00 0.00 61.98 57.02 1wha s VAL 10 Cb -0.03 -2.23 0.02 0.00 -1.53 0.00 0.00 36.38 32.62 1wha s VAL 10 CO 0.14 -0.28 -0.04 0.00 -3.33 0.00 0.00 175.10 171.59 1wha s ALA 11 N -2.16 0.71 -0.15 1.54 0.00 -0.81 -4.96 121.76 115.94 1wha s ALA 11 Ca 0.26 -0.09 -0.04 0.00 0.00 0.00 0.00 51.96 52.10 1wha s ALA 11 Cb -0.06 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.54 1wha s ALA 11 CO 0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 175.76 175.77 1wha s LEU 13 N 0.22 1.41 -0.46 0.00 1.43 -1.23 -5.00 118.68 115.05 1wha s LEU 13 Ca -0.02 -1.49 -0.05 0.00 -1.03 0.00 0.00 54.13 51.55 1wha s LEU 13 Cb -0.14 0.34 0.12 0.00 0.03 0.00 0.00 46.19 46.55 1wha s LEU 13 CO 0.03 -0.88 0.28 0.00 0.23 0.00 0.00 176.35 176.00 1wha s ALA 14 N -3.88 3.28 0.32 4.21 0.00 -1.26 -3.15 121.76 121.28 1wha s ALA 14 Ca 0.39 -2.64 -0.29 0.00 0.00 0.00 0.00 51.96 49.41 1wha s ALA 14 Cb 0.06 -2.56 -0.10 0.00 0.00 0.00 0.00 23.12 20.52 1wha s ALA 14 CO 0.16 -1.87 1.31 0.50 0.00 0.00 0.00 175.76 175.86 1wha s ARG 15 N 1.02 4.36 0.06 0.00 3.52 -0.76 -4.84 118.95 122.31 1wha s ARG 15 Ca 0.09 2.21 0.03 0.00 -0.13 0.00 0.00 55.73 57.92 1wha s ARG 15 Cb -0.23 -3.08 -0.03 0.00 -1.56 0.00 0.00 34.95 30.05 1wha s ARG 15 CO -0.03 -0.20 -0.08 -1.54 -0.81 0.00 0.00 175.30 172.63 1wha s SER 16 N -0.39 1.06 0.20 -2.12 1.04 -1.26 -4.70 113.70 107.52 1wha s SER 16 Ca 0.50 -0.68 0.16 0.00 0.48 0.00 0.00 55.95 56.41 1wha s SER 16 Cb -0.40 0.04 0.79 0.00 0.10 0.00 0.00 66.02 66.55 1wha s SER 16 CO 0.51 -0.25 1.49 -1.84 0.98 0.00 0.00 173.24 174.13 1wha n GLU 17 N 1.03 0.10 0.15 4.02 0.00 -1.26 -0.87 120.64 123.81 1wha n GLU 17 Ca -0.20 0.53 0.12 0.00 0.00 0.00 0.00 57.16 57.61 1wha n GLU 17 Cb 0.56 -1.79 0.15 0.00 0.00 0.00 0.00 31.44 30.36 1wha n GLU 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1wha h ARG 18 N 0.00 0.00 0.00 3.44 3.08 -2.00 -3.48 114.38 115.41 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 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1wha h ARG 18 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1wha n GLY 19 N 1.18 2.55 0.28 0.04 0.00 -0.05 -4.95 105.19 104.25 1wha n GLY 19 Ca 0.03 -0.83 0.04 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.31 0.00 0.99 4.77 -1.25 -4.74 117.00 116.45 1wha n LEU 20 Ca 0.00 1.31 0.00 0.00 -0.03 0.00 0.00 56.01 57.29 1wha n LEU 20 Cb 0.00 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 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 -1.46 2.51 3.83 -0.72 0.00 -1.26 -4.74 105.19 103.35 1wha n GLY 21 Ca 0.11 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 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 3.37 0.31 1.61 -0.71 -1.26 -3.59 117.98 117.71 1wha s PHE 22 Ca 0.00 1.52 0.09 0.00 -1.04 0.00 0.00 56.93 57.51 1wha s PHE 22 Cb 0.00 -2.83 -0.05 0.00 -1.21 0.00 0.00 43.02 38.93 1wha s PHE 22 CO 0.00 -0.32 -0.00 0.45 -1.34 0.00 0.00 175.22 174.00 1wha s SER 23 N -2.72 4.28 0.19 1.98 0.15 0.13 -4.89 113.70 112.82 1wha s SER 23 Ca 0.60 -0.86 0.11 0.00 0.70 0.00 0.00 55.95 56.50 1wha s SER 23 Cb -0.10 -0.62 -0.04 0.00 -1.71 0.00 0.00 66.02 63.54 1wha s SER 23 CO 0.25 -0.14 -0.20 0.27 1.20 0.00 0.00 173.24 174.62 1wha s ILE 24 N -2.45 2.57 0.06 6.45 -4.36 -1.26 -2.09 121.20 120.12 1wha s ILE 24 Ca 0.33 -1.92 -0.04 0.00 -0.26 0.00 0.00 60.65 58.77 1wha s ILE 24 Cb -0.03 -2.24 -0.03 0.00 1.25 0.00 0.00 42.46 41.41 1wha s ILE 24 CO 0.19 -0.11 0.05 0.00 0.24 0.00 0.00 174.94 175.32 1wha s ALA 25 N -1.66 0.22 0.00 2.27 0.00 0.19 -4.66 121.76 118.12 1wha s ALA 25 Ca 0.22 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1wha s ALA 25 Cb -0.08 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.37 1wha s ALA 25 CO 0.11 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.88 1wha n GLY 26 N 0.17 0.87 7.00 0.00 0.00 -1.18 0.12 105.19 112.17 1wha n GLY 26 Ca -0.15 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.17 0.31 -0.02 0.00 0.26 -1.88 105.19 103.69 1wha n GLY 27 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.29 0.00 -0.24 1.61 5.02 -1.26 -4.36 118.16 118.63 1wha n LYS 28 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 1wha n LYS 28 Cb 0.00 -0.20 0.03 0.00 -0.02 0.00 0.00 35.03 34.84 1wha n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wha n GLY 29 N 2.60 2.48 0.27 0.72 0.00 -1.26 -4.26 105.19 105.74 1wha n GLY 29 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 0.20 0.00 -3.64 1.61 2.88 -1.26 -5.02 113.62 108.39 1wha n SER 30 Ca 0.11 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.61 1wha n SER 30 Cb 0.72 -0.05 -0.07 0.00 -0.75 0.00 0.00 64.21 64.06 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 -0.36 0.00 -1.18 2.46 2.01 -0.79 -5.05 115.64 112.73 1wha s THR 31 Ca 0.00 0.00 -0.23 0.00 0.31 0.00 0.00 61.69 61.77 1wha s THR 31 Cb 0.00 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.42 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 1.19 2.48 0.66 4.92 0.04 -1.26 -3.10 135.00 139.93 1wha s PRO 32 Ca -0.07 -1.14 0.28 0.00 0.04 0.00 0.00 61.00 60.11 1wha s PRO 32 Cb -0.04 -5.24 1.51 0.00 0.04 0.00 0.00 34.50 30.78 1wha s PRO 32 CO -0.14 -3.98 1.86 -0.92 0.04 0.00 0.00 177.00 173.85 1wha h TYR 33 N 9.78 0.00 -3.02 0.56 3.20 -1.81 -3.36 116.97 122.33 1wha h TYR 33 Ca 0.21 0.00 -0.35 0.00 3.14 0.00 0.00 58.73 61.73 1wha h TYR 33 Cb 0.94 0.00 -0.38 0.00 1.54 0.00 0.00 36.73 38.83 1wha h TYR 33 CO 1.21 0.00 -0.68 1.03 -1.64 0.00 0.00 178.16 178.08 1wha s ARG 34 N -4.12 0.05 -0.35 1.82 1.81 -1.26 -5.00 118.95 111.90 1wha s ARG 34 Ca -0.03 0.31 -0.31 0.00 -1.72 0.00 0.00 55.73 53.97 1wha s ARG 34 Cb 0.08 -0.87 -0.13 0.00 -0.45 0.00 0.00 34.95 33.58 1wha s ARG 34 CO 0.27 -0.46 1.37 0.00 -0.68 0.00 0.00 175.30 175.80 1wha n ALA 35 N 5.31 -0.16 -2.99 2.13 0.00 -1.26 0.14 120.51 123.68 1wha n ALA 35 Ca -0.05 0.19 -0.12 0.00 0.00 0.00 0.00 53.44 53.47 1wha n ALA 35 Cb 0.50 -1.40 0.04 0.00 0.00 0.00 0.00 19.45 18.58 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 4.48 0.21 3.02 0.00 0.00 -1.26 -5.04 105.19 106.59 1wha n GLY 36 Ca 0.33 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.12 1.47 -0.17 1.61 -1.08 0.38 -5.02 116.67 110.75 1wha s ASP 37 Ca 0.27 -0.24 0.17 0.00 -0.52 0.00 0.00 52.55 52.24 1wha s ASP 37 Cb -0.12 -0.50 0.45 0.00 -1.46 0.00 0.00 42.92 41.29 1wha s ASP 37 CO 0.33 0.06 1.33 0.00 0.52 0.00 0.00 175.17 177.42 1wha n ALA 38 N 3.47 2.81 -1.59 3.66 0.00 -1.26 -4.59 120.51 123.01 1wha n ALA 38 Ca -0.20 -2.46 0.00 0.00 0.00 0.00 0.00 53.44 50.77 1wha n ALA 38 Cb 0.53 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.85 1.45 3.09 0.00 0.00 -1.26 -4.43 105.19 103.20 1wha n GLY 39 Ca 0.20 -1.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.36 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 1.73 -0.17 0.13 -0.61 1.01 -1.26 0.90 121.20 122.93 1wha s ILE 40 Ca 0.00 0.17 0.05 0.00 0.00 0.00 0.00 60.65 60.88 1wha s ILE 40 Cb 0.00 -0.45 -0.04 0.00 0.01 0.00 0.00 42.46 41.98 1wha s ILE 40 CO 0.00 0.07 -0.12 -0.36 0.00 0.00 0.00 174.94 174.53 1wha s PHE 41 N 1.67 1.32 -0.01 3.97 0.40 0.12 -0.55 117.98 124.89 1wha s PHE 41 Ca -0.06 -0.62 -0.30 0.00 -0.60 0.00 0.00 56.93 55.34 1wha s PHE 41 Cb -0.11 -0.68 -0.05 0.00 0.51 0.00 0.00 43.02 42.69 1wha s PHE 41 CO -0.10 0.11 1.42 0.08 0.70 0.00 0.00 175.22 177.44 1wha s VAL 42 N -2.53 3.71 -0.13 -0.44 1.01 -0.89 0.54 120.40 121.67 1wha s VAL 42 Ca 0.11 1.07 0.19 0.00 0.00 0.00 0.00 61.98 63.35 1wha s VAL 42 Cb -0.02 -3.69 -0.24 0.00 0.00 0.00 0.00 36.38 32.43 1wha s VAL 42 CO 0.02 -0.01 0.43 -1.54 0.00 0.00 0.00 175.10 174.00 1wha n SER 43 N 5.56 0.30 -3.73 3.32 3.41 -0.89 -1.31 113.62 120.27 1wha n SER 43 Ca 0.13 0.13 -0.13 0.00 -0.26 0.00 0.00 58.87 58.75 1wha n SER 43 Cb 0.44 0.96 -0.07 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 -2.90 0.79 -0.03 4.33 6.06 -1.20 -4.96 118.95 121.05 1wha s ARG 44 Ca -0.07 -0.35 0.01 0.00 -2.50 0.00 0.00 55.73 52.83 1wha s ARG 44 Cb 0.09 0.35 0.01 0.00 0.06 0.00 0.00 34.95 35.46 1wha s ARG 44 CO 0.84 -0.25 -0.05 0.42 -2.50 0.00 0.00 175.30 173.77 1wha s ILE 45 N -2.08 0.52 -0.40 4.11 1.01 -1.26 0.22 121.20 123.32 1wha s ILE 45 Ca -0.08 -0.17 -0.28 0.00 0.00 0.00 0.00 60.65 60.13 1wha s ILE 45 Cb -0.02 -0.52 -0.07 0.00 0.01 0.00 0.00 42.46 41.86 1wha s ILE 45 CO -0.00 0.20 2.35 0.00 0.00 0.00 0.00 174.94 177.49 1wha n ALA 46 N 3.70 1.15 -2.13 9.38 0.00 -1.24 -4.80 120.51 126.59 1wha n ALA 46 Ca -0.22 -0.62 -0.42 0.00 0.00 0.00 0.00 53.44 52.18 1wha n ALA 46 Cb 0.53 -3.04 -0.03 0.00 0.00 0.00 0.00 19.45 16.92 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 7.50 4.21 0.00 0.00 2.56 -1.26 -2.19 118.70 129.52 1wha s GLU 47 Ca 1.01 2.05 0.00 0.00 0.00 0.00 0.00 54.97 58.03 1wha s GLU 47 Cb -0.31 -3.86 0.00 0.00 2.00 0.00 0.00 34.13 31.96 1wha s GLU 47 CO 0.32 -0.77 0.00 0.41 -0.56 0.00 0.00 175.26 174.66 1wha n GLY 48 N 3.94 2.52 0.00 -1.50 0.00 -1.26 -5.00 105.19 103.89 1wha n GLY 48 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 0.60 0.11 -0.02 0.00 -0.93 -4.71 105.19 98.23 1wha n GLY 49 Ca 0.00 -1.37 -0.15 0.00 0.00 0.00 0.00 46.02 44.50 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 1.19 -0.07 4.61 0.00 -1.26 -3.17 120.51 118.81 1wha n ALA 50 Ca 0.00 -0.68 -0.12 0.00 0.00 0.00 0.00 53.44 52.64 1wha n ALA 50 Cb 0.00 -0.77 -0.05 0.00 0.00 0.00 0.00 19.45 18.63 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 0.55 0.27 0.33 0.00 0.00 -1.86 -2.67 119.26 115.87 1wha h ALA 51 Ca -0.35 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 1wha h ALA 51 Cb 2.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1wha h ALA 51 CO 0.08 0.01 -0.16 1.25 0.00 0.00 0.00 179.25 180.44 1wha h HIS 52 N 0.11 -0.41 -0.94 0.00 6.17 -1.64 -3.24 115.15 115.20 1wha h HIS 52 Ca 0.05 -0.01 0.32 0.00 0.71 0.00 0.00 60.37 61.45 1wha h HIS 52 Cb 0.43 0.14 -0.17 0.00 2.52 0.00 0.00 27.41 30.33 1wha h HIS 52 CO 0.04 -0.25 0.25 -2.13 0.71 0.00 0.00 177.93 176.55 1wha n ARG 53 N -3.84 -0.07 -0.32 5.26 0.63 -1.19 0.26 116.66 117.39 1wha n ARG 53 Ca -0.05 1.35 0.03 0.00 -0.92 0.00 0.00 57.85 58.25 1wha n ARG 53 Cb 0.17 -2.27 0.10 0.00 0.45 0.00 0.00 32.46 30.91 1wha n ARG 53 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1wha h ALA 54 N 1.87 0.49 0.00 5.13 0.00 -1.49 -3.45 119.26 121.80 1wha h ALA 54 Ca 0.68 0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.91 1wha h ALA 54 Cb 1.62 0.74 0.00 0.00 0.00 0.00 0.00 17.79 20.15 1wha h ALA 54 CO -0.80 -0.45 0.00 0.41 0.00 0.00 0.00 179.25 178.41 1wha n GLY 55 N -1.55 2.53 0.29 0.00 0.00 0.14 -4.77 105.19 101.84 1wha n GLY 55 Ca 0.12 -0.55 0.06 0.00 0.00 0.00 0.00 46.02 45.66 1wha n GLY 55 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1wha h THR 56 N 0.00 0.69 -2.94 2.61 1.35 -1.87 -3.39 112.91 109.36 1wha h THR 56 Ca 0.00 -0.19 -0.54 0.00 -0.55 0.00 0.00 66.41 65.13 1wha h THR 56 Cb 0.00 0.10 -0.00 0.00 -1.73 0.00 0.00 68.15 66.52 1wha h THR 56 CO 0.00 0.10 0.81 -0.76 -0.25 0.00 0.00 175.52 175.42 1wha s LEU 57 N -10.40 4.32 -0.08 3.87 1.43 -1.26 -5.01 118.68 111.54 1wha s LEU 57 Ca -0.12 2.09 -0.06 0.00 -1.03 0.00 0.00 54.13 55.01 1wha s LEU 57 Cb 0.21 -3.56 0.03 0.00 0.03 0.00 0.00 46.19 42.90 1wha s LEU 57 CO 0.77 -0.70 0.21 0.00 0.23 0.00 0.00 176.35 176.87 1wha s GLN 58 N 2.28 0.22 -0.30 1.70 -2.07 -1.26 -4.83 119.66 115.41 1wha s GLN 58 Ca 0.63 0.36 -0.40 0.00 -1.82 0.00 0.00 55.36 54.13 1wha s GLN 58 Cb -0.31 0.03 -0.16 0.00 -1.09 0.00 0.00 33.01 31.48 1wha s GLN 58 CO 0.26 -0.08 1.78 0.28 -1.32 0.00 0.00 175.29 176.22 1wha n VAL 59 N 3.42 0.29 0.00 3.63 0.31 -1.26 -1.81 118.33 122.91 1wha n VAL 59 Ca -0.17 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1wha n VAL 59 Cb 0.56 -1.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.27 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 4.41 1.61 3.68 2.92 0.00 -0.43 -4.95 105.19 112.43 1wha n GLY 60 Ca 0.28 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 2.42 -4.88 1.61 9.92 -0.75 -4.53 116.55 120.33 1wha n ASP 61 Ca 0.00 1.14 -0.31 0.00 -0.53 0.00 0.00 54.79 55.09 1wha n ASP 61 Cb 0.00 -1.47 -0.05 0.00 -0.64 0.00 0.00 41.12 38.97 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 -2.03 3.73 -0.47 -1.24 3.52 -1.26 -2.10 118.95 119.10 1wha s ARG 62 Ca 0.59 0.14 -0.12 0.00 -0.13 0.00 0.00 55.73 56.21 1wha s ARG 62 Cb -0.55 -2.70 0.10 0.00 -1.56 0.00 0.00 34.95 30.25 1wha s ARG 62 CO 0.60 0.34 0.36 0.08 -0.81 0.00 0.00 175.30 175.87 1wha s VAL 63 N -1.82 4.58 0.11 7.11 1.01 0.29 -2.89 120.40 128.78 1wha s VAL 63 Ca 0.45 -1.53 -0.15 0.00 0.00 0.00 0.00 61.98 60.75 1wha s VAL 63 Cb -0.11 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 1wha s VAL 63 CO 0.23 -0.70 1.50 -0.07 0.00 0.00 0.00 175.10 176.07 1wha h LEU 64 N 8.58 0.66 -8.10 3.92 3.38 -0.91 -3.34 115.31 119.50 1wha h LEU 64 Ca -0.25 -0.37 -0.08 0.00 0.09 0.00 0.00 57.88 57.28 1wha h LEU 64 Cb 1.09 -0.18 -0.11 0.00 0.09 0.00 0.00 40.66 41.55 1wha h LEU 64 CO 0.88 0.88 -0.20 -0.44 0.09 0.00 0.00 178.44 179.64 1wha s SER 65 N -6.27 -0.05 -0.17 -0.43 0.01 -1.23 -1.09 113.70 104.46 1wha s SER 65 Ca -0.13 -0.85 -0.04 0.00 1.31 0.00 0.00 55.95 56.23 1wha s SER 65 Cb 0.09 0.51 0.07 0.00 0.21 0.00 0.00 66.02 66.90 1wha s SER 65 CO 0.80 -1.01 0.14 -0.63 0.41 0.00 0.00 173.24 172.94 1wha s ILE 66 N -3.98 -0.18 -1.46 1.44 1.01 -0.16 -1.31 121.20 116.56 1wha s ILE 66 Ca 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 60.65 60.75 1wha s ILE 66 Cb 0.01 -0.56 0.00 0.00 0.01 0.00 0.00 42.46 41.92 1wha s ILE 66 CO 0.04 -0.20 0.15 0.59 0.00 0.00 0.00 174.94 175.52 1wha n ASN 67 N 5.30 -5.27 0.00 3.58 4.13 0.10 -2.21 115.26 120.90 1wha n ASN 67 Ca -0.06 -0.08 0.00 0.00 1.68 0.00 0.00 54.58 56.12 1wha n ASN 67 Cb 0.49 -4.27 0.00 0.00 -1.54 0.00 0.00 39.78 34.46 1wha n ASN 67 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wha n GLY 68 N -1.13 0.65 2.91 7.41 0.00 -1.26 -5.05 105.19 108.72 1wha n GLY 68 Ca -0.18 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 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 1.32 -0.13 1.61 1.01 -0.94 -5.09 120.40 116.18 1wha s VAL 69 Ca 0.00 -0.97 -0.32 0.00 0.00 0.00 0.00 61.98 60.69 1wha s VAL 69 Cb 0.00 -1.57 -0.09 0.00 0.00 0.00 0.00 36.38 34.72 1wha s VAL 69 CO 0.00 -0.02 2.04 -0.67 0.00 0.00 0.00 175.10 176.44 1wha n ASP 70 N 4.77 3.37 -0.14 3.32 -0.08 -1.26 -0.99 116.55 125.54 1wha n ASP 70 Ca -0.12 0.68 0.05 0.00 -1.51 0.00 0.00 54.79 53.89 1wha n ASP 70 Cb 0.46 -1.44 0.07 0.00 2.34 0.00 0.00 41.12 42.55 1wha n ASP 70 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1wha n VAL 71 N 6.22 1.15 -0.32 5.18 0.24 -0.25 -4.70 118.33 125.84 1wha n VAL 71 Ca 0.27 -1.34 0.19 0.00 -2.04 0.00 0.00 64.34 61.42 1wha n VAL 71 Cb 0.35 0.17 0.44 0.00 -1.47 0.00 0.00 33.84 33.33 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 1.75 0.60 0.00 3.34 1.35 -1.47 -2.25 112.91 116.23 1wha h THR 72 Ca 0.00 -0.18 -0.03 0.00 -0.55 0.00 0.00 66.41 65.65 1wha h THR 72 Cb 0.98 0.03 -0.07 0.00 -1.73 0.00 0.00 68.15 67.37 1wha h THR 72 CO 0.00 0.10 -0.44 -0.62 -0.25 0.00 0.00 175.52 174.30 1wha n GLU 73 N -4.68 0.67 -2.95 4.72 -0.58 -1.26 -3.99 120.64 112.57 1wha n GLU 73 Ca 0.24 -2.07 -0.33 0.00 -0.42 0.00 0.00 57.16 54.57 1wha n GLU 73 Cb 0.75 -0.91 -0.07 0.00 -0.57 0.00 0.00 31.44 30.64 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 -1.45 3.18 0.84 0.62 0.00 -0.85 -4.94 121.76 119.15 1wha s ALA 74 Ca 0.23 0.27 -0.12 0.00 0.00 0.00 0.00 51.96 52.34 1wha s ALA 74 Cb 0.22 -2.99 0.10 0.00 0.00 0.00 0.00 23.12 20.45 1wha s ALA 74 CO -0.03 0.22 1.16 1.03 0.00 0.00 0.00 175.76 178.14 1wha s ARG 75 N -2.94 1.53 0.08 0.00 0.52 -1.26 -4.42 118.95 112.45 1wha s ARG 75 Ca 0.57 1.59 -0.32 0.00 -0.52 0.00 0.00 55.73 57.05 1wha s ARG 75 Cb -0.11 -1.78 -0.15 0.00 0.52 0.00 0.00 34.95 33.43 1wha s ARG 75 CO 0.16 -2.26 1.49 1.25 0.02 0.00 0.00 175.30 175.96 1wha h HIS 76 N -1.25 -1.26 -0.56 -0.53 -0.00 -1.86 -0.79 115.15 108.91 1wha h HIS 76 Ca -0.45 0.01 0.14 0.00 -0.00 0.00 0.00 60.37 60.07 1wha h HIS 76 Cb 1.27 0.49 -0.03 0.00 -0.00 0.00 0.00 27.41 29.15 1wha h HIS 76 CO 0.50 -0.59 0.39 -0.44 -0.00 0.00 0.00 177.93 177.79 1wha h ASP 77 N -0.88 0.11 0.22 3.26 3.32 -1.97 0.24 116.42 120.73 1wha h ASP 77 Ca -0.05 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1wha h ASP 77 Cb 0.77 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1wha h ASP 77 CO -0.07 0.06 -0.11 -0.74 -1.72 0.00 0.00 179.24 176.66 1wha h HIS 78 N 0.12 -0.27 -0.55 4.55 2.76 -1.67 -1.13 115.15 118.96 1wha h HIS 78 Ca 0.27 -0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.33 1wha h HIS 78 Cb 0.89 0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.92 1wha h HIS 78 CO -0.00 -0.01 -0.07 0.00 -1.30 0.00 0.00 177.93 176.55 1wha h ALA 79 N 0.21 0.85 -0.83 5.26 0.00 -0.38 -2.95 119.26 121.43 1wha h ALA 79 Ca -0.03 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1wha h ALA 79 Cb 0.38 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1wha h ALA 79 CO 0.05 0.66 0.48 0.28 0.00 0.00 0.00 179.25 180.72 1wha h VAL 80 N 0.89 1.23 -1.15 0.00 2.07 -0.94 -2.18 116.25 116.17 1wha h VAL 80 Ca 0.15 -0.54 0.33 0.00 0.82 0.00 0.00 66.70 67.47 1wha h VAL 80 Cb 0.61 0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 1wha h VAL 80 CO 0.04 0.25 1.02 0.28 0.02 0.00 0.00 177.57 179.18 1wha h SER 81 N 1.15 0.00 0.27 0.57 0.02 -1.01 0.96 113.55 115.51 1wha h SER 81 Ca 0.30 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.91 1wha h SER 81 Cb -0.02 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 1wha h SER 81 CO -0.05 0.00 -1.94 0.18 -1.14 0.00 0.00 176.83 173.88 1wha n LEU 82 N -3.71 1.64 0.08 5.07 4.77 -0.83 -3.54 117.00 120.47 1wha n LEU 82 Ca 0.25 0.26 -0.12 0.00 -0.03 0.00 0.00 56.01 56.37 1wha n LEU 82 Cb 1.39 -0.38 -0.08 0.00 -2.33 0.00 0.00 43.42 42.02 1wha n LEU 82 CO 0.33 0.62 0.46 -0.07 -1.33 0.00 0.00 177.39 177.40 1wha h LEU 83 N 0.03 -0.21 -0.98 2.23 3.38 0.81 -3.08 115.31 117.49 1wha h LEU 83 Ca -0.38 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.27 1wha h LEU 83 Cb 2.04 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.84 1wha h LEU 83 CO 0.07 0.28 0.00 0.35 0.09 0.00 0.00 178.44 179.23 1wha n THR 84 N -4.97 1.00 -0.95 0.22 -2.24 0.12 -4.80 114.28 102.66 1wha n THR 84 Ca -0.08 0.49 -0.37 0.00 -2.27 0.00 0.00 64.05 61.82 1wha n THR 84 Cb 0.26 -1.45 0.06 0.00 -2.10 0.00 0.00 70.33 67.10 1wha n THR 84 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wha n ALA 85 N -1.75 -5.28 -1.51 6.98 0.00 -1.17 -4.82 120.51 112.95 1wha n ALA 85 Ca 0.00 -1.08 -0.34 0.00 0.00 0.00 0.00 53.44 52.03 1wha n ALA 85 Cb 0.12 -1.07 0.04 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 -3.27 6.28 -2.73 0.00 0.00 -1.26 -4.95 120.51 114.58 1wha n ALA 86 Ca -0.01 -3.43 -0.35 0.00 0.00 0.00 0.00 53.44 49.64 1wha n ALA 86 Cb 0.66 -1.86 -0.09 0.00 0.00 0.00 0.00 19.45 18.16 1wha n ALA 86 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1wha s SER 87 N -1.02 5.45 0.20 0.00 1.04 -1.26 -5.02 113.70 113.09 1wha s SER 87 Ca 0.55 0.20 -0.04 0.00 0.48 0.00 0.00 55.95 57.14 1wha s SER 87 Cb 0.44 -1.60 0.14 0.00 0.10 0.00 0.00 66.02 65.10 1wha s SER 87 CO -0.19 0.37 1.55 1.55 0.98 0.00 0.00 173.24 177.51 1wha h PRO 88 N 5.20 0.65 -5.70 4.02 0.13 -1.93 -3.39 132.00 130.98 1wha h PRO 88 Ca -0.51 -0.34 -0.66 0.00 -0.87 0.00 0.00 66.00 63.62 1wha h PRO 88 Cb 1.20 0.01 -0.19 0.00 0.13 0.00 0.00 31.00 32.16 1wha h PRO 88 CO 0.56 0.95 -0.65 0.95 -0.23 0.00 0.00 178.00 179.57 1wha s THR 89 N -4.25 4.04 -0.26 1.56 -4.23 -1.26 -1.83 115.64 109.41 1wha s THR 89 Ca -0.08 -0.33 -0.01 0.00 -1.18 0.00 0.00 61.69 60.09 1wha s THR 89 Cb 0.12 -2.73 0.08 0.00 1.34 0.00 0.00 72.50 71.32 1wha s THR 89 CO 0.84 0.55 0.06 -0.63 -0.54 0.00 0.00 174.62 174.90 1wha s ILE 90 N -0.30 0.82 -0.32 2.99 1.01 -1.19 -4.95 121.20 119.27 1wha s ILE 90 Ca 0.05 -1.09 -0.16 0.00 0.00 0.00 0.00 60.65 59.45 1wha s ILE 90 Cb -0.12 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 1wha s ILE 90 CO 0.02 -0.46 0.43 0.00 0.00 0.00 0.00 174.94 174.93 1wha s ALA 91 N 1.68 3.52 0.19 9.38 0.00 -1.26 -3.48 121.76 131.79 1wha s ALA 91 Ca 0.04 -0.98 0.08 0.00 0.00 0.00 0.00 51.96 51.11 1wha s ALA 91 Cb -0.17 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 1wha s ALA 91 CO -0.18 -0.96 -0.02 -0.51 0.00 0.00 0.00 175.76 174.10 1wha s LEU 92 N 2.18 3.24 -0.25 0.00 1.43 -1.00 0.02 118.68 124.30 1wha s LEU 92 Ca 0.16 -0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1wha s LEU 92 Cb -0.16 -1.88 0.02 0.00 0.03 0.00 0.00 46.19 44.20 1wha s LEU 92 CO 0.11 0.08 -0.05 -0.22 0.23 0.00 0.00 176.35 176.51 1wha s LEU 93 N -3.02 3.23 0.23 1.79 2.96 -0.43 -1.92 118.68 121.53 1wha s LEU 93 Ca 0.27 -0.82 0.07 0.00 -0.22 0.00 0.00 54.13 53.43 1wha s LEU 93 Cb -0.09 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 1wha s LEU 93 CO 0.18 -0.13 0.15 -0.76 -1.32 0.00 0.00 176.35 174.48 1wha s LEU 94 N 1.35 3.71 -0.15 -0.68 1.43 -1.00 -0.20 118.68 123.14 1wha s LEU 94 Ca 0.01 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1wha s LEU 94 Cb -0.16 -2.27 0.02 0.00 0.03 0.00 0.00 46.19 43.81 1wha s LEU 94 CO -0.04 -0.00 -0.17 -0.70 0.23 0.00 0.00 176.35 175.67 1wha s GLU 95 N -3.62 2.58 -0.26 1.70 2.12 -1.14 -2.86 118.70 117.21 1wha s GLU 95 Ca 0.32 -0.68 -0.14 0.00 0.36 0.00 0.00 54.97 54.84 1wha s GLU 95 Cb -0.08 -2.24 -0.04 0.00 0.26 0.00 0.00 34.13 32.03 1wha s GLU 95 CO 0.24 -0.16 0.32 0.50 -0.54 0.00 0.00 175.26 175.61 1wha s ARG 96 N 1.24 4.02 -0.39 4.30 3.52 -1.21 -4.41 118.95 126.02 1wha s ARG 96 Ca 0.01 -0.05 -0.16 0.00 -0.13 0.00 0.00 55.73 55.39 1wha s ARG 96 Cb -0.14 -3.64 0.01 0.00 -1.56 0.00 0.00 34.95 29.63 1wha s ARG 96 CO -0.08 -0.21 0.40 -1.21 -0.81 0.00 0.00 175.30 173.39 1wha s GLU 97 N 1.85 3.25 -0.42 5.12 2.02 -1.26 -2.40 118.70 126.86 1wha s GLU 97 Ca 0.13 -0.66 0.05 0.00 0.02 0.00 0.00 54.97 54.51 1wha s GLU 97 Cb -0.16 -3.91 0.64 0.00 0.10 0.00 0.00 34.13 30.81 1wha s GLU 97 CO 0.10 -0.73 1.84 0.00 0.02 0.00 0.00 175.26 176.49 1wha n ALA 98 N 5.49 5.38 -1.00 5.21 0.00 -1.26 -4.89 120.51 129.43 1wha n ALA 98 Ca -0.08 -2.93 0.00 0.00 0.00 0.00 0.00 53.44 50.42 1wha n ALA 98 Cb 0.48 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.13 -1.75 3.04 0.00 0.00 -1.26 -1.81 105.19 102.28 1wha n GLY 99 Ca 0.55 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.62 -0.18 0.00 1.61 0.01 -1.26 -4.14 113.70 108.12 1wha s SER 100 Ca 0.00 0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.61 1wha s SER 100 Cb 0.00 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.57 1wha s SER 100 CO 0.00 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.19 1wha n GLY 101 N 3.18 -1.16 0.25 3.44 0.00 -1.26 -4.93 105.19 104.71 1wha n GLY 101 Ca -0.15 0.45 0.17 0.00 0.00 0.00 0.00 46.02 46.49 1wha n GLY 101 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wha h PRO 102 N 0.00 0.00 -3.24 1.61 0.13 -2.00 -3.47 132.00 125.03 1wha h PRO 102 Ca 0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.96 1wha h PRO 102 Cb 0.00 0.00 0.06 0.00 0.13 0.00 0.00 31.00 31.19 1wha h PRO 102 CO 0.00 0.00 -0.31 0.43 -0.23 0.00 0.00 178.00 177.89 1wha n SER 103 N -2.93 -3.48 -4.45 1.44 7.64 -1.26 -4.97 113.62 105.59 1wha n SER 103 Ca 0.01 -0.25 -0.36 0.00 1.01 0.00 0.00 58.87 59.28 1wha n SER 103 Cb 0.28 -2.50 0.06 0.00 -1.01 0.00 0.00 64.21 61.04 1wha n SER 103 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wha n SER 104 N -0.82 -1.28 0.00 6.43 2.88 -1.26 -5.03 113.62 114.53 1wha n SER 104 Ca -0.03 0.61 0.00 0.00 -1.33 0.00 0.00 58.87 58.12 1wha n SER 104 Cb 0.54 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.80 1wha n SER 104 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42