#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wha n SER 2 N 0.00 3.83 -2.20 1.61 3.41 -1.26 -5.04 113.62 113.96 1wha n SER 2 Ca 0.00 -0.01 -0.11 0.00 -0.26 0.00 0.00 58.87 58.49 1wha n SER 2 Cb 0.00 0.44 0.04 0.00 -0.26 0.00 0.00 64.21 64.44 1wha n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wha n SER 3 N -2.28 -3.41 -1.43 4.04 2.88 -1.26 -4.67 113.62 107.49 1wha n SER 3 Ca -0.08 -0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.16 1wha n SER 3 Cb 0.64 -2.93 0.00 0.00 -0.75 0.00 0.00 64.21 61.17 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 -1.21 -4.27 0.34 0.46 0.00 -1.26 -5.05 105.19 94.19 1wha n GLY 4 Ca -0.06 -0.39 -0.04 0.00 0.00 0.00 0.00 46.02 45.54 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 0.83 0.98 -4.01 1.61 2.88 -1.26 -5.03 113.62 109.62 1wha n SER 5 Ca 0.00 0.16 -0.36 0.00 -1.33 0.00 0.00 58.87 57.34 1wha n SER 5 Cb 0.00 -0.51 0.04 0.00 -0.75 0.00 0.00 64.21 62.99 1wha n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wha n SER 6 N -3.47 -5.54 -3.82 -3.46 3.41 -1.26 -4.73 113.62 94.75 1wha n SER 6 Ca -0.06 0.16 -0.29 0.00 -0.26 0.00 0.00 58.87 58.42 1wha n SER 6 Cb 0.21 -0.73 -0.16 0.00 -0.26 0.00 0.00 64.21 63.27 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 -1.02 0.95 0.06 5.00 0.00 0.59 -4.95 107.32 107.95 1wha s GLY 7 Ca 0.40 -0.96 -0.08 0.00 0.00 0.00 0.00 44.72 44.08 1wha s GLY 7 CO 0.80 1.20 0.35 0.50 0.00 0.00 0.00 173.10 175.95 1wha s ARG 8 N 1.66 3.67 0.34 2.90 0.52 -1.26 -1.21 118.95 125.58 1wha s ARG 8 Ca -0.03 0.04 -0.00 0.00 -0.52 0.00 0.00 55.73 55.22 1wha s ARG 8 Cb -0.18 -3.01 -0.00 0.00 0.52 0.00 0.00 34.95 32.28 1wha s ARG 8 CO -0.07 0.58 0.44 -1.01 0.02 0.00 0.00 175.30 175.25 1wha s HIS 9 N -1.40 1.23 -0.21 -0.53 3.76 -1.11 -5.00 115.29 112.04 1wha s HIS 9 Ca 0.32 -1.39 0.02 0.00 -0.15 0.00 0.00 55.06 53.86 1wha s HIS 9 Cb -0.13 -0.22 0.03 0.00 1.11 0.00 0.00 32.58 33.37 1wha s HIS 9 CO 0.18 -1.09 -0.16 0.54 -0.85 0.00 0.00 174.74 173.36 1wha s VAL 10 N -3.10 2.06 -0.28 -0.90 0.11 -1.26 -2.94 120.40 114.08 1wha s VAL 10 Ca 0.33 -1.15 -0.08 0.00 -2.93 0.00 0.00 61.98 58.14 1wha s VAL 10 Cb 0.00 -1.97 -0.01 0.00 -1.53 0.00 0.00 36.38 32.87 1wha s VAL 10 CO 0.22 0.34 0.10 0.00 -3.33 0.00 0.00 175.10 172.43 1wha s ALA 11 N 1.24 3.18 -0.15 1.54 0.00 -0.40 -4.89 121.76 122.27 1wha s ALA 11 Ca 0.00 -1.31 -0.05 0.00 0.00 0.00 0.00 51.96 50.61 1wha s ALA 11 Cb -0.15 -2.21 -0.03 0.00 0.00 0.00 0.00 23.12 20.73 1wha s ALA 11 CO -0.10 -0.75 0.00 0.00 0.00 0.00 0.00 175.76 174.91 1wha s LEU 13 N 0.09 1.34 -0.12 0.00 1.43 -1.25 -4.99 118.68 115.19 1wha s LEU 13 Ca 0.02 -1.47 -0.21 0.00 -1.03 0.00 0.00 54.13 51.44 1wha s LEU 13 Cb -0.13 0.36 -0.04 0.00 0.03 0.00 0.00 46.19 46.42 1wha s LEU 13 CO 0.02 -0.87 0.61 0.00 0.23 0.00 0.00 176.35 176.34 1wha s ALA 14 N -3.95 3.43 0.24 4.21 0.00 -1.26 -3.72 121.76 120.71 1wha s ALA 14 Ca 0.39 -0.07 -0.30 0.00 0.00 0.00 0.00 51.96 51.97 1wha s ALA 14 Cb 0.06 -2.86 -0.10 0.00 0.00 0.00 0.00 23.12 20.21 1wha s ALA 14 CO 0.15 -0.19 1.52 0.50 0.00 0.00 0.00 175.76 177.75 1wha s ARG 15 N 1.03 4.21 0.03 0.00 3.52 -1.14 -4.59 118.95 122.02 1wha s ARG 15 Ca 0.32 2.40 0.02 0.00 -0.13 0.00 0.00 55.73 58.34 1wha s ARG 15 Cb -0.16 -3.10 -0.02 0.00 -1.56 0.00 0.00 34.95 30.11 1wha s ARG 15 CO 0.14 -0.53 -0.08 -1.54 -0.81 0.00 0.00 175.30 172.47 1wha s SER 16 N 0.62 0.89 0.30 -2.12 1.04 -1.26 -4.86 113.70 108.30 1wha s SER 16 Ca 0.64 -0.42 0.18 0.00 0.48 0.00 0.00 55.95 56.83 1wha s SER 16 Cb -0.44 -0.01 1.00 0.00 0.10 0.00 0.00 66.02 66.67 1wha s SER 16 CO 0.41 -0.10 1.54 -1.84 0.98 0.00 0.00 173.24 174.23 1wha n GLU 17 N 1.91 0.12 0.16 4.02 0.28 -1.26 0.02 120.64 125.89 1wha n GLU 17 Ca -0.19 0.61 0.12 0.00 -0.16 0.00 0.00 57.16 57.54 1wha n GLU 17 Cb 0.56 -1.96 0.20 0.00 1.43 0.00 0.00 31.44 31.67 1wha n GLU 17 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1wha h ARG 18 N 0.00 0.00 0.00 3.44 2.47 -1.98 -3.47 114.38 114.84 1wha h ARG 18 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1wha h ARG 18 Cb 0.13 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.45 1wha h ARG 18 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.94 1wha n GLY 19 N 1.19 1.00 2.73 0.04 0.00 0.10 -4.70 105.19 105.55 1wha n GLY 19 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.37 0.00 0.99 4.77 -1.01 -3.42 117.00 115.96 1wha n LEU 20 Ca 0.00 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 1wha n LEU 20 Cb 0.00 -2.75 0.00 0.00 -2.33 0.00 0.00 43.42 38.34 1wha n LEU 20 CO 0.00 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 1wha n GLY 21 N -1.33 1.20 3.89 -0.72 0.00 -1.26 -4.68 105.19 102.29 1wha n GLY 21 Ca -0.14 -0.02 -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 3.51 0.44 1.61 -0.71 -1.22 -2.44 117.98 119.16 1wha s PHE 22 Ca 0.00 0.64 0.08 0.00 -1.04 0.00 0.00 56.93 56.61 1wha s PHE 22 Cb 0.00 -2.06 0.00 0.00 -1.21 0.00 0.00 43.02 39.76 1wha s PHE 22 CO 0.00 0.46 0.50 -1.12 -1.34 0.00 0.00 175.22 173.72 1wha s SER 23 N -2.18 5.31 0.13 1.98 0.01 -0.19 -4.79 113.70 113.97 1wha s SER 23 Ca 0.38 -0.63 0.06 0.00 1.31 0.00 0.00 55.95 57.08 1wha s SER 23 Cb -0.13 -0.50 -0.04 0.00 0.21 0.00 0.00 66.02 65.57 1wha s SER 23 CO 0.22 -0.78 -0.15 0.27 0.41 0.00 0.00 173.24 173.21 1wha s ILE 24 N -2.45 1.44 -0.00 1.44 -4.36 -1.26 -2.65 121.20 113.36 1wha s ILE 24 Ca 0.52 -1.74 -0.03 0.00 -0.26 0.00 0.00 60.65 59.13 1wha s ILE 24 Cb -0.06 -1.59 -0.00 0.00 1.25 0.00 0.00 42.46 42.06 1wha s ILE 24 CO 0.31 -0.38 0.06 0.00 0.24 0.00 0.00 174.94 175.17 1wha s ALA 25 N -2.06 -0.13 0.00 2.27 0.00 0.18 -4.64 121.76 117.38 1wha s ALA 25 Ca 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.90 1wha s ALA 25 Cb -0.05 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.10 1wha s ALA 25 CO 0.04 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.08 1wha n GLY 26 N 2.08 1.16 1.01 0.00 0.00 -1.23 -0.10 105.19 108.11 1wha n GLY 26 Ca -0.19 -0.86 0.05 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.13 3.40 -0.02 0.00 0.14 -2.42 105.19 104.16 1wha n GLY 27 Ca 0.00 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.22 2.88 0.00 1.61 -0.14 -1.25 -4.45 119.74 117.18 1wha s LYS 28 Ca 0.00 -1.05 0.00 0.00 -1.36 0.00 0.00 55.97 53.56 1wha s LYS 28 Cb 0.00 -3.79 0.00 0.00 -1.68 0.00 0.00 37.83 32.36 1wha s LYS 28 CO 0.00 -0.70 0.00 0.41 -0.76 0.00 0.00 175.35 174.30 1wha n GLY 29 N 5.04 2.72 0.00 -3.33 0.00 -1.26 -4.70 105.19 103.66 1wha n GLY 29 Ca -0.12 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.54 0.00 -3.64 1.61 2.88 -1.26 -4.90 113.62 108.85 1wha n SER 30 Ca 0.00 0.92 -0.04 0.00 -1.33 0.00 0.00 58.87 58.42 1wha n SER 30 Cb 0.00 -0.42 -0.07 0.00 -0.75 0.00 0.00 64.21 62.97 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 -2.69 0.00 -1.07 2.46 2.01 -1.02 -5.08 115.64 110.26 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 -0.07 0.00 0.01 0.00 0.00 72.50 71.44 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 1.41 2.52 0.50 4.92 0.04 -1.26 -3.50 135.00 139.63 1wha s PRO 32 Ca -0.09 -0.80 0.45 0.00 0.04 0.00 0.00 61.00 60.61 1wha s PRO 32 Cb -0.04 -5.17 1.56 0.00 0.04 0.00 0.00 34.50 30.89 1wha s PRO 32 CO -0.16 -3.73 1.41 0.98 0.04 0.00 0.00 177.00 175.53 1wha n TYR 33 N 14.22 0.00 -3.78 0.56 9.36 -1.26 -4.21 117.16 132.05 1wha n TYR 33 Ca 0.43 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.52 1wha n TYR 33 Cb 0.47 -0.44 -0.11 0.00 -0.63 0.00 0.00 39.34 38.62 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 -4.66 0.35 -0.53 2.98 0.52 -1.26 -5.01 118.95 111.34 1wha s ARG 34 Ca -0.04 0.32 -0.33 0.00 -0.52 0.00 0.00 55.73 55.16 1wha s ARG 34 Cb 0.24 0.17 -0.13 0.00 0.52 0.00 0.00 34.95 35.75 1wha s ARG 34 CO 0.80 -0.05 2.35 0.00 0.02 0.00 0.00 175.30 178.42 1wha n ALA 35 N 2.77 0.80 -0.34 2.13 0.00 -1.26 0.57 120.51 125.19 1wha n ALA 35 Ca -0.14 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1wha n ALA 35 Cb 0.58 -2.62 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 6.46 0.90 3.02 0.00 0.00 -1.26 -5.08 105.19 109.23 1wha n GLY 36 Ca 0.46 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.30 2.45 -0.07 1.61 1.01 0.19 -4.99 116.67 114.58 1wha s ASP 37 Ca 0.00 -0.42 0.11 0.00 0.71 0.00 0.00 52.55 52.94 1wha s ASP 37 Cb 0.00 -1.07 0.27 0.00 1.01 0.00 0.00 42.92 43.12 1wha s ASP 37 CO 0.00 -0.02 1.20 0.00 0.21 0.00 0.00 175.17 176.55 1wha n ALA 38 N 4.46 2.33 -1.57 5.23 0.00 -1.26 -4.14 120.51 125.56 1wha n ALA 38 Ca -0.18 -1.66 0.00 0.00 0.00 0.00 0.00 53.44 51.60 1wha n ALA 38 Cb 0.51 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.59 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 -0.40 1.47 2.70 0.00 0.00 -1.26 -4.28 105.19 103.43 1wha n GLY 39 Ca 0.11 -1.67 -0.21 0.00 0.00 0.00 0.00 46.02 44.25 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 2.06 0.06 0.14 -0.61 1.01 -1.26 0.28 121.20 122.89 1wha s ILE 40 Ca 0.00 0.31 0.08 0.00 0.00 0.00 0.00 60.65 61.04 1wha s ILE 40 Cb 0.00 -0.29 -0.04 0.00 0.01 0.00 0.00 42.46 42.14 1wha s ILE 40 CO 0.00 0.20 -0.18 -0.36 0.00 0.00 0.00 174.94 174.60 1wha s PHE 41 N 2.10 1.74 0.02 3.97 0.40 0.86 -0.28 117.98 126.79 1wha s PHE 41 Ca 0.05 -0.47 -0.30 0.00 -0.60 0.00 0.00 56.93 55.61 1wha s PHE 41 Cb -0.12 -0.89 -0.07 0.00 0.51 0.00 0.00 43.02 42.45 1wha s PHE 41 CO -0.04 0.27 1.59 0.08 0.70 0.00 0.00 175.22 177.82 1wha s VAL 42 N -1.85 3.36 -0.63 -0.44 1.01 -0.42 0.49 120.40 121.92 1wha s VAL 42 Ca 0.12 0.71 0.22 0.00 0.00 0.00 0.00 61.98 63.03 1wha s VAL 42 Cb -0.07 -3.46 -0.20 0.00 0.00 0.00 0.00 36.38 32.66 1wha s VAL 42 CO 0.05 -0.02 0.87 -1.54 0.00 0.00 0.00 175.10 174.47 1wha n SER 43 N 5.94 0.61 -3.50 3.32 3.41 -1.08 -1.86 113.62 120.46 1wha n SER 43 Ca 0.15 -0.44 -0.11 0.00 -0.26 0.00 0.00 58.87 58.21 1wha n SER 43 Cb 0.42 1.12 -0.03 0.00 -0.26 0.00 0.00 64.21 65.45 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 -3.19 0.94 -0.03 4.33 6.06 -1.25 -4.96 118.95 120.85 1wha s ARG 44 Ca 0.03 -0.17 0.01 0.00 -2.50 0.00 0.00 55.73 53.10 1wha s ARG 44 Cb 0.15 0.44 0.02 0.00 0.06 0.00 0.00 34.95 35.62 1wha s ARG 44 CO 0.85 -0.38 -0.03 0.42 -2.50 0.00 0.00 175.30 173.66 1wha s ILE 45 N -2.60 0.40 -0.40 4.11 1.01 -1.26 -1.03 121.20 121.43 1wha s ILE 45 Ca -0.00 -0.06 -0.28 0.00 0.00 0.00 0.00 60.65 60.30 1wha s ILE 45 Cb -0.01 -0.44 -0.08 0.00 0.01 0.00 0.00 42.46 41.94 1wha s ILE 45 CO -0.05 0.19 2.34 0.00 0.00 0.00 0.00 174.94 177.41 1wha n ALA 46 N 3.96 1.16 -2.09 9.38 0.00 -1.02 -4.80 120.51 127.10 1wha n ALA 46 Ca -0.25 -0.53 -0.42 0.00 0.00 0.00 0.00 53.44 52.24 1wha n ALA 46 Cb 0.51 -2.95 -0.03 0.00 0.00 0.00 0.00 19.45 16.98 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 7.35 4.25 0.00 0.00 -6.30 -1.26 -1.59 118.70 121.15 1wha s GLU 47 Ca 1.03 2.13 0.00 0.00 -2.50 0.00 0.00 54.97 55.64 1wha s GLU 47 Cb -0.40 -3.54 0.00 0.00 0.00 0.00 0.00 34.13 30.19 1wha s GLU 47 CO 0.34 -0.62 0.00 0.41 0.02 0.00 0.00 175.26 175.41 1wha n GLY 48 N 3.77 1.63 0.00 -1.50 0.00 -1.26 -4.95 105.19 102.88 1wha n GLY 48 Ca 0.14 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 -3.31 0.15 -0.02 0.00 -1.15 -4.29 105.19 96.56 1wha n GLY 49 Ca 0.00 -1.15 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 1wha n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wha h ALA 50 N -2.00 -0.27 -0.25 4.61 0.00 -1.94 -1.95 119.26 117.46 1wha h ALA 50 Ca 0.00 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1wha h ALA 50 Cb 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1wha h ALA 50 CO 0.00 -0.47 -0.26 0.00 0.00 0.00 0.00 179.25 178.53 1wha h ALA 51 N 0.04 -0.45 0.33 0.00 0.00 -1.84 0.16 119.26 117.52 1wha h ALA 51 Ca -0.03 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1wha h ALA 51 Cb 0.46 0.97 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1wha h ALA 51 CO 0.05 -0.59 -0.39 1.25 0.00 0.00 0.00 179.25 179.57 1wha h HIS 52 N -0.13 -1.08 -0.81 0.00 6.17 -1.40 -2.57 115.15 115.33 1wha h HIS 52 Ca 0.04 0.01 0.17 0.00 0.71 0.00 0.00 60.37 61.31 1wha h HIS 52 Cb 0.25 0.43 -0.15 0.00 2.52 0.00 0.00 27.41 30.45 1wha h HIS 52 CO -0.74 -0.50 -0.16 -2.13 0.71 0.00 0.00 177.93 175.11 1wha n ARG 53 N -4.72 -0.07 -0.28 5.26 0.00 -0.73 0.54 116.66 116.66 1wha n ARG 53 Ca -0.09 1.25 -0.03 0.00 -0.00 0.00 0.00 57.85 58.98 1wha n ARG 53 Cb 0.34 -1.89 0.02 0.00 0.00 0.00 0.00 32.46 30.94 1wha n ARG 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wha h ALA 54 N 1.61 0.06 0.00 5.13 0.00 -0.54 -3.46 119.26 122.07 1wha h ALA 54 Ca 0.41 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.53 1wha h ALA 54 Cb 0.67 0.86 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1wha h ALA 54 CO -0.82 -0.64 0.00 0.41 0.00 0.00 0.00 179.25 178.20 1wha n GLY 55 N -1.45 2.70 0.27 0.00 0.00 0.19 -4.82 105.19 102.07 1wha n GLY 55 Ca 0.07 -0.65 0.04 0.00 0.00 0.00 0.00 46.02 45.48 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 0.33 -2.23 2.61 1.03 -1.87 -3.39 112.91 109.39 1wha h THR 56 Ca 0.00 -0.03 -0.58 0.00 -0.01 0.00 0.00 66.41 65.79 1wha h THR 56 Cb 0.00 0.25 0.04 0.00 -1.07 0.00 0.00 68.15 67.37 1wha h THR 56 CO 0.00 0.01 1.01 0.18 -0.01 0.00 0.00 175.52 176.71 1wha n LEU 57 N -5.38 3.50 -3.78 0.00 4.77 -1.26 -4.97 117.00 109.87 1wha n LEU 57 Ca 0.12 1.01 -0.13 0.00 -0.03 0.00 0.00 56.01 56.98 1wha n LEU 57 Cb 0.44 -1.43 -0.13 0.00 -2.33 0.00 0.00 43.42 39.96 1wha n LEU 57 CO 0.04 -0.07 -0.20 -1.10 -1.33 0.00 0.00 177.39 174.73 1wha s GLN 58 N 2.76 0.14 -0.39 3.23 -0.21 -1.26 -4.88 119.66 119.06 1wha s GLN 58 Ca 0.86 0.31 -0.33 0.00 0.02 0.00 0.00 55.36 56.21 1wha s GLN 58 Cb -0.63 -0.05 -0.11 0.00 1.00 0.00 0.00 33.01 33.22 1wha s GLN 58 CO 0.44 -0.10 2.24 0.28 -2.12 0.00 0.00 175.29 176.03 1wha n VAL 59 N 3.65 0.16 0.00 1.09 0.31 -1.26 -1.59 118.33 120.70 1wha n VAL 59 Ca -0.20 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 1wha n VAL 59 Cb 0.55 -1.76 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 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 6.43 1.28 3.77 2.92 0.00 -0.77 -4.98 105.19 113.84 1wha n GLY 60 Ca 0.41 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.44 6.30 -0.07 1.61 1.11 -0.62 -4.60 116.67 119.96 1wha s ASP 61 Ca 0.00 2.86 -0.11 0.00 0.18 0.00 0.00 52.55 55.48 1wha s ASP 61 Cb 0.00 -2.65 -0.05 0.00 1.07 0.00 0.00 42.92 41.29 1wha s ASP 61 CO 0.00 -0.88 0.28 -0.60 1.18 0.00 0.00 175.17 175.15 1wha s ARG 62 N -2.16 3.75 -0.49 8.23 3.52 -1.26 -1.31 118.95 129.23 1wha s ARG 62 Ca 0.55 0.15 -0.21 0.00 -0.13 0.00 0.00 55.73 56.09 1wha s ARG 62 Cb -0.43 -3.23 0.04 0.00 -1.56 0.00 0.00 34.95 29.78 1wha s ARG 62 CO 0.56 0.69 0.73 0.08 -0.81 0.00 0.00 175.30 176.55 1wha s VAL 63 N -0.91 4.70 -0.07 7.11 1.01 0.62 -2.83 120.40 130.03 1wha s VAL 63 Ca 0.19 0.01 -0.27 0.00 0.00 0.00 0.00 61.98 61.92 1wha s VAL 63 Cb -0.14 -4.34 -0.23 0.00 0.00 0.00 0.00 36.38 31.67 1wha s VAL 63 CO 0.08 -0.81 1.05 -0.07 0.00 0.00 0.00 175.10 175.36 1wha h LEU 64 N 10.09 -0.00 -7.63 3.92 3.38 -1.18 -3.32 115.31 120.56 1wha h LEU 64 Ca -0.26 -0.69 -0.14 0.00 0.09 0.00 0.00 57.88 56.88 1wha h LEU 64 Cb 1.09 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.63 1wha h LEU 64 CO 0.97 0.69 -0.42 -0.44 0.09 0.00 0.00 178.44 179.34 1wha s SER 65 N -5.90 -0.09 -0.36 -0.43 0.01 -1.24 -0.38 113.70 105.31 1wha s SER 65 Ca -0.17 0.00 0.02 0.00 1.31 0.00 0.00 55.95 57.11 1wha s SER 65 Cb -0.00 0.29 0.10 0.00 0.21 0.00 0.00 66.02 66.61 1wha s SER 65 CO 0.68 -0.34 0.09 -0.63 0.41 0.00 0.00 173.24 173.44 1wha s ILE 66 N -1.10 2.58 -0.71 1.44 1.01 -0.49 -1.24 121.20 122.70 1wha s ILE 66 Ca -0.12 -2.23 -0.02 0.00 0.00 0.00 0.00 60.65 58.29 1wha s ILE 66 Cb -0.06 -2.84 0.00 0.00 0.01 0.00 0.00 42.46 39.57 1wha s ILE 66 CO 0.02 -0.60 0.22 -3.20 0.00 0.00 0.00 174.94 171.38 1wha n ASN 67 N 4.36 -3.49 0.00 3.58 2.85 0.28 -2.65 115.26 120.19 1wha n ASN 67 Ca 0.01 -0.10 0.00 0.00 -0.11 0.00 0.00 54.58 54.38 1wha n ASN 67 Cb 0.42 -2.47 0.00 0.00 1.24 0.00 0.00 39.78 38.97 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 -1.07 1.10 3.37 8.20 0.00 -1.26 -4.98 105.19 110.54 1wha n GLY 68 Ca -0.06 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.99 4.98 -0.35 1.61 1.01 -1.08 -5.01 120.40 118.58 1wha s VAL 69 Ca 0.00 -1.07 -0.37 0.00 0.00 0.00 0.00 61.98 60.54 1wha s VAL 69 Cb 0.00 -4.38 -0.13 0.00 0.00 0.00 0.00 36.38 31.87 1wha s VAL 69 CO 0.00 -0.94 2.11 -0.67 0.00 0.00 0.00 175.10 175.59 1wha n ASP 70 N 5.88 2.05 -0.17 3.32 2.03 -1.26 -1.39 116.55 127.00 1wha n ASP 70 Ca -0.11 0.56 0.02 0.00 0.52 0.00 0.00 54.79 55.78 1wha n ASP 70 Cb 0.42 -1.20 0.04 0.00 -0.72 0.00 0.00 41.12 39.65 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 6.67 0.68 -0.33 5.18 0.24 0.04 -4.66 118.33 126.14 1wha n VAL 71 Ca 0.40 -0.84 -0.03 0.00 -2.04 0.00 0.00 64.34 61.83 1wha n VAL 71 Cb 0.18 0.68 0.01 0.00 -1.47 0.00 0.00 33.84 33.25 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 0.62 0.04 -0.32 3.34 1.35 -0.82 0.69 112.91 117.81 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 0.43 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 66.89 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 -5.44 3.29 -1.45 4.72 1.02 -1.26 -4.30 120.64 117.22 1wha n GLU 73 Ca 0.07 -2.91 -0.30 0.00 -0.02 0.00 0.00 57.16 54.01 1wha n GLU 73 Cb 0.37 -1.93 0.12 0.00 -0.02 0.00 0.00 31.44 29.99 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 -2.82 1.90 0.54 0.62 0.00 0.23 -4.86 121.76 117.37 1wha s ALA 74 Ca 0.45 -0.26 -0.11 0.00 0.00 0.00 0.00 51.96 52.04 1wha s ALA 74 Cb 0.36 -3.11 -0.05 0.00 0.00 0.00 0.00 23.12 20.32 1wha s ALA 74 CO 0.10 -2.07 0.93 1.03 0.00 0.00 0.00 175.76 175.75 1wha s ARG 75 N -5.12 3.67 0.11 0.00 3.00 -1.26 -3.81 118.95 115.54 1wha s ARG 75 Ca 0.62 0.62 -0.30 0.00 0.00 0.00 0.00 55.73 56.67 1wha s ARG 75 Cb -0.16 -2.20 -0.10 0.00 0.00 0.00 0.00 34.95 32.50 1wha s ARG 75 CO 0.55 -0.36 1.60 1.25 0.00 0.00 0.00 175.30 178.33 1wha h HIS 76 N 0.24 -1.08 -0.74 -0.53 2.76 -1.86 -0.60 115.15 113.34 1wha h HIS 76 Ca -0.46 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 57.69 1wha h HIS 76 Cb 1.19 0.46 -0.03 0.00 1.55 0.00 0.00 27.41 30.58 1wha h HIS 76 CO 0.63 -0.49 0.27 -0.44 -1.30 0.00 0.00 177.93 176.60 1wha h ASP 77 N -0.63 1.04 0.25 3.26 3.32 -1.96 -2.57 116.42 119.12 1wha h ASP 77 Ca 0.02 -0.17 0.01 0.00 0.02 0.00 0.00 57.03 56.91 1wha h ASP 77 Cb 0.65 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 1wha h ASP 77 CO -0.22 0.93 -0.45 -0.74 -1.72 0.00 0.00 179.24 177.05 1wha h HIS 78 N 1.09 -1.26 -0.27 4.55 2.76 -1.80 -0.70 115.15 119.52 1wha h HIS 78 Ca 0.25 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.49 1wha h HIS 78 Cb 0.24 0.52 -0.05 0.00 1.55 0.00 0.00 27.41 29.67 1wha h HIS 78 CO 0.02 -0.57 -0.06 0.00 -1.30 0.00 0.00 177.93 176.02 1wha h ALA 79 N -0.41 0.18 -0.86 5.26 0.00 -1.07 -1.11 119.26 121.25 1wha h ALA 79 Ca -0.01 0.11 0.18 0.00 0.00 0.00 0.00 54.91 55.18 1wha h ALA 79 Cb 0.74 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 1wha h ALA 79 CO -0.18 -0.46 0.57 0.28 0.00 0.00 0.00 179.25 179.45 1wha h VAL 80 N 0.00 0.74 -1.13 0.00 2.07 -1.13 -0.35 116.25 116.45 1wha h VAL 80 Ca 0.13 -0.16 0.33 0.00 0.82 0.00 0.00 66.70 67.82 1wha h VAL 80 Cb 0.20 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.16 1wha h VAL 80 CO -0.28 0.08 1.01 -1.28 0.02 0.00 0.00 177.57 177.12 1wha h SER 81 N 0.46 0.00 0.28 0.57 0.87 0.22 1.08 113.55 117.02 1wha h SER 81 Ca 0.44 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.67 1wha h SER 81 Cb 1.00 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.90 1wha h SER 81 CO -0.17 0.00 -1.99 0.18 -0.53 0.00 0.00 176.83 174.32 1wha n LEU 82 N -3.71 0.78 -0.01 2.23 4.77 -0.15 -3.05 117.00 117.86 1wha n LEU 82 Ca 0.25 0.24 -0.13 0.00 -0.03 0.00 0.00 56.01 56.34 1wha n LEU 82 Cb 1.37 0.15 -0.10 0.00 -2.33 0.00 0.00 43.42 42.51 1wha n LEU 82 CO 0.33 0.48 0.58 -0.07 -1.33 0.00 0.00 177.39 177.38 1wha h LEU 83 N 0.00 -0.03 -0.05 2.23 3.38 0.10 -3.16 115.31 117.79 1wha h LEU 83 Ca -0.40 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.05 1wha h LEU 83 Cb 2.09 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.85 1wha h LEU 83 CO 0.06 0.52 0.00 0.35 0.09 0.00 0.00 178.44 179.46 1wha n THR 84 N -4.84 0.35 -0.78 0.22 -2.24 0.89 -4.85 114.28 103.03 1wha n THR 84 Ca -0.09 -0.06 -0.29 0.00 -2.27 0.00 0.00 64.05 61.34 1wha n THR 84 Cb 0.28 -0.62 0.10 0.00 -2.10 0.00 0.00 70.33 67.99 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 -1.62 -3.19 -2.59 6.98 0.00 -1.17 -4.81 120.51 114.11 1wha n ALA 85 Ca 0.06 -1.15 -0.43 0.00 0.00 0.00 0.00 53.44 51.92 1wha n ALA 85 Cb 0.35 -0.95 0.01 0.00 0.00 0.00 0.00 19.45 18.85 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 -3.92 5.20 -3.74 0.00 0.00 -1.26 -4.92 120.51 111.86 1wha n ALA 86 Ca 0.00 -4.47 -0.14 0.00 0.00 0.00 0.00 53.44 48.84 1wha n ALA 86 Cb 0.56 -2.79 -0.15 0.00 0.00 0.00 0.00 19.45 17.08 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 0.22 -0.06 0.47 0.00 1.04 -1.26 -5.03 113.70 109.08 1wha s SER 87 Ca 0.37 0.30 0.26 0.00 0.48 0.00 0.00 55.95 57.36 1wha s SER 87 Cb 0.07 0.19 1.10 0.00 0.10 0.00 0.00 66.02 67.48 1wha s SER 87 CO 0.03 -0.15 1.90 1.55 0.98 0.00 0.00 173.24 177.55 1wha h PRO 88 N 7.31 0.00 -5.50 4.02 0.13 -1.93 -3.39 132.00 132.64 1wha h PRO 88 Ca -0.42 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.21 1wha h PRO 88 Cb 1.14 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.99 1wha h PRO 88 CO 0.41 0.18 -0.82 0.95 -0.23 0.00 0.00 178.00 178.49 1wha s THR 89 N -3.77 1.25 -0.09 1.56 -4.23 -1.26 -2.87 115.64 106.23 1wha s THR 89 Ca -0.00 -0.76 -0.04 0.00 -1.18 0.00 0.00 61.69 59.71 1wha s THR 89 Cb 0.11 -1.06 0.05 0.00 1.34 0.00 0.00 72.50 72.94 1wha s THR 89 CO 0.61 0.28 0.19 -0.63 -0.54 0.00 0.00 174.62 174.53 1wha s ILE 90 N -0.48 -0.23 -0.14 2.99 1.01 -1.24 -4.99 121.20 118.11 1wha s ILE 90 Ca 0.05 0.29 -0.25 0.00 0.00 0.00 0.00 60.65 60.74 1wha s ILE 90 Cb -0.07 -0.32 -0.02 0.00 0.01 0.00 0.00 42.46 42.06 1wha s ILE 90 CO -0.00 0.12 0.81 0.00 0.00 0.00 0.00 174.94 175.87 1wha s ALA 91 N 2.01 3.46 -0.09 9.38 0.00 -1.26 -3.85 121.76 131.41 1wha s ALA 91 Ca -0.01 0.08 0.02 0.00 0.00 0.00 0.00 51.96 52.04 1wha s ALA 91 Cb -0.12 -3.18 -0.02 0.00 0.00 0.00 0.00 23.12 19.80 1wha s ALA 91 CO -0.07 -0.53 -0.14 -0.51 0.00 0.00 0.00 175.76 174.52 1wha s LEU 92 N 1.84 2.71 -0.43 0.00 1.43 -0.90 0.10 118.68 123.43 1wha s LEU 92 Ca 0.39 -0.27 -0.09 0.00 -1.03 0.00 0.00 54.13 53.12 1wha s LEU 92 Cb -0.17 -1.58 0.09 0.00 0.03 0.00 0.00 46.19 44.56 1wha s LEU 92 CO 0.14 0.25 0.29 -0.22 0.23 0.00 0.00 176.35 177.04 1wha s LEU 93 N -0.16 5.31 0.07 1.79 2.96 -0.37 -1.28 118.68 127.00 1wha s LEU 93 Ca -0.01 -1.60 0.01 0.00 -0.22 0.00 0.00 54.13 52.31 1wha s LEU 93 Cb -0.13 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 1wha s LEU 93 CO 0.03 -0.58 0.17 -0.76 -1.32 0.00 0.00 176.35 173.89 1wha s LEU 94 N 1.42 4.17 -0.34 -0.68 1.43 -1.15 -0.61 118.68 122.91 1wha s LEU 94 Ca 0.04 0.17 -0.04 0.00 -1.03 0.00 0.00 54.13 53.26 1wha s LEU 94 Cb -0.24 -2.79 0.06 0.00 0.03 0.00 0.00 46.19 43.25 1wha s LEU 94 CO 0.02 0.17 0.09 -0.70 0.23 0.00 0.00 176.35 176.16 1wha s GLU 95 N -2.50 2.43 -0.13 1.70 2.12 -1.13 -2.76 118.70 118.43 1wha s GLU 95 Ca 0.33 -1.35 -0.24 0.00 0.36 0.00 0.00 54.97 54.06 1wha s GLU 95 Cb -0.13 -3.40 -0.03 0.00 0.26 0.00 0.00 34.13 30.84 1wha s GLU 95 CO 0.26 -0.75 0.76 0.50 -0.54 0.00 0.00 175.26 175.49 1wha s ARG 96 N 1.30 4.35 -0.29 4.30 6.06 -0.35 -4.46 118.95 129.86 1wha s ARG 96 Ca -0.01 0.92 -0.19 0.00 -2.50 0.00 0.00 55.73 53.96 1wha s ARG 96 Cb -0.20 -3.52 -0.02 0.00 0.06 0.00 0.00 34.95 31.27 1wha s ARG 96 CO -0.00 -0.15 0.56 -1.21 -2.50 0.00 0.00 175.30 172.00 1wha s GLU 97 N 1.55 3.94 0.39 5.12 0.41 -1.26 -0.30 118.70 128.54 1wha s GLU 97 Ca 0.37 0.25 0.14 0.00 -0.41 0.00 0.00 54.97 55.32 1wha s GLU 97 Cb -0.17 -3.70 0.97 0.00 -1.78 0.00 0.00 34.13 29.45 1wha s GLU 97 CO 0.15 -0.48 1.86 0.00 -0.49 0.00 0.00 175.26 176.30 1wha h ALA 98 N 8.15 2.04 -2.73 5.21 0.00 -1.92 -3.40 119.26 126.60 1wha h ALA 98 Ca -0.28 0.02 -0.57 0.00 0.00 0.00 0.00 54.91 54.08 1wha h ALA 98 Cb 1.13 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 1wha h ALA 98 CO 0.76 -0.32 -0.04 0.20 0.00 0.00 0.00 179.25 179.85 1wha s GLY 99 N -3.78 2.62 -0.09 0.00 0.00 -1.26 -5.05 107.32 99.76 1wha s GLY 99 Ca -0.09 0.01 -0.31 0.00 0.00 0.00 0.00 44.72 44.33 1wha s GLY 99 CO 0.78 0.59 1.02 -0.45 0.00 0.00 0.00 173.10 175.05 1wha s SER 100 N -0.60 -0.28 0.00 1.64 0.15 -1.26 -5.19 113.70 108.17 1wha s SER 100 Ca 0.29 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.97 1wha s SER 100 Cb -0.19 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 1wha s SER 100 CO 0.17 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1wha n GLY 101 N -0.12 1.16 3.56 9.45 0.00 -1.26 -5.08 105.19 112.90 1wha n GLY 101 Ca -0.05 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 45.11 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 1.10 2.56 0.28 1.61 0.04 -1.26 -4.83 135.00 134.49 1wha s PRO 102 Ca 0.00 -0.26 -0.02 0.00 0.04 0.00 0.00 61.00 60.76 1wha s PRO 102 Cb 0.00 -5.04 0.59 0.00 0.04 0.00 0.00 34.50 30.09 1wha s PRO 102 CO 0.00 -3.36 1.46 0.45 0.04 0.00 0.00 177.00 175.60 1wha n SER 103 N 13.94 -0.21 -4.93 6.66 2.88 -1.26 -4.38 113.62 126.33 1wha n SER 103 Ca 0.39 1.60 -0.25 0.00 -1.33 0.00 0.00 58.87 59.29 1wha n SER 103 Cb 0.47 -0.54 -0.01 0.00 -0.75 0.00 0.00 64.21 63.39 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 -5.11 6.23 0.00 -3.46 0.15 -1.26 -5.30 113.70 104.95 1wha s SER 104 Ca -0.13 0.60 0.00 0.00 0.70 0.00 0.00 55.95 57.12 1wha s SER 104 Cb 0.27 -2.06 0.00 0.00 -1.71 0.00 0.00 66.02 62.52 1wha s SER 104 CO 0.73 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 175.35