#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cum n SER 2 N 0.00 0.97 -4.26 1.61 3.41 -1.26 -5.00 113.62 109.09 2cum n SER 2 Ca 0.00 -0.98 -0.31 0.00 -0.26 0.00 0.00 58.87 57.32 2cum n SER 2 Cb 0.00 0.34 -0.16 0.00 -0.26 0.00 0.00 64.21 64.13 2cum n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2cum s SER 3 N -0.71 2.96 0.00 4.04 1.04 -1.26 -4.91 113.70 114.85 2cum s SER 3 Ca 0.04 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 55.99 2cum s SER 3 Cb 0.03 -0.69 0.00 0.00 0.10 0.00 0.00 66.02 65.47 2cum s SER 3 CO 0.09 0.25 0.00 0.61 0.98 0.00 0.00 173.24 175.18 2cum n GLY 4 N 2.84 0.59 3.07 7.32 0.00 -1.26 -4.97 105.19 112.78 2cum n GLY 4 Ca -0.17 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 2cum n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cum s SER 5 N -4.00 5.25 -0.22 1.61 0.15 -1.26 -4.87 113.70 110.35 2cum s SER 5 Ca 0.00 -3.06 0.11 0.00 0.70 0.00 0.00 55.95 53.70 2cum s SER 5 Cb 0.00 -1.83 0.44 0.00 -1.71 0.00 0.00 66.02 62.91 2cum s SER 5 CO 0.00 -0.31 1.20 -1.20 1.20 0.00 0.00 173.24 174.13 2cum n SER 6 N 3.18 2.67 0.00 5.45 7.64 -1.26 -4.96 113.62 126.34 2cum n SER 6 Ca 0.10 -3.65 0.00 0.00 1.01 0.00 0.00 58.87 56.34 2cum n SER 6 Cb 0.37 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 2cum n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cum n GLY 7 N -0.85 1.65 3.62 0.23 0.00 -1.26 -4.99 105.19 103.58 2cum n GLY 7 Ca 0.25 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 2cum n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cum n LEU 8 N 0.00 3.80 -3.78 0.99 7.99 -1.26 -4.94 117.00 119.80 2cum n LEU 8 Ca 0.00 0.77 -0.13 0.00 -0.01 0.00 0.00 56.01 56.64 2cum n LEU 8 Cb 0.00 -1.40 -0.10 0.00 -0.11 0.00 0.00 43.42 41.81 2cum n LEU 8 CO 0.00 -1.89 -0.03 -1.61 -1.51 0.00 0.00 177.39 172.36 2cum s GLU 9 N -2.91 0.46 0.63 3.23 2.02 -1.26 -4.99 118.70 115.87 2cum s GLU 9 Ca 0.76 0.17 -0.07 0.00 0.02 0.00 0.00 54.97 55.85 2cum s GLU 9 Cb -0.40 0.21 0.01 0.00 0.10 0.00 0.00 34.13 34.06 2cum s GLU 9 CO 0.47 -0.09 0.96 0.00 0.02 0.00 0.00 175.26 176.62 2cum s ALA 10 N -0.40 3.19 0.56 5.21 0.00 -1.26 -4.78 121.76 124.27 2cum s ALA 10 Ca -0.05 -0.61 -0.19 0.00 0.00 0.00 0.00 51.96 51.10 2cum s ALA 10 Cb -0.03 -2.71 -0.05 0.00 0.00 0.00 0.00 23.12 20.32 2cum s ALA 10 CO 0.02 -0.91 1.13 -1.25 0.00 0.00 0.00 175.76 174.74 2cum s PRO 11 N -5.10 3.30 0.29 0.00 0.04 -1.26 -4.79 135.00 127.48 2cum s PRO 11 Ca 0.55 1.59 0.03 0.00 0.04 0.00 0.00 61.00 63.21 2cum s PRO 11 Cb -0.11 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 2cum s PRO 11 CO 0.47 -0.89 0.18 -0.98 0.04 0.00 0.00 177.00 175.82 2cum s ARG 12 N -3.38 1.56 -1.31 4.56 1.70 -1.24 -4.83 118.95 116.00 2cum s ARG 12 Ca 0.72 -1.88 0.00 0.00 -0.47 0.00 0.00 55.73 54.10 2cum s ARG 12 Cb -0.23 0.06 0.00 0.00 -0.57 0.00 0.00 34.95 34.21 2cum s ARG 12 CO 0.28 -0.48 0.00 -3.47 -1.08 0.00 0.00 175.30 170.55 2cum n ASP 13 N -0.94 -4.48 -4.64 -2.89 -0.08 -1.26 -0.15 116.55 102.11 2cum n ASP 13 Ca 0.03 0.10 -0.43 0.00 -1.51 0.00 0.00 54.79 52.98 2cum n ASP 13 Cb 0.64 -3.51 -0.02 0.00 2.34 0.00 0.00 41.12 40.57 2cum n ASP 13 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2cum s LEU 14 N -3.84 4.01 -0.06 -2.67 2.96 -1.26 -4.47 118.68 113.35 2cum s LEU 14 Ca 0.00 1.46 -0.11 0.00 -0.22 0.00 0.00 54.13 55.25 2cum s LEU 14 Cb 0.00 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.17 2cum s LEU 14 CO 0.00 -0.97 0.28 -0.70 -1.32 0.00 0.00 176.35 173.64 2cum s GLU 15 N 3.94 0.48 -0.17 1.98 2.56 -1.11 -5.01 118.70 121.37 2cum s GLU 15 Ca 0.57 0.09 -0.29 0.00 0.00 0.00 0.00 54.97 55.34 2cum s GLU 15 Cb -0.20 0.22 -0.01 0.00 2.00 0.00 0.00 34.13 36.14 2cum s GLU 15 CO 0.20 -0.10 1.18 0.00 -0.56 0.00 0.00 175.26 175.99 2cum s ALA 16 N -0.57 3.64 0.22 6.30 0.00 -1.26 -3.06 121.76 127.03 2cum s ALA 16 Ca -0.07 0.39 0.11 0.00 0.00 0.00 0.00 51.96 52.40 2cum s ALA 16 Cb -0.04 -3.58 -0.05 0.00 0.00 0.00 0.00 23.12 19.45 2cum s ALA 16 CO 0.02 -1.08 -0.19 0.15 0.00 0.00 0.00 175.76 174.66 2cum s LYS 17 N 3.23 1.69 -1.39 0.00 1.02 0.17 -4.74 119.74 119.72 2cum s LYS 17 Ca 0.52 -1.54 -0.01 0.00 0.02 0.00 0.00 55.97 54.96 2cum s LYS 17 Cb -0.20 -1.89 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 2cum s LYS 17 CO 0.13 0.38 0.50 0.39 -0.92 0.00 0.00 175.35 175.83 2cum n GLU 18 N -0.07 -3.70 -2.64 1.68 -0.58 -1.26 -2.54 120.64 111.53 2cum n GLU 18 Ca -0.10 0.46 -0.41 0.00 -0.42 0.00 0.00 57.16 56.68 2cum n GLU 18 Cb 0.57 -4.70 -0.04 0.00 -0.57 0.00 0.00 31.44 26.70 2cum n GLU 18 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2cum s VAL 19 N -3.87 4.34 0.10 2.62 1.01 -1.26 -4.00 120.40 119.33 2cum s VAL 19 Ca 0.03 1.89 -0.13 0.00 0.00 0.00 0.00 61.98 63.77 2cum s VAL 19 Cb -0.01 -4.21 0.02 0.00 0.00 0.00 0.00 36.38 32.17 2cum s VAL 19 CO 0.87 0.27 0.30 0.42 0.00 0.00 0.00 175.10 176.96 2cum s THR 20 N 0.16 0.10 -2.00 3.92 -4.23 -0.34 -4.60 115.64 108.65 2cum s THR 20 Ca 0.49 -0.84 0.13 0.00 -1.18 0.00 0.00 61.69 60.29 2cum s THR 20 Cb -0.25 -1.21 0.36 0.00 1.34 0.00 0.00 72.50 72.74 2cum s THR 20 CO 0.31 -0.46 1.18 -0.81 -0.54 0.00 0.00 174.62 174.29 2cum n PRO 21 N -0.05 0.49 -0.04 3.99 -0.04 -1.26 -2.57 135.00 135.52 2cum n PRO 21 Ca -0.16 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.26 2cum n PRO 21 Cb 0.63 -1.40 -0.05 0.00 -0.04 0.00 0.00 33.50 32.63 2cum n PRO 21 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2cum n ARG 22 N -0.90 2.09 -3.85 0.54 1.74 -1.26 -3.73 116.66 111.29 2cum n ARG 22 Ca 0.09 0.01 -0.10 0.00 -0.77 0.00 0.00 57.85 57.09 2cum n ARG 22 Cb 0.04 -1.17 0.02 0.00 -1.02 0.00 0.00 32.46 30.33 2cum n ARG 22 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2cum s THR 23 N -2.16 0.00 -0.18 0.55 -4.23 -1.06 -3.87 115.64 104.69 2cum s THR 23 Ca -0.06 -1.09 -0.21 0.00 -1.18 0.00 0.00 61.69 59.15 2cum s THR 23 Cb 0.02 -2.89 0.06 0.00 1.34 0.00 0.00 72.50 71.02 2cum s THR 23 CO 0.25 0.00 0.57 0.00 -0.54 0.00 0.00 174.62 174.90 2cum s ALA 24 N -2.32 -1.43 -0.03 3.99 0.00 -1.21 -1.20 121.76 119.56 2cum s ALA 24 Ca 0.18 1.48 0.07 0.00 0.00 0.00 0.00 51.96 53.69 2cum s ALA 24 Cb -0.04 -0.72 -0.02 0.00 0.00 0.00 0.00 23.12 22.34 2cum s ALA 24 CO 0.13 -0.29 -0.24 -1.17 0.00 0.00 0.00 175.76 174.19 2cum s LEU 25 N -0.06 2.04 -0.10 0.00 2.96 -1.05 -1.24 118.68 121.24 2cum s LEU 25 Ca -0.03 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.46 2cum s LEU 25 Cb -0.04 -1.27 0.01 0.00 0.50 0.00 0.00 46.19 45.40 2cum s LEU 25 CO 0.02 0.28 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.37 2cum s LEU 26 N -0.46 1.97 -0.05 -0.68 1.43 -1.17 -0.66 118.68 119.05 2cum s LEU 26 Ca 0.06 -0.50 0.06 0.00 -1.03 0.00 0.00 54.13 52.72 2cum s LEU 26 Cb -0.10 -1.27 -0.02 0.00 0.03 0.00 0.00 46.19 44.83 2cum s LEU 26 CO 0.00 0.11 -0.22 0.42 0.23 0.00 0.00 176.35 176.89 2cum s THR 27 N 0.55 2.37 0.07 5.49 -4.23 -1.17 -2.38 115.64 116.34 2cum s THR 27 Ca -0.15 -0.97 0.03 0.00 -1.18 0.00 0.00 61.69 59.43 2cum s THR 27 Cb -0.17 -1.88 -0.03 0.00 1.34 0.00 0.00 72.50 71.76 2cum s THR 27 CO 0.05 0.57 -0.09 -1.66 -0.54 0.00 0.00 174.62 172.95 2cum s TRP 28 N -0.37 0.92 -0.02 3.99 -2.14 0.02 -2.74 118.94 118.59 2cum s TRP 28 Ca 0.03 -0.61 -0.29 0.00 2.66 0.00 0.00 56.10 57.89 2cum s TRP 28 Cb -0.12 -0.52 -0.03 0.00 -3.10 0.00 0.00 33.47 29.70 2cum s TRP 28 CO 0.02 -0.04 0.95 0.99 -2.66 0.00 0.00 176.95 176.21 2cum s THR 29 N -2.06 4.88 0.06 0.66 2.01 0.79 -4.70 115.64 117.28 2cum s THR 29 Ca -0.00 1.99 -0.31 0.00 0.31 0.00 0.00 61.69 63.68 2cum s THR 29 Cb -0.05 -4.29 -0.08 0.00 0.01 0.00 0.00 72.50 68.09 2cum s THR 29 CO -0.00 0.15 1.56 -0.70 -0.69 0.00 0.00 174.62 174.94 2cum s GLU 30 N 1.11 4.23 1.00 4.92 2.12 -1.26 -3.67 118.70 127.15 2cum s GLU 30 Ca 0.50 2.22 -0.12 0.00 0.36 0.00 0.00 54.97 57.92 2cum s GLU 30 Cb -0.20 -3.54 0.19 0.00 0.26 0.00 0.00 34.13 30.84 2cum s GLU 30 CO 0.26 -0.66 1.09 -1.25 -0.54 0.00 0.00 175.26 174.15 2cum s PRO 31 N 2.38 0.43 0.00 4.30 0.04 -1.26 -4.90 135.00 135.99 2cum s PRO 31 Ca 0.70 0.53 0.12 0.00 0.04 0.00 0.00 61.00 62.40 2cum s PRO 31 Cb -0.38 -1.74 0.74 0.00 0.04 0.00 0.00 34.50 33.16 2cum s PRO 31 CO 0.30 -2.73 1.16 -0.35 0.04 0.00 0.00 177.00 175.42 2cum n PRO 32 N -4.18 0.49 -4.34 0.56 -0.04 -1.26 -4.67 135.00 121.56 2cum n PRO 32 Ca 0.05 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.32 2cum n PRO 32 Cb 0.57 -1.39 -0.13 0.00 -0.04 0.00 0.00 33.50 32.50 2cum n PRO 32 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2cum s VAL 33 N -2.00 1.08 -0.50 0.52 1.01 -1.26 -5.06 120.40 114.19 2cum s VAL 33 Ca 0.18 -1.00 -0.18 0.00 0.00 0.00 0.00 61.98 60.99 2cum s VAL 33 Cb 0.08 -0.99 0.07 0.00 0.00 0.00 0.00 36.38 35.55 2cum s VAL 33 CO 0.14 -0.01 0.54 -0.60 0.00 0.00 0.00 175.10 175.17 2cum s ARG 34 N -1.15 3.06 0.85 2.72 6.06 -1.26 -5.02 118.95 124.21 2cum s ARG 34 Ca 0.01 -1.14 -0.11 0.00 -2.50 0.00 0.00 55.73 51.99 2cum s ARG 34 Cb -0.08 -4.13 0.10 0.00 0.06 0.00 0.00 34.95 30.90 2cum s ARG 34 CO 0.01 -1.18 1.09 -1.25 -2.50 0.00 0.00 175.30 171.48 2cum s PRO 35 N 2.21 1.59 0.10 5.12 0.04 -1.26 -4.98 135.00 137.82 2cum s PRO 35 Ca 0.10 0.94 -0.02 0.00 0.04 0.00 0.00 61.00 62.06 2cum s PRO 35 Cb -0.22 -1.84 -0.23 0.00 0.04 0.00 0.00 34.50 32.26 2cum s PRO 35 CO 0.09 -2.04 1.20 0.00 0.04 0.00 0.00 177.00 176.29 2cum h ALA 36 N -1.41 0.20 -2.90 8.56 0.00 -1.68 -3.45 119.26 118.58 2cum h ALA 36 Ca -0.47 -0.86 0.02 0.00 0.00 0.00 0.00 54.91 53.60 2cum h ALA 36 Cb 1.27 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2cum h ALA 36 CO 0.53 1.00 0.34 0.20 0.00 0.00 0.00 179.25 181.32 2cum s GLY 37 N -4.63 0.31 -0.04 0.00 0.00 -1.25 -4.69 107.32 97.02 2cum s GLY 37 Ca -0.03 -0.66 0.01 0.00 0.00 0.00 0.00 44.72 44.04 2cum s GLY 37 CO 0.87 0.26 -0.05 -0.19 0.00 0.00 0.00 173.10 173.98 2cum s TYR 38 N -2.29 0.72 -0.61 1.90 2.02 -1.26 -1.66 117.35 116.17 2cum s TYR 38 Ca 0.17 -0.19 -0.02 0.00 -0.37 0.00 0.00 57.07 56.66 2cum s TYR 38 Cb -0.05 -0.61 0.16 0.00 -0.40 0.00 0.00 41.96 41.06 2cum s TYR 38 CO 0.10 -0.15 0.41 -1.17 -1.57 0.00 0.00 175.55 173.18 2cum s LEU 39 N 0.66 5.11 -0.52 -1.29 2.96 0.24 -2.50 118.68 123.33 2cum s LEU 39 Ca -0.09 -2.87 -0.26 0.00 -0.22 0.00 0.00 54.13 50.69 2cum s LEU 39 Cb -0.12 -1.82 0.03 0.00 0.50 0.00 0.00 46.19 44.78 2cum s LEU 39 CO 0.00 -0.35 1.01 -0.22 -1.32 0.00 0.00 176.35 175.47 2cum s LEU 40 N -0.09 3.88 -0.33 -0.68 2.96 -1.22 -3.13 118.68 120.06 2cum s LEU 40 Ca 0.17 -0.03 -0.08 0.00 -0.22 0.00 0.00 54.13 53.97 2cum s LEU 40 Cb -0.21 -3.09 0.02 0.00 0.50 0.00 0.00 46.19 43.42 2cum s LEU 40 CO -0.03 -1.23 0.13 -0.44 -1.32 0.00 0.00 176.35 173.46 2cum s SER 41 N 2.65 5.40 -0.12 3.68 0.01 -0.98 -2.85 113.70 121.49 2cum s SER 41 Ca 0.37 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 56.71 2cum s SER 41 Cb -0.10 -1.93 0.02 0.00 0.21 0.00 0.00 66.02 64.22 2cum s SER 41 CO 0.24 -0.29 -0.11 0.72 0.41 0.00 0.00 173.24 174.21 2cum s PHE 42 N 1.49 1.79 0.18 2.43 -0.71 -1.10 -1.80 117.98 120.26 2cum s PHE 42 Ca 0.01 -0.92 0.11 0.00 -1.04 0.00 0.00 56.93 55.09 2cum s PHE 42 Cb -0.19 -1.37 -0.04 0.00 -1.21 0.00 0.00 43.02 40.21 2cum s PHE 42 CO 0.04 -0.55 -0.24 -3.38 -1.34 0.00 0.00 175.22 169.76 2cum s HIS 43 N 1.47 2.33 -0.09 3.49 -3.43 -1.14 -2.36 115.29 115.55 2cum s HIS 43 Ca 0.02 -0.35 -0.08 0.00 -0.80 0.00 0.00 55.06 53.85 2cum s HIS 43 Cb -0.13 -1.18 -0.04 0.00 -1.43 0.00 0.00 32.58 29.80 2cum s HIS 43 CO -0.08 0.47 0.19 -0.08 -2.00 0.00 0.00 174.74 173.25 2cum s THR 44 N -1.54 5.41 -2.00 -5.38 -1.32 -1.26 -2.94 115.64 106.62 2cum s THR 44 Ca 0.20 0.32 0.14 0.00 -1.21 0.00 0.00 61.69 61.14 2cum s THR 44 Cb -0.08 -3.46 0.40 0.00 -1.51 0.00 0.00 72.50 67.84 2cum s THR 44 CO 0.09 0.60 1.26 -0.81 -2.21 0.00 0.00 174.62 173.56 2cum n PRO 45 N 1.92 0.49 -1.04 7.08 -0.04 -1.26 -2.58 135.00 139.57 2cum n PRO 45 Ca -0.19 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.30 2cum n PRO 45 Cb 0.54 -1.45 0.01 0.00 -0.04 0.00 0.00 33.50 32.56 2cum n PRO 45 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2cum n GLY 46 N -0.02 0.77 0.00 0.55 0.00 -1.26 -5.10 105.19 100.12 2cum n GLY 46 Ca 0.11 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2cum n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cum n GLY 47 N 0.27 3.70 3.81 -0.02 0.00 -1.07 -5.17 105.19 106.71 2cum n GLY 47 Ca 0.03 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 2cum n GLY 47 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2cum s GLN 48 N 2.19 2.94 0.45 1.61 0.74 -1.26 -4.72 119.66 121.60 2cum s GLN 48 Ca 0.00 -0.88 -0.23 0.00 0.05 0.00 0.00 55.36 54.29 2cum s GLN 48 Cb 0.00 -2.65 -0.08 0.00 1.10 0.00 0.00 33.01 31.38 2cum s GLN 48 CO 0.00 0.47 1.18 0.99 -0.55 0.00 0.00 175.29 177.39 2cum s THR 49 N -1.82 3.03 -0.08 -0.34 2.01 -1.26 -4.08 115.64 113.10 2cum s THR 49 Ca 0.31 0.80 0.00 0.00 0.31 0.00 0.00 61.69 63.12 2cum s THR 49 Cb -0.10 -3.42 0.02 0.00 0.01 0.00 0.00 72.50 69.02 2cum s THR 49 CO 0.24 0.02 -0.07 -1.58 -0.69 0.00 0.00 174.62 172.54 2cum s GLN 50 N -2.60 1.28 0.14 4.92 2.00 -1.00 -5.00 119.66 119.41 2cum s GLN 50 Ca 0.62 -0.19 0.03 0.00 -2.00 0.00 0.00 55.36 53.82 2cum s GLN 50 Cb -0.30 -1.32 -0.04 0.00 0.80 0.00 0.00 33.01 32.15 2cum s GLN 50 CO 0.37 -0.19 0.20 -1.21 -0.50 0.00 0.00 175.29 173.96 2cum s GLU 51 N 1.42 3.16 -0.05 1.67 2.02 -1.26 -2.69 118.70 122.97 2cum s GLU 51 Ca -0.01 -0.70 -0.02 0.00 0.02 0.00 0.00 54.97 54.26 2cum s GLU 51 Cb -0.13 -2.82 0.04 0.00 0.10 0.00 0.00 34.13 31.31 2cum s GLU 51 CO -0.04 0.52 0.11 0.42 0.02 0.00 0.00 175.26 176.29 2cum s ILE 52 N -1.68 -0.05 -0.32 -1.63 1.01 -1.13 -5.03 121.20 112.36 2cum s ILE 52 Ca 0.33 0.19 -0.23 0.00 0.00 0.00 0.00 60.65 60.94 2cum s ILE 52 Cb -0.11 -0.19 0.00 0.00 0.01 0.00 0.00 42.46 42.17 2cum s ILE 52 CO 0.26 0.08 0.75 -0.22 0.00 0.00 0.00 174.94 175.81 2cum s LEU 53 N 1.13 4.11 0.43 2.97 2.96 -1.26 -3.45 118.68 125.57 2cum s LEU 53 Ca -0.09 0.55 -0.11 0.00 -0.22 0.00 0.00 54.13 54.26 2cum s LEU 53 Cb -0.12 -3.01 -0.06 0.00 0.50 0.00 0.00 46.19 43.50 2cum s LEU 53 CO -0.05 -0.61 0.80 -0.76 -1.32 0.00 0.00 176.35 174.42 2cum s LEU 54 N 2.90 3.78 0.41 -0.68 2.01 -1.04 -4.98 118.68 121.07 2cum s LEU 54 Ca 0.31 1.18 0.20 0.00 0.01 0.00 0.00 54.13 55.82 2cum s LEU 54 Cb -0.14 -4.07 0.85 0.00 0.01 0.00 0.00 46.19 42.84 2cum s LEU 54 CO 0.13 -0.44 1.82 1.55 1.01 0.00 0.00 176.35 180.42 2cum h PRO 55 N 1.11 0.00 -2.76 1.29 0.13 -1.97 -3.39 132.00 126.41 2cum h PRO 55 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2cum h PRO 55 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2cum h PRO 55 CO 0.63 0.32 0.00 0.41 -0.23 0.00 0.00 178.00 179.13 2cum n GLY 56 N -0.08 -2.45 0.00 1.56 0.00 -1.26 -4.90 105.19 98.06 2cum n GLY 56 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2cum n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cum n GLY 57 N -0.04 0.26 2.58 -0.02 0.00 -1.26 -4.87 105.19 101.84 2cum n GLY 57 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2cum n GLY 57 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2cum n ILE 58 N 0.00 0.00 -0.19 -0.61 -5.35 -1.26 -5.07 119.36 106.88 2cum n ILE 58 Ca 0.00 -1.80 0.00 0.00 -0.27 0.00 0.00 62.75 60.68 2cum n ILE 58 Cb 0.00 0.58 0.00 0.00 -1.74 0.00 0.00 39.64 38.48 2cum n ILE 58 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2cum n THR 59 N -0.76 0.00 -3.64 7.28 -2.24 -1.26 -4.89 114.28 108.77 2cum n THR 59 Ca -0.07 -0.28 -0.08 0.00 -2.27 0.00 0.00 64.05 61.34 2cum n THR 59 Cb 0.47 1.19 -0.07 0.00 -2.10 0.00 0.00 70.33 69.82 2cum n THR 59 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2cum s SER 60 N -0.31 -0.64 -0.05 3.42 0.01 -1.26 -0.80 113.70 114.07 2cum s SER 60 Ca 0.00 1.12 0.04 0.00 1.31 0.00 0.00 55.95 58.42 2cum s SER 60 Cb 0.00 1.19 -0.00 0.00 0.21 0.00 0.00 66.02 67.42 2cum s SER 60 CO 0.00 -0.19 -0.18 -2.28 0.41 0.00 0.00 173.24 171.00 2cum s HIS 61 N 0.82 1.84 0.36 2.43 2.46 -1.00 -5.00 115.29 117.20 2cum s HIS 61 Ca -0.03 -0.57 -0.16 0.00 0.47 0.00 0.00 55.06 54.77 2cum s HIS 61 Cb -0.05 -1.24 -0.09 0.00 -0.13 0.00 0.00 32.58 31.07 2cum s HIS 61 CO -0.10 -0.20 0.79 -1.14 -2.47 0.00 0.00 174.74 171.62 2cum s GLN 62 N 0.10 4.04 -0.11 2.88 2.00 -1.26 -3.06 119.66 124.25 2cum s GLN 62 Ca -0.06 0.76 0.03 0.00 -2.00 0.00 0.00 55.36 54.09 2cum s GLN 62 Cb -0.13 -2.36 -0.00 0.00 0.80 0.00 0.00 33.01 31.31 2cum s GLN 62 CO 0.03 0.09 -0.21 -0.51 -0.50 0.00 0.00 175.29 174.19 2cum s LEU 63 N -3.10 2.26 -0.08 3.68 1.43 -0.37 -5.02 118.68 117.48 2cum s LEU 63 Ca 0.56 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 2cum s LEU 63 Cb -0.10 -1.46 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 2cum s LEU 63 CO 0.17 0.17 -0.12 -0.76 0.23 0.00 0.00 176.35 176.04 2cum s LEU 64 N 0.31 2.81 0.00 1.79 1.43 -1.26 -3.31 118.68 120.45 2cum s LEU 64 Ca -0.16 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 2cum s LEU 64 Cb -0.17 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.45 2cum s LEU 64 CO 0.08 0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.56 2cum n GLY 65 N 2.69 0.11 3.36 -3.19 0.00 -1.26 -5.09 105.19 101.81 2cum n GLY 65 Ca -0.18 -0.42 -0.18 0.00 0.00 0.00 0.00 46.02 45.24 2cum n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cum s LEU 66 N -0.65 2.43 0.03 0.99 1.43 -1.25 -5.07 118.68 116.59 2cum s LEU 66 Ca 0.00 -1.13 -0.00 0.00 -1.03 0.00 0.00 54.13 51.97 2cum s LEU 66 Cb 0.00 -0.51 -0.04 0.00 0.03 0.00 0.00 46.19 45.67 2cum s LEU 66 CO 0.00 -0.34 0.15 -0.36 0.23 0.00 0.00 176.35 176.03 2cum s PHE 67 N -3.15 3.41 -0.08 0.29 0.08 -1.26 -4.72 117.98 112.54 2cum s PHE 67 Ca 0.26 0.24 -0.30 0.00 0.12 0.00 0.00 56.93 57.25 2cum s PHE 67 Cb 0.03 -1.75 -0.04 0.00 -0.57 0.00 0.00 43.02 40.69 2cum s PHE 67 CO 0.08 0.58 1.52 -1.25 -0.10 0.00 0.00 175.22 176.05 2cum s PRO 68 N -2.15 4.20 -1.13 0.24 0.04 -1.24 -2.89 135.00 132.07 2cum s PRO 68 Ca 0.29 2.01 -0.07 0.00 0.04 0.00 0.00 61.00 63.27 2cum s PRO 68 Cb -0.13 -3.89 0.01 0.00 0.04 0.00 0.00 34.50 30.53 2cum s PRO 68 CO 0.21 -0.79 0.92 0.45 0.04 0.00 0.00 177.00 177.83 2cum n SER 69 N 6.85 -5.58 -4.20 6.66 2.88 0.18 -4.94 113.62 115.47 2cum n SER 69 Ca 0.16 -0.42 -0.34 0.00 -1.33 0.00 0.00 58.87 56.94 2cum n SER 69 Cb 0.43 -4.21 -0.15 0.00 -0.75 0.00 0.00 64.21 59.53 2cum n SER 69 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2cum s THR 70 N -3.24 2.55 0.33 2.46 2.01 -1.14 -4.81 115.64 113.80 2cum s THR 70 Ca 0.46 -0.78 -0.29 0.00 0.31 0.00 0.00 61.69 61.39 2cum s THR 70 Cb -0.20 -2.10 -0.10 0.00 0.01 0.00 0.00 72.50 70.10 2cum s THR 70 CO 0.56 0.50 1.28 -0.55 -0.69 0.00 0.00 174.62 175.72 2cum s SER 71 N 1.29 6.80 0.01 3.53 0.15 -1.26 -3.76 113.70 120.46 2cum s SER 71 Ca 0.04 2.63 0.03 0.00 0.70 0.00 0.00 55.95 59.35 2cum s SER 71 Cb -0.14 -2.65 -0.01 0.00 -1.71 0.00 0.00 66.02 61.52 2cum s SER 71 CO -0.08 -0.51 -0.10 -0.31 1.20 0.00 0.00 173.24 173.44 2cum s TYR 72 N -1.16 0.84 -0.41 3.44 2.02 -0.86 -4.15 117.35 117.07 2cum s TYR 72 Ca 0.49 -0.22 -0.05 0.00 -0.37 0.00 0.00 57.07 56.92 2cum s TYR 72 Cb -0.39 -0.53 0.10 0.00 -0.40 0.00 0.00 41.96 40.75 2cum s TYR 72 CO 0.51 -0.01 0.23 1.21 -1.57 0.00 0.00 175.55 175.92 2cum s ASN 73 N -0.49 5.40 0.06 2.29 2.47 -1.15 -2.82 114.94 120.70 2cum s ASN 73 Ca 0.02 -1.84 -0.03 0.00 0.42 0.00 0.00 52.86 51.43 2cum s ASN 73 Cb -0.05 -1.89 -0.05 0.00 -1.45 0.00 0.00 41.25 37.82 2cum s ASN 73 CO -0.00 -0.55 0.26 0.00 -3.72 0.00 0.00 177.10 173.09 2cum s ALA 74 N 1.25 3.92 -0.02 1.71 0.00 -1.21 -2.90 121.76 124.50 2cum s ALA 74 Ca 0.05 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.31 2cum s ALA 74 Cb -0.23 -1.95 0.01 0.00 0.00 0.00 0.00 23.12 20.95 2cum s ALA 74 CO -0.02 0.75 -0.03 0.50 0.00 0.00 0.00 175.76 176.96 2cum s ARG 75 N -2.34 0.46 -0.44 0.00 3.52 -0.74 -2.94 118.95 116.47 2cum s ARG 75 Ca 0.34 -0.06 -0.10 0.00 -0.13 0.00 0.00 55.73 55.79 2cum s ARG 75 Cb -0.13 -0.52 0.09 0.00 -1.56 0.00 0.00 34.95 32.83 2cum s ARG 75 CO 0.24 -0.04 0.31 -1.17 -0.81 0.00 0.00 175.30 173.83 2cum s LEU 76 N 0.58 5.41 -0.28 -0.88 2.96 -1.20 -2.31 118.68 122.96 2cum s LEU 76 Ca -0.06 -1.65 0.03 0.00 -0.22 0.00 0.00 54.13 52.22 2cum s LEU 76 Cb -0.10 -2.01 0.07 0.00 0.50 0.00 0.00 46.19 44.65 2cum s LEU 76 CO -0.01 -0.61 -0.05 -1.58 -1.32 0.00 0.00 176.35 172.78 2cum s GLN 77 N 1.42 1.91 0.32 1.98 0.74 -1.18 -3.29 119.66 121.56 2cum s GLN 77 Ca 0.04 -1.47 -0.12 0.00 0.05 0.00 0.00 55.36 53.86 2cum s GLN 77 Cb -0.24 -2.94 -0.08 0.00 1.10 0.00 0.00 33.01 30.85 2cum s GLN 77 CO 0.01 -0.70 0.69 0.00 -0.55 0.00 0.00 175.29 174.75 2cum s ALA 78 N 1.08 3.40 -0.27 1.58 0.00 -1.26 -0.60 121.76 125.70 2cum s ALA 78 Ca -0.02 -0.13 -0.13 0.00 0.00 0.00 0.00 51.96 51.67 2cum s ALA 78 Cb -0.20 -2.65 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 2cum s ALA 78 CO -0.07 0.27 0.30 -1.64 0.00 0.00 0.00 175.76 174.63 2cum s MET 79 N -3.21 4.00 0.24 0.00 1.00 -0.67 -4.29 119.30 116.37 2cum s MET 79 Ca 0.51 -0.09 0.11 0.00 0.00 0.00 0.00 55.69 56.23 2cum s MET 79 Cb -0.10 -3.65 -0.05 0.00 0.00 0.00 0.00 34.83 31.03 2cum s MET 79 CO 0.23 -0.22 -0.20 -1.58 0.00 0.00 0.00 175.02 173.25 2cum s TRP 80 N 1.88 2.34 -0.48 -0.03 0.51 -0.72 -1.57 118.94 120.87 2cum s TRP 80 Ca 0.12 -0.33 -0.44 0.00 -2.12 0.00 0.00 56.10 53.33 2cum s TRP 80 Cb -0.16 -1.09 -0.19 0.00 -0.81 0.00 0.00 33.47 31.23 2cum s TRP 80 CO 0.10 0.61 1.85 0.41 -0.51 0.00 0.00 176.95 179.41 2cum n GLY 81 N -0.21 -0.01 3.90 0.98 0.00 -1.26 -0.38 105.19 108.21 2cum n GLY 81 Ca -0.09 1.04 -0.25 0.00 0.00 0.00 0.00 46.02 46.72 2cum n GLY 81 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2cum n GLN 82 N 5.83 -0.90 -3.55 1.61 7.27 -1.26 -4.87 117.38 121.51 2cum n GLN 82 Ca 0.43 0.05 -0.12 0.00 0.07 0.00 0.00 57.00 57.44 2cum n GLN 82 Cb -0.05 -2.63 -0.05 0.00 2.41 0.00 0.00 30.24 29.93 2cum n GLN 82 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 2cum s SER 83 N -4.04 -0.44 -0.47 1.69 0.01 0.48 -4.97 113.70 105.96 2cum s SER 83 Ca 0.04 0.42 0.06 0.00 1.31 0.00 0.00 55.95 57.78 2cum s SER 83 Cb -0.02 0.38 0.22 0.00 0.21 0.00 0.00 66.02 66.81 2cum s SER 83 CO 0.76 -0.46 0.51 0.18 0.41 0.00 0.00 173.24 174.64 2cum n LEU 84 N 0.62 0.89 -3.74 2.44 4.77 -1.26 -1.76 117.00 118.96 2cum n LEU 84 Ca -0.12 -4.79 -0.34 0.00 -0.03 0.00 0.00 56.01 50.73 2cum n LEU 84 Cb 0.58 0.26 0.01 0.00 -2.33 0.00 0.00 43.42 41.94 2cum n LEU 84 CO 0.17 1.98 -0.70 0.18 -1.33 0.00 0.00 177.39 177.69 2cum n LEU 85 N 1.74 -3.71 -4.64 2.23 4.77 -1.26 -4.77 117.00 111.35 2cum n LEU 85 Ca 0.25 0.50 -0.43 0.00 -0.03 0.00 0.00 56.01 56.30 2cum n LEU 85 Cb 0.48 -0.74 -0.03 0.00 -2.33 0.00 0.00 43.42 40.80 2cum n LEU 85 CO 0.20 -4.50 1.32 -2.16 -1.33 0.00 0.00 177.39 170.92 2cum s PRO 86 N -1.08 3.99 1.11 3.23 0.04 -1.26 -4.70 135.00 136.32 2cum s PRO 86 Ca 0.48 1.83 -0.16 0.00 0.04 0.00 0.00 61.00 63.18 2cum s PRO 86 Cb -0.38 -3.97 0.24 0.00 0.04 0.00 0.00 34.50 30.42 2cum s PRO 86 CO 0.62 -1.05 1.10 -1.25 0.04 0.00 0.00 177.00 176.46 2cum s PRO 87 N 4.28 -0.47 -0.19 0.56 0.04 -1.26 -4.76 135.00 133.20 2cum s PRO 87 Ca 0.69 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.94 2cum s PRO 87 Cb -0.27 -1.66 0.02 0.00 0.04 0.00 0.00 34.50 32.63 2cum s PRO 87 CO 0.27 -3.27 -0.18 0.14 0.04 0.00 0.00 177.00 174.00 2cum s VAL 88 N -2.99 2.22 -0.15 -0.36 -7.23 -1.21 -4.91 120.40 105.78 2cum s VAL 88 Ca 0.68 -0.91 -0.10 0.00 -1.81 0.00 0.00 61.98 59.84 2cum s VAL 88 Cb -0.14 -1.95 -0.05 0.00 0.56 0.00 0.00 36.38 34.80 2cum s VAL 88 CO 0.57 0.51 0.20 -0.94 -0.31 0.00 0.00 175.10 175.13 2cum s SER 89 N 1.31 6.38 -0.03 4.85 1.04 -1.26 -3.25 113.70 122.74 2cum s SER 89 Ca 0.05 0.45 -0.03 0.00 0.48 0.00 0.00 55.95 56.90 2cum s SER 89 Cb -0.13 -2.12 0.01 0.00 0.10 0.00 0.00 66.02 63.88 2cum s SER 89 CO -0.12 0.25 0.09 0.28 0.98 0.00 0.00 173.24 174.72 2cum s THR 90 N -0.20 -0.01 -0.20 2.02 -1.32 -1.15 -5.04 115.64 109.74 2cum s THR 90 Ca 0.14 0.03 -0.12 0.00 -1.21 0.00 0.00 61.69 60.53 2cum s THR 90 Cb -0.12 -0.13 -0.05 0.00 -1.51 0.00 0.00 72.50 70.69 2cum s THR 90 CO 0.03 0.01 0.23 -0.94 -2.21 0.00 0.00 174.62 171.74 2cum s SER 91 N 0.22 6.28 -0.02 8.08 1.04 -1.26 -3.36 113.70 124.68 2cum s SER 91 Ca -0.02 0.31 0.02 0.00 0.48 0.00 0.00 55.95 56.75 2cum s SER 91 Cb -0.02 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 63.95 2cum s SER 91 CO -0.01 0.08 -0.08 0.72 0.98 0.00 0.00 173.24 174.93 2cum s PHE 92 N 0.77 0.86 -0.11 5.02 -0.71 -1.13 -5.00 117.98 117.68 2cum s PHE 92 Ca 0.12 -0.20 -0.03 0.00 -1.04 0.00 0.00 56.93 55.78 2cum s PHE 92 Cb -0.13 -0.61 -0.03 0.00 -1.21 0.00 0.00 43.02 41.04 2cum s PHE 92 CO 0.03 -0.07 0.02 0.99 -1.34 0.00 0.00 175.22 174.85 2cum s THR 93 N 0.10 4.43 0.59 -4.49 2.01 -1.26 -2.03 115.64 114.98 2cum s THR 93 Ca -0.01 -0.19 -0.09 0.00 0.31 0.00 0.00 61.69 61.71 2cum s THR 93 Cb -0.07 -2.90 -0.02 0.00 0.01 0.00 0.00 72.50 69.51 2cum s THR 93 CO 0.00 0.57 0.95 0.42 -0.69 0.00 0.00 174.62 175.87 2cum s THR 94 N -0.52 4.45 0.00 -0.82 -4.23 -1.25 -4.87 115.64 108.40 2cum s THR 94 Ca 0.09 0.49 0.00 0.00 -1.18 0.00 0.00 61.69 61.10 2cum s THR 94 Cb -0.12 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 69.97 2cum s THR 94 CO 0.02 -0.89 0.00 0.61 -0.54 0.00 0.00 174.62 173.82 2cum n GLY 95 N -2.62 -0.53 2.86 3.99 0.00 -1.26 -3.15 105.19 104.48 2cum n GLY 95 Ca 0.04 -1.37 -0.17 0.00 0.00 0.00 0.00 46.02 44.52 2cum n GLY 95 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2cum s GLY 96 N -0.18 0.28 0.32 -0.02 0.00 -1.26 0.52 107.32 106.98 2cum s GLY 96 Ca 0.00 0.06 -0.29 0.00 0.00 0.00 0.00 44.72 44.49 2cum s GLY 96 CO 0.00 0.41 1.31 1.04 0.00 0.00 0.00 173.10 175.86 2cum n LEU 97 N 3.88 3.44 -3.63 0.66 4.77 -1.26 -4.88 117.00 119.98 2cum n LEU 97 Ca -0.24 1.19 -0.13 0.00 -0.03 0.00 0.00 56.01 56.80 2cum n LEU 97 Cb 0.52 -1.47 -0.07 0.00 -2.33 0.00 0.00 43.42 40.07 2cum n LEU 97 CO 0.23 -0.50 0.43 -0.60 -1.33 0.00 0.00 177.39 175.62 2cum s ARG 98 N -1.58 0.82 -0.88 3.23 6.06 -1.26 -5.10 118.95 120.24 2cum s ARG 98 Ca 0.58 1.01 -0.25 0.00 -2.50 0.00 0.00 55.73 54.57 2cum s ARG 98 Cb -0.58 0.38 0.00 0.00 0.06 0.00 0.00 34.95 34.81 2cum s ARG 98 CO 0.60 -0.10 1.67 0.42 -2.50 0.00 0.00 175.30 175.39 2cum s ILE 99 N 0.49 3.63 0.17 4.11 1.09 -1.26 -4.95 121.20 124.48 2cum s ILE 99 Ca -0.01 -0.31 -0.33 0.00 -1.10 0.00 0.00 60.65 58.90 2cum s ILE 99 Cb -0.05 -4.48 -0.16 0.00 -1.06 0.00 0.00 42.46 36.71 2cum s ILE 99 CO -0.01 -1.40 1.09 -0.24 -0.10 0.00 0.00 174.94 174.28 2cum n SER 100 N 11.44 1.03 -4.87 3.58 2.88 -1.26 -4.94 113.62 121.49 2cum n SER 100 Ca 0.30 1.15 -0.31 0.00 -1.33 0.00 0.00 58.87 58.68 2cum n SER 100 Cb 0.49 -1.18 -0.01 0.00 -0.75 0.00 0.00 64.21 62.76 2cum n SER 100 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2cum s GLY 101 N -0.13 1.82 -0.64 0.46 0.00 -1.26 -4.97 107.32 102.59 2cum s GLY 101 Ca 0.73 -0.10 -0.26 0.00 0.00 0.00 0.00 44.72 45.09 2cum s GLY 101 CO 0.53 0.14 1.87 2.56 0.00 0.00 0.00 173.10 178.21 2cum s PRO 102 N -4.49 2.62 -0.13 2.90 0.04 -1.26 -4.93 135.00 129.74 2cum s PRO 102 Ca 0.54 0.52 -0.08 0.00 0.04 0.00 0.00 61.00 62.02 2cum s PRO 102 Cb -0.10 -4.46 0.05 0.00 0.04 0.00 0.00 34.50 30.03 2cum s PRO 102 CO 0.41 -2.80 0.32 -1.12 0.04 0.00 0.00 177.00 173.85 2cum s SER 103 N 8.09 -0.37 -0.15 6.66 0.01 -1.26 -5.15 113.70 121.53 2cum s SER 103 Ca 0.67 0.68 -0.08 0.00 1.31 0.00 0.00 55.95 58.54 2cum s SER 103 Cb -0.12 0.59 -0.04 0.00 0.21 0.00 0.00 66.02 66.66 2cum s SER 103 CO 0.18 -0.16 0.12 -0.55 0.41 0.00 0.00 173.24 173.24 2cum s SER 104 N 1.06 6.19 0.00 2.44 0.15 -1.26 -5.26 113.70 117.02 2cum s SER 104 Ca -0.07 0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.92 2cum s SER 104 Cb -0.08 -2.02 0.00 0.00 -1.71 0.00 0.00 66.02 62.21 2cum s SER 104 CO -0.08 0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.29