#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfs s PRO 2 N 0.00 3.20 0.15 0.03 0.04 -1.26 -4.89 135.00 132.28 2kfs s PRO 2 Ca 0.00 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.16 2kfs s PRO 2 Cb 0.00 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2kfs s PRO 2 CO 0.00 -0.90 0.00 0.41 0.04 0.00 0.00 177.00 176.55 2kfs n GLY 3 N -1.33 -1.55 3.77 0.56 0.00 -1.26 -5.13 105.19 100.26 2kfs n GLY 3 Ca 0.08 0.54 -0.38 0.00 0.00 0.00 0.00 46.02 46.26 2kfs n GLY 3 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kfs s ARG 4 N -2.00 3.86 -0.42 1.61 1.81 -1.26 -4.97 118.95 117.58 2kfs s ARG 4 Ca 0.00 1.87 -0.27 0.00 -1.72 0.00 0.00 55.73 55.61 2kfs s ARG 4 Cb 0.00 -2.54 0.02 0.00 -0.45 0.00 0.00 34.95 31.98 2kfs s ARG 4 CO 0.00 -0.49 1.01 0.00 -0.68 0.00 0.00 175.30 175.14 2kfs s ALA 5 N -1.45 3.29 1.26 2.13 0.00 -1.26 -5.03 121.76 120.70 2kfs s ALA 5 Ca 0.61 -0.51 -0.19 0.00 0.00 0.00 0.00 51.96 51.86 2kfs s ALA 5 Cb -0.31 -3.69 0.28 0.00 0.00 0.00 0.00 23.12 19.40 2kfs s ALA 5 CO 0.38 -1.92 0.92 -2.30 0.00 0.00 0.00 175.76 172.85 2kfs n PRO 6 N 7.22 -3.23 0.00 0.00 -0.02 -1.26 -4.71 135.00 132.99 2kfs n PRO 6 Ca 0.09 -1.49 0.00 0.00 -2.02 0.00 0.00 63.50 60.08 2kfs n PRO 6 Cb 0.48 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 2kfs n PRO 6 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kfs n GLY 7 N -4.14 0.97 0.09 -1.23 0.00 -1.26 -4.94 105.19 94.68 2kfs n GLY 7 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 2kfs n GLY 7 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kfs h SER 8 N 0.00 0.18 -3.39 1.61 0.02 -1.95 -3.42 113.55 106.60 2kfs h SER 8 Ca 0.00 -0.26 -0.24 0.00 -0.84 0.00 0.00 61.79 60.45 2kfs h SER 8 Cb 0.00 -0.05 -0.32 0.00 0.14 0.00 0.00 62.40 62.17 2kfs h SER 8 CO 0.00 0.40 -0.58 -0.89 -1.14 0.00 0.00 176.83 174.62 2kfs s THR 9 N -5.15 -0.06 0.34 -2.27 2.01 -1.26 -5.14 115.64 104.11 2kfs s THR 9 Ca -0.14 0.19 -0.26 0.00 0.31 0.00 0.00 61.69 61.78 2kfs s THR 9 Cb 0.05 -0.27 -0.09 0.00 0.01 0.00 0.00 72.50 72.20 2kfs s THR 9 CO 0.70 0.08 1.04 -0.76 -0.69 0.00 0.00 174.62 174.98 2kfs s LEU 10 N 1.27 4.33 -0.80 4.42 1.43 -1.26 -4.38 118.68 123.68 2kfs s LEU 10 Ca -0.08 2.06 -0.22 0.00 -1.03 0.00 0.00 54.13 54.86 2kfs s LEU 10 Cb -0.11 -3.95 0.08 0.00 0.03 0.00 0.00 46.19 42.23 2kfs s LEU 10 CO -0.06 -0.27 1.12 0.00 0.23 0.00 0.00 176.35 177.37 2kfs s ALA 11 N -1.47 3.09 -1.01 4.21 0.00 -1.03 -4.89 121.76 120.65 2kfs s ALA 11 Ca 0.51 -2.12 -0.04 0.00 0.00 0.00 0.00 51.96 50.31 2kfs s ALA 11 Cb -0.24 -4.06 0.27 0.00 0.00 0.00 0.00 23.12 19.09 2kfs s ALA 11 CO 0.31 -3.02 1.14 0.54 0.00 0.00 0.00 175.76 174.72 2kfs n ARG 12 N 7.73 3.57 -3.95 0.00 1.74 -1.26 -4.12 116.66 120.37 2kfs n ARG 12 Ca 0.11 -4.52 -0.10 0.00 -0.77 0.00 0.00 57.85 52.57 2kfs n ARG 12 Cb 0.48 -2.48 -0.11 0.00 -1.02 0.00 0.00 32.46 29.33 2kfs n ARG 12 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2kfs s VAL 13 N -1.95 0.11 -0.61 1.55 -7.23 -1.26 -5.07 120.40 105.94 2kfs s VAL 13 Ca 0.31 -0.88 -0.00 0.00 -1.81 0.00 0.00 61.98 59.60 2kfs s VAL 13 Cb -0.02 -0.36 0.51 0.00 0.56 0.00 0.00 36.38 37.07 2kfs s VAL 13 CO -0.02 -0.48 2.01 0.61 -0.31 0.00 0.00 175.10 176.90 2kfs n GLY 14 N 1.49 5.49 0.04 2.32 0.00 -1.26 -4.15 105.19 109.13 2kfs n GLY 14 Ca -0.23 -1.97 0.04 0.00 0.00 0.00 0.00 46.02 43.85 2kfs n GLY 14 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kfs n SER 15 N -0.97 2.01 -4.12 1.61 7.64 -1.26 -4.99 113.62 113.53 2kfs n SER 15 Ca 0.62 -2.38 -0.32 0.00 1.01 0.00 0.00 58.87 57.80 2kfs n SER 15 Cb 0.93 -0.17 -0.16 0.00 -1.01 0.00 0.00 64.21 63.80 2kfs n SER 15 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2kfs s ILE 16 N -1.65 1.99 0.12 0.44 1.01 -1.26 -4.69 121.20 117.15 2kfs s ILE 16 Ca 0.12 -0.91 -0.30 0.00 0.00 0.00 0.00 60.65 59.56 2kfs s ILE 16 Cb 0.11 -1.79 -0.06 0.00 0.01 0.00 0.00 42.46 40.73 2kfs s ILE 16 CO 0.01 0.53 1.05 -2.84 0.00 0.00 0.00 174.94 173.69 2kfs s PRO 17 N 1.15 4.61 0.06 2.79 0.02 -1.26 -5.07 135.00 137.30 2kfs s PRO 17 Ca 0.01 1.60 0.04 0.00 0.02 0.00 0.00 61.00 62.67 2kfs s PRO 17 Cb -0.14 -3.34 -0.03 0.00 0.02 0.00 0.00 34.50 31.01 2kfs s PRO 17 CO -0.09 0.07 -0.12 0.00 -0.33 0.00 0.00 177.00 176.53 2kfs s ALA 18 N 0.14 1.01 0.09 -1.55 0.00 -1.26 -3.65 121.76 116.53 2kfs s ALA 18 Ca 0.50 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.52 2kfs s ALA 18 Cb -0.26 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 22.81 2kfs s ALA 18 CO 0.32 0.11 0.05 0.41 0.00 0.00 0.00 175.76 176.64 2kfs n GLY 19 N 1.30 3.24 3.79 0.00 0.00 -0.23 -4.87 105.19 108.41 2kfs n GLY 19 Ca -0.21 -2.20 -0.39 0.00 0.00 0.00 0.00 46.02 43.22 2kfs n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kfs s ASP 20 N -1.50 7.12 -0.34 1.61 2.15 -1.26 -0.82 116.67 123.63 2kfs s ASP 20 Ca 0.04 1.34 -0.29 0.00 0.43 0.00 0.00 52.55 54.07 2kfs s ASP 20 Cb -0.00 -2.40 -0.01 0.00 -0.30 0.00 0.00 42.92 40.21 2kfs s ASP 20 CO 0.02 0.20 1.55 1.51 -0.17 0.00 0.00 175.17 178.28 2kfs s ASP 21 N -0.80 6.25 -0.64 -0.34 -4.77 -1.20 -4.74 116.67 110.44 2kfs s ASP 21 Ca 0.32 1.15 -0.02 0.00 -3.30 0.00 0.00 52.55 50.70 2kfs s ASP 21 Cb -0.20 -2.53 0.31 0.00 -1.09 0.00 0.00 42.92 39.41 2kfs s ASP 21 CO 0.20 -1.44 2.16 0.52 0.70 0.00 0.00 175.17 177.32 2kfs n VAL 22 N 6.96 3.44 -4.12 2.11 0.31 -1.26 -4.94 118.33 120.84 2kfs n VAL 22 Ca 0.19 -3.22 -0.22 0.00 -0.01 0.00 0.00 64.34 61.08 2kfs n VAL 22 Cb 0.47 -1.29 -0.05 0.00 -0.91 0.00 0.00 33.84 32.06 2kfs n VAL 22 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2kfs s LEU 23 N -3.33 3.60 -0.01 7.52 1.43 -1.26 -4.86 118.68 121.77 2kfs s LEU 23 Ca 0.55 -0.41 -0.08 0.00 -1.03 0.00 0.00 54.13 53.16 2kfs s LEU 23 Cb 0.42 -2.14 -0.05 0.00 0.03 0.00 0.00 46.19 44.46 2kfs s LEU 23 CO -0.19 -0.09 0.26 -0.62 0.23 0.00 0.00 176.35 175.95 2kfs s ASP 24 N -3.82 6.52 0.61 2.29 -1.08 -1.26 -4.99 116.67 114.93 2kfs s ASP 24 Ca 0.34 0.59 0.28 0.00 -0.52 0.00 0.00 52.55 53.24 2kfs s ASP 24 Cb -0.07 -2.11 1.38 0.00 -1.46 0.00 0.00 42.92 40.66 2kfs s ASP 24 CO 0.24 0.29 1.79 -0.65 0.52 0.00 0.00 175.17 177.35 2kfs h PRO 25 N 4.24 0.00 -0.18 4.34 0.11 -2.01 0.11 132.00 138.61 2kfs h PRO 25 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2kfs h PRO 25 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2kfs h PRO 25 CO 0.64 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.18 2kfs n ASP 26 N -3.48 2.68 -4.70 -2.05 8.00 -1.26 -4.87 116.55 110.87 2kfs n ASP 26 Ca 0.09 -1.87 -0.42 0.00 0.71 0.00 0.00 54.79 53.30 2kfs n ASP 26 Cb 0.76 -0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.72 2kfs n ASP 26 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2kfs s GLU 27 N -1.79 4.45 0.38 -1.24 0.41 0.38 -4.99 118.70 116.31 2kfs s GLU 27 Ca 0.34 1.52 -0.27 0.00 -0.41 0.00 0.00 54.97 56.15 2kfs s GLU 27 Cb 0.21 -3.49 -0.09 0.00 -1.78 0.00 0.00 34.13 28.98 2kfs s GLU 27 CO 0.30 -0.25 1.27 -1.25 -0.49 0.00 0.00 175.26 174.85 2kfs s PRO 28 N 1.58 4.11 0.23 0.39 0.04 -1.26 -4.90 135.00 135.19 2kfs s PRO 28 Ca 0.53 2.11 0.01 0.00 0.04 0.00 0.00 61.00 63.68 2kfs s PRO 28 Cb -0.22 -2.84 -0.00 0.00 0.04 0.00 0.00 34.50 31.48 2kfs s PRO 28 CO 0.24 -0.36 0.02 0.25 0.04 0.00 0.00 177.00 177.19 2kfs n THR 29 N 0.33 0.00 -4.24 1.26 -2.24 -1.26 -1.20 114.28 106.92 2kfs n THR 29 Ca 0.03 -1.16 -0.14 0.00 -2.27 0.00 0.00 64.05 60.51 2kfs n THR 29 Cb 0.44 0.29 -0.10 0.00 -2.10 0.00 0.00 70.33 68.85 2kfs n THR 29 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2kfs s TYR 30 N -2.00 1.22 0.10 4.78 2.02 0.21 -4.41 117.35 119.27 2kfs s TYR 30 Ca 0.03 -0.88 0.03 0.00 -0.37 0.00 0.00 57.07 55.89 2kfs s TYR 30 Cb 0.00 -0.67 -0.04 0.00 -0.40 0.00 0.00 41.96 40.86 2kfs s TYR 30 CO 0.02 -0.05 -0.09 0.16 -1.57 0.00 0.00 175.55 174.01 2kfs s ASP 31 N -3.16 1.42 0.15 2.29 1.47 -1.26 -0.31 116.67 117.26 2kfs s ASP 31 Ca 0.19 -0.86 -0.22 0.00 1.18 0.00 0.00 52.55 52.85 2kfs s ASP 31 Cb 0.04 0.02 0.04 0.00 -0.34 0.00 0.00 42.92 42.68 2kfs s ASP 31 CO 0.01 -0.30 1.64 -0.07 0.68 0.00 0.00 175.17 177.13 2kfs h LEU 32 N 3.41 -0.70 -1.63 2.11 -0.00 -1.84 0.27 115.31 116.93 2kfs h LEU 32 Ca -0.37 0.13 0.05 0.00 -0.00 0.00 0.00 57.88 57.70 2kfs h LEU 32 Cb 1.19 0.34 -0.03 0.00 -0.00 0.00 0.00 40.66 42.16 2kfs h LEU 32 CO 0.56 -0.25 0.33 1.55 -0.00 0.00 0.00 178.44 180.62 2kfs h PRO 33 N -0.21 0.45 -0.37 1.13 0.13 -1.98 0.58 132.00 131.74 2kfs h PRO 33 Ca 0.14 -0.03 -0.13 0.00 -0.87 0.00 0.00 66.00 65.11 2kfs h PRO 33 Cb 0.43 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.45 2kfs h PRO 33 CO -0.38 0.30 -0.30 -0.09 -0.23 0.00 0.00 178.00 177.30 2kfs h ARG 34 N 0.47 0.85 -0.51 0.86 9.65 -1.36 -1.32 114.38 123.01 2kfs h ARG 34 Ca 0.21 -0.42 -0.12 0.00 -1.10 0.00 0.00 59.98 58.55 2kfs h ARG 34 Cb 0.24 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.81 2kfs h ARG 34 CO -0.05 1.06 -0.16 0.28 2.80 0.00 0.00 179.97 183.89 2kfs h VAL 35 N 0.64 1.27 -0.91 0.20 2.07 0.06 0.92 116.25 120.50 2kfs h VAL 35 Ca 0.07 -1.32 0.01 0.00 0.82 0.00 0.00 66.70 66.27 2kfs h VAL 35 Cb 0.88 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 2kfs h VAL 35 CO 0.08 0.46 0.59 0.00 0.02 0.00 0.00 177.57 178.72 2kfs h ALA 36 N 0.93 1.15 -0.41 1.67 0.00 -0.82 0.17 119.26 121.95 2kfs h ALA 36 Ca 0.12 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 2kfs h ALA 36 Cb 0.73 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2kfs h ALA 36 CO 0.06 0.57 -0.24 1.49 0.00 0.00 0.00 179.25 181.12 2kfs h GLU 37 N 1.24 0.89 -0.24 0.00 4.57 -0.80 0.71 114.58 120.95 2kfs h GLU 37 Ca 0.33 -0.41 -0.08 0.00 -1.18 0.00 0.00 59.36 58.02 2kfs h GLU 37 Cb -0.12 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.45 2kfs h GLU 37 CO -0.07 1.06 -0.17 1.25 -1.18 0.00 0.00 179.01 179.90 2kfs h LEU 38 N 0.71 0.57 0.00 1.64 5.85 -0.17 -3.18 115.31 120.73 2kfs h LEU 38 Ca 0.09 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.36 2kfs h LEU 38 Cb 0.81 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.69 2kfs h LEU 38 CO 0.07 0.89 -0.56 0.18 -0.34 0.00 0.00 178.44 178.68 2kfs n LEU 39 N -4.43 0.65 -0.41 2.25 4.77 0.52 -4.94 117.00 115.40 2kfs n LEU 39 Ca -0.04 0.22 -0.05 0.00 -0.03 0.00 0.00 56.01 56.11 2kfs n LEU 39 Cb 0.39 -0.21 -0.01 0.00 -2.33 0.00 0.00 43.42 41.25 2kfs n LEU 39 CO 0.41 -0.03 -0.05 0.61 -1.33 0.00 0.00 177.39 177.01 2kfs n GLY 40 N 1.37 0.52 3.08 -0.72 0.00 0.17 -5.02 105.19 104.59 2kfs n GLY 40 Ca 0.04 -0.80 -0.19 0.00 0.00 0.00 0.00 46.02 45.07 2kfs n GLY 40 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kfs s VAL 41 N -2.19 0.87 0.79 1.61 -7.23 -0.76 -5.02 120.40 108.47 2kfs s VAL 41 Ca 0.00 -0.74 -0.14 0.00 -1.81 0.00 0.00 61.98 59.29 2kfs s VAL 41 Cb 0.00 -0.78 0.07 0.00 0.56 0.00 0.00 36.38 36.23 2kfs s VAL 41 CO 0.00 0.05 1.18 -0.81 -0.31 0.00 0.00 175.10 175.21 2kfs n PRO 42 N 2.27 0.29 -0.28 4.82 -0.04 -1.26 -4.23 135.00 136.57 2kfs n PRO 42 Ca -0.17 0.17 0.20 0.00 -0.04 0.00 0.00 63.50 63.67 2kfs n PRO 42 Cb 0.56 -2.42 0.50 0.00 -0.04 0.00 0.00 33.50 32.09 2kfs n PRO 42 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2kfs h VAL 43 N -0.73 0.62 -0.74 0.52 2.07 -1.92 0.03 116.25 116.10 2kfs h VAL 43 Ca -0.47 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 66.95 2kfs h VAL 43 Cb 1.31 0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 2kfs h VAL 43 CO 0.46 0.08 0.45 -1.28 0.02 0.00 0.00 177.57 177.30 2kfs h SER 44 N 0.43 0.71 -0.04 0.57 0.87 -1.98 0.17 113.55 114.27 2kfs h SER 44 Ca 0.53 0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.96 2kfs h SER 44 Cb 1.29 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.11 2kfs h SER 44 CO -0.23 0.47 -0.42 0.11 -0.53 0.00 0.00 176.83 176.23 2kfs h LYS 45 N 0.85 0.57 -0.65 2.24 1.57 -1.34 -2.30 116.57 117.52 2kfs h LYS 45 Ca 0.32 -0.30 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 2kfs h LYS 45 Cb 0.11 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 2kfs h LYS 45 CO -0.15 0.89 0.11 0.28 -0.57 0.00 0.00 179.45 180.01 2kfs h VAL 46 N 0.47 1.26 -0.68 0.50 2.07 -1.03 -2.44 116.25 116.40 2kfs h VAL 46 Ca 0.04 -1.02 0.03 0.00 0.82 0.00 0.00 66.70 66.57 2kfs h VAL 46 Cb 0.93 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 2kfs h VAL 46 CO 0.08 0.38 0.45 0.00 0.02 0.00 0.00 177.57 178.50 2kfs h ALA 47 N 1.04 1.59 -0.65 1.67 0.00 -0.41 -0.13 119.26 122.37 2kfs h ALA 47 Ca 0.20 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 2kfs h ALA 47 Cb 0.43 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2kfs h ALA 47 CO 0.01 0.35 0.05 1.96 0.00 0.00 0.00 179.25 181.63 2kfs h GLN 48 N 0.85 1.11 -0.44 0.00 1.08 -0.96 0.16 115.11 116.91 2kfs h GLN 48 Ca 0.27 -0.32 -0.02 0.00 -1.45 0.00 0.00 58.65 57.12 2kfs h GLN 48 Cb 0.02 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.31 2kfs h GLN 48 CO -0.07 1.04 0.18 1.96 -0.95 0.00 0.00 178.83 180.99 2kfs h GLN 49 N 1.02 0.65 -0.45 1.46 4.20 -0.96 -2.30 115.11 118.73 2kfs h GLN 49 Ca 0.19 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 2kfs h GLN 49 Cb 0.51 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 2kfs h GLN 49 CO 0.02 0.59 0.17 -0.07 -0.67 0.00 0.00 178.83 178.87 2kfs h LEU 50 N 0.56 0.58 -1.13 1.46 3.38 -0.72 -0.22 115.31 119.22 2kfs h LEU 50 Ca 0.15 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 2kfs h LEU 50 Cb 0.18 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2kfs h LEU 50 CO -0.01 0.53 -0.13 0.03 0.09 0.00 0.00 178.44 178.96 2kfs h ARG 51 N 0.64 0.46 0.00 1.13 2.47 -0.18 -2.63 114.38 116.27 2kfs h ARG 51 Ca 0.16 -0.13 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2kfs h ARG 51 Cb 0.14 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 2kfs h ARG 51 CO -0.01 0.58 -0.29 0.39 0.56 0.00 0.00 179.97 181.20 2kfs n GLU 52 N -4.21 0.13 -2.04 0.04 1.02 -0.68 -4.91 120.64 109.99 2kfs n GLU 52 Ca 0.00 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 2kfs n GLU 52 Cb 0.32 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 2kfs n GLU 52 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kfs n GLY 53 N 1.42 0.71 0.18 0.62 0.00 -0.78 -4.94 105.19 102.39 2kfs n GLY 53 Ca 0.05 -0.73 0.09 0.00 0.00 0.00 0.00 46.02 45.43 2kfs n GLY 53 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2kfs h HIS 54 N 0.00 0.00 -3.33 1.61 6.17 -1.31 -3.43 115.15 114.86 2kfs h HIS 54 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 60.37 61.01 2kfs h HIS 54 Cb 0.92 0.00 -0.14 0.00 2.52 0.00 0.00 27.41 30.70 2kfs h HIS 54 CO 0.00 0.15 -0.14 -1.17 0.71 0.00 0.00 177.93 177.49 2kfs s LEU 55 N -6.11 0.57 0.05 0.26 2.96 -1.26 -4.33 118.68 110.82 2kfs s LEU 55 Ca 0.05 -0.25 0.06 0.00 -0.22 0.00 0.00 54.13 53.76 2kfs s LEU 55 Cb 0.07 1.66 -0.02 0.00 0.50 0.00 0.00 46.19 48.39 2kfs s LEU 55 CO 0.71 -0.76 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.13 2kfs s VAL 56 N -3.30 1.28 0.26 1.68 1.01 -1.26 -4.54 120.40 115.52 2kfs s VAL 56 Ca 0.00 -1.10 0.11 0.00 0.00 0.00 0.00 61.98 61.00 2kfs s VAL 56 Cb 0.01 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 2kfs s VAL 56 CO -0.08 0.04 -0.17 0.00 0.00 0.00 0.00 175.10 174.88 2kfs s ALA 57 N -0.88 2.79 0.17 5.51 0.00 -1.24 -4.41 121.76 123.70 2kfs s ALA 57 Ca 0.03 -1.78 0.03 0.00 0.00 0.00 0.00 51.96 50.24 2kfs s ALA 57 Cb -0.08 -0.38 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 2kfs s ALA 57 CO 0.02 0.31 -0.05 0.14 0.00 0.00 0.00 175.76 176.18 2kfs s VAL 58 N -2.29 0.99 -0.27 0.00 -7.23 0.91 -1.07 120.40 111.43 2kfs s VAL 58 Ca 0.28 -2.03 -0.05 0.00 -1.81 0.00 0.00 61.98 58.38 2kfs s VAL 58 Cb -0.06 -2.02 0.01 0.00 0.56 0.00 0.00 36.38 34.87 2kfs s VAL 58 CO 0.15 -0.59 0.03 -0.60 -0.31 0.00 0.00 175.10 173.77 2kfs s ARG 59 N -3.82 3.06 -0.06 4.82 3.52 -0.01 -0.99 118.95 125.47 2kfs s ARG 59 Ca 0.21 -0.86 0.02 0.00 -0.13 0.00 0.00 55.73 54.96 2kfs s ARG 59 Cb 0.04 -3.23 0.02 0.00 -1.56 0.00 0.00 34.95 30.22 2kfs s ARG 59 CO 0.03 -0.40 -0.10 -0.98 -0.81 0.00 0.00 175.30 173.04 2kfs s ARG 60 N 1.45 1.45 -1.68 5.12 1.70 0.39 -3.23 118.95 124.15 2kfs s ARG 60 Ca 0.02 -0.32 0.00 0.00 -0.47 0.00 0.00 55.73 54.96 2kfs s ARG 60 Cb -0.17 -1.24 0.00 0.00 -0.57 0.00 0.00 34.95 32.97 2kfs s ARG 60 CO 0.00 -0.00 0.00 0.00 -1.08 0.00 0.00 175.30 174.22 2kfs n ALA 61 N 3.88 -0.24 0.00 7.88 0.00 -1.26 -0.68 120.51 130.08 2kfs n ALA 61 Ca -0.24 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2kfs n ALA 61 Cb 0.51 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.14 2kfs n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kfs n GLY 62 N -0.43 1.89 3.88 0.00 0.00 -1.26 -5.04 105.19 104.23 2kfs n GLY 62 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 2kfs n GLY 62 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kfs s GLY 63 N -2.21 2.29 -0.26 -0.02 0.00 0.14 -5.01 107.32 102.25 2kfs s GLY 63 Ca 0.00 -0.48 -0.13 0.00 0.00 0.00 0.00 44.72 44.11 2kfs s GLY 63 CO 0.00 -0.31 0.29 0.14 0.00 0.00 0.00 173.10 173.22 2kfs s VAL 64 N -1.46 5.25 0.16 1.40 1.01 -1.26 -0.46 120.40 125.04 2kfs s VAL 64 Ca 0.34 0.41 -0.01 0.00 0.00 0.00 0.00 61.98 62.72 2kfs s VAL 64 Cb -0.13 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2kfs s VAL 64 CO 0.20 0.23 0.10 0.68 0.00 0.00 0.00 175.10 176.31 2kfs s VAL 65 N 1.67 0.06 -0.11 2.92 -7.23 -0.16 -2.47 120.40 115.07 2kfs s VAL 65 Ca 0.12 -1.93 0.01 0.00 -1.81 0.00 0.00 61.98 58.37 2kfs s VAL 65 Cb -0.15 -2.23 -0.01 0.00 0.56 0.00 0.00 36.38 34.55 2kfs s VAL 65 CO 0.09 -0.27 -0.16 -0.63 -0.31 0.00 0.00 175.10 173.82 2kfs s ILE 66 N -4.09 2.82 0.10 -0.62 1.01 0.57 -0.07 121.20 120.93 2kfs s ILE 66 Ca 0.30 -0.76 -0.31 0.00 0.00 0.00 0.00 60.65 59.88 2kfs s ILE 66 Cb 0.07 -2.15 -0.09 0.00 0.01 0.00 0.00 42.46 40.30 2kfs s ILE 66 CO 0.06 0.54 1.62 -2.84 0.00 0.00 0.00 174.94 174.32 2kfs s PRO 67 N 0.19 4.20 0.55 2.79 0.02 -1.26 0.66 135.00 142.15 2kfs s PRO 67 Ca -0.09 2.34 0.30 0.00 0.02 0.00 0.00 61.00 63.56 2kfs s PRO 67 Cb -0.16 -3.45 1.61 0.00 0.02 0.00 0.00 34.50 32.52 2kfs s PRO 67 CO 0.06 -0.69 2.13 0.37 -0.33 0.00 0.00 177.00 178.53 2kfs h GLN 68 N 7.82 0.00 0.00 5.54 4.15 -1.36 -1.37 115.11 129.89 2kfs h GLN 68 Ca -0.43 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.99 2kfs h GLN 68 Cb 1.20 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.89 2kfs h GLN 68 CO 0.92 0.08 0.00 1.33 -1.93 0.00 0.00 178.83 179.23 2kfs n VAL 69 N -3.57 0.83 1.36 2.39 0.24 -1.26 -1.21 118.33 117.11 2kfs n VAL 69 Ca -0.02 0.21 0.13 0.00 -2.04 0.00 0.00 64.34 62.62 2kfs n VAL 69 Cb 0.20 -1.01 0.46 0.00 -1.47 0.00 0.00 33.84 32.02 2kfs n VAL 69 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2kfs n PHE 70 N -1.34 0.00 -4.36 6.34 3.01 -0.51 -4.83 117.46 115.76 2kfs n PHE 70 Ca 0.05 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.23 2kfs n PHE 70 Cb 0.10 -0.09 -0.11 0.00 -0.01 0.00 0.00 39.48 39.38 2kfs n PHE 70 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2kfs s PHE 71 N -2.32 2.43 0.86 1.38 0.40 -0.35 -3.06 117.98 117.32 2kfs s PHE 71 Ca 0.30 -0.31 -0.11 0.00 -0.60 0.00 0.00 56.93 56.20 2kfs s PHE 71 Cb 0.20 -1.25 0.15 0.00 0.51 0.00 0.00 43.02 42.63 2kfs s PHE 71 CO 0.45 0.44 1.20 0.95 0.70 0.00 0.00 175.22 178.96 2kfs s THR 72 N -1.42 2.06 0.43 0.64 -4.23 0.15 -4.88 115.64 108.38 2kfs s THR 72 Ca 0.20 -0.13 0.11 0.00 -1.18 0.00 0.00 61.69 60.68 2kfs s THR 72 Cb -0.09 -2.93 0.30 0.00 1.34 0.00 0.00 72.50 71.12 2kfs s THR 72 CO 0.10 0.00 2.02 -1.13 -0.54 0.00 0.00 174.62 175.07 2kfs h ASN 73 N -1.21 0.40 0.35 3.99 -0.73 -1.87 -0.04 115.58 116.47 2kfs h ASN 73 Ca -0.43 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.73 2kfs h ASN 73 Cb 1.27 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 39.77 2kfs h ASN 73 CO 0.47 0.26 0.00 -1.20 -0.37 0.00 0.00 177.43 176.59 2kfs n SER 74 N -4.48 0.00 -0.04 1.15 7.64 -1.26 -4.72 113.62 111.91 2kfs n SER 74 Ca 0.06 -0.45 0.00 0.00 1.01 0.00 0.00 58.87 59.50 2kfs n SER 74 Cb 0.23 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 2kfs n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kfs n GLY 75 N 1.12 0.52 3.61 0.23 0.00 -0.03 -4.95 105.19 105.70 2kfs n GLY 75 Ca 0.18 -0.81 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 2kfs n GLY 75 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kfs s GLN 76 N -3.87 2.53 0.18 1.61 0.74 -1.25 -4.80 119.66 114.80 2kfs s GLN 76 Ca 0.00 -0.76 -0.30 0.00 0.05 0.00 0.00 55.36 54.35 2kfs s GLN 76 Cb 0.00 -2.50 -0.09 0.00 1.10 0.00 0.00 33.01 31.52 2kfs s GLN 76 CO 0.00 0.59 1.34 0.08 -0.55 0.00 0.00 175.29 176.75 2kfs s VAL 77 N -1.06 3.17 0.13 1.34 1.01 -1.26 0.30 120.40 124.03 2kfs s VAL 77 Ca 0.19 0.93 -0.33 0.00 0.00 0.00 0.00 61.98 62.77 2kfs s VAL 77 Cb -0.11 -3.60 -0.13 0.00 0.00 0.00 0.00 36.38 32.55 2kfs s VAL 77 CO 0.10 0.12 1.69 0.52 0.00 0.00 0.00 175.10 177.53 2kfs n VAL 78 N 2.91 0.14 0.22 2.92 0.31 -1.17 -4.83 118.33 118.82 2kfs n VAL 78 Ca 0.07 -0.03 0.09 0.00 -0.01 0.00 0.00 64.34 64.47 2kfs n VAL 78 Cb 0.42 -1.76 0.51 0.00 -0.91 0.00 0.00 33.84 32.11 2kfs n VAL 78 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 2kfs h LYS 79 N 6.95 0.00 -0.27 5.55 2.10 -1.94 -1.23 116.57 127.73 2kfs h LYS 79 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 2kfs h LYS 79 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 2kfs h LYS 79 CO 0.92 0.24 0.00 0.43 -2.00 0.00 0.00 179.45 179.04 2kfs n SER 80 N -3.60 1.89 0.18 7.07 7.64 -1.26 -4.35 113.62 121.20 2kfs n SER 80 Ca -0.01 -1.85 -0.15 0.00 1.01 0.00 0.00 58.87 57.88 2kfs n SER 80 Cb 0.38 -0.18 -0.08 0.00 -1.01 0.00 0.00 64.21 63.32 2kfs n SER 80 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2kfs h LEU 81 N 2.29 -0.35 -1.70 -3.43 5.85 -1.57 -1.76 115.31 114.64 2kfs h LEU 81 Ca 0.00 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 2kfs h LEU 81 Cb 0.51 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 2kfs h LEU 81 CO 0.00 -0.20 -0.15 -0.65 -0.34 0.00 0.00 178.44 177.10 2kfs h PRO 82 N -0.47 0.00 -0.33 5.25 0.11 -1.76 -2.06 132.00 132.74 2kfs h PRO 82 Ca -0.04 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.03 2kfs h PRO 82 Cb 0.36 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 2kfs h PRO 82 CO 0.07 0.15 0.05 0.78 -0.21 0.00 0.00 178.00 178.84 2kfs h GLY 83 N 0.47 0.59 1.10 -0.55 0.00 -1.74 0.31 103.07 103.26 2kfs h GLY 83 Ca -0.00 -0.40 -0.13 0.00 0.00 0.00 0.00 47.33 46.80 2kfs h GLY 83 CO 0.02 0.37 -0.19 0.17 0.00 0.00 0.00 176.54 176.90 2kfs h LEU 84 N 0.37 1.02 -0.32 3.11 8.10 -0.92 -2.37 115.31 124.30 2kfs h LEU 84 Ca 0.10 -0.39 -0.02 0.00 0.11 0.00 0.00 57.88 57.68 2kfs h LEU 84 Cb 0.36 -0.28 -0.01 0.00 -0.44 0.00 0.00 40.66 40.29 2kfs h LEU 84 CO 0.01 1.18 0.12 -0.07 -4.11 0.00 0.00 178.44 175.56 2kfs h LEU 85 N 0.85 0.45 -0.53 0.17 3.38 -1.17 -3.04 115.31 115.42 2kfs h LEU 85 Ca 0.11 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2kfs h LEU 85 Cb 0.77 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 2kfs h LEU 85 CO 0.06 0.51 0.24 0.74 0.09 0.00 0.00 178.44 180.09 2kfs h THR 86 N 0.36 1.20 -0.20 0.22 2.02 -0.23 -0.06 112.91 116.22 2kfs h THR 86 Ca 0.10 -0.58 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 2kfs h THR 86 Cb 0.21 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2kfs h THR 86 CO -0.01 0.23 0.11 -0.29 0.37 0.00 0.00 175.52 175.93 2kfs h ILE 87 N 0.71 1.12 -0.40 3.11 -0.00 -1.40 0.10 117.51 120.75 2kfs h ILE 87 Ca 0.18 -0.33 -0.08 0.00 -0.00 0.00 0.00 64.86 64.62 2kfs h ILE 87 Cb 0.13 0.97 -0.01 0.00 -0.00 0.00 0.00 36.82 37.91 2kfs h ILE 87 CO -0.02 0.12 -0.08 -0.07 -0.00 0.00 0.00 178.15 178.09 2kfs h LEU 88 N 0.21 0.76 -1.12 2.19 -0.00 -1.43 -1.56 115.31 114.36 2kfs h LEU 88 Ca 0.07 -0.36 -0.06 0.00 -0.00 0.00 0.00 57.88 57.54 2kfs h LEU 88 Cb 0.09 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 40.52 2kfs h LEU 88 CO -0.01 0.94 0.01 -0.74 -0.00 0.00 0.00 178.44 178.63 2kfs h HIS 89 N 0.57 0.65 -0.01 1.13 2.76 -0.83 -0.68 115.15 118.73 2kfs h HIS 89 Ca 0.10 -0.07 -0.12 0.00 -2.20 0.00 0.00 60.37 58.08 2kfs h HIS 89 Cb 0.60 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.36 2kfs h HIS 89 CO 0.05 0.62 -0.55 0.22 -1.30 0.00 0.00 177.93 176.96 2kfs h ASP 90 N 0.59 0.02 0.91 3.26 3.58 -0.64 -2.71 116.42 121.43 2kfs h ASP 90 Ca 0.12 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.56 2kfs h ASP 90 Cb 0.37 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.41 2kfs h ASP 90 CO 0.01 0.57 -0.01 0.61 -2.88 0.00 0.00 179.24 177.54 2kfs n GLY 91 N 0.07 -1.46 0.33 -0.78 0.00 -0.38 -4.90 105.19 98.06 2kfs n GLY 91 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2kfs n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kfs n GLY 92 N 1.46 0.99 3.29 -0.02 0.00 -0.59 -4.93 105.19 105.39 2kfs n GLY 92 Ca 0.08 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 2kfs n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kfs s TYR 93 N -2.22 2.42 0.74 1.61 1.51 -0.49 -5.01 117.35 115.92 2kfs s TYR 93 Ca 0.00 -0.61 -0.08 0.00 -1.01 0.00 0.00 57.07 55.37 2kfs s TYR 93 Cb 0.00 -1.58 0.08 0.00 -0.11 0.00 0.00 41.96 40.35 2kfs s TYR 93 CO 0.00 -0.15 1.06 -0.98 -1.11 0.00 0.00 175.55 174.37 2kfs s ARG 94 N -0.31 2.01 0.22 -0.62 1.70 -1.26 -3.95 118.95 116.73 2kfs s ARG 94 Ca 0.01 -0.27 -0.08 0.00 -0.47 0.00 0.00 55.73 54.92 2kfs s ARG 94 Cb -0.13 -2.12 0.32 0.00 -0.57 0.00 0.00 34.95 32.45 2kfs s ARG 94 CO 0.02 -1.39 1.74 0.38 -1.08 0.00 0.00 175.30 174.97 2kfs h ASP 95 N -0.74 0.25 -0.82 -2.89 3.04 -1.99 -0.83 116.42 112.44 2kfs h ASP 95 Ca -0.44 0.08 -0.02 0.00 -3.24 0.00 0.00 57.03 53.41 2kfs h ASP 95 Cb 1.31 0.06 -0.04 0.00 -1.04 0.00 0.00 39.33 39.62 2kfs h ASP 95 CO 0.58 0.14 0.42 0.74 -2.04 0.00 0.00 179.24 179.08 2kfs h THR 96 N 0.43 1.25 -0.24 1.15 2.02 -1.94 -1.95 112.91 113.62 2kfs h THR 96 Ca 0.33 -0.67 -0.07 0.00 0.77 0.00 0.00 66.41 66.77 2kfs h THR 96 Cb 0.43 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 2kfs h THR 96 CO -0.33 0.29 -0.17 -0.33 0.37 0.00 0.00 175.52 175.36 2kfs h GLU 97 N 1.16 0.42 -0.05 6.66 5.08 -1.55 -0.38 114.58 125.92 2kfs h GLU 97 Ca 0.29 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2kfs h GLU 97 Cb 0.08 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 2kfs h GLU 97 CO -0.04 0.58 0.02 0.82 -1.00 0.00 0.00 179.01 179.40 2kfs h ILE 98 N 0.39 1.11 0.00 3.13 1.08 -0.56 -1.96 117.51 120.69 2kfs h ILE 98 Ca 0.07 -0.32 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 2kfs h ILE 98 Cb 0.52 1.24 0.00 0.00 -3.07 0.00 0.00 36.82 35.51 2kfs h ILE 98 CO 0.03 0.09 0.00 0.00 -0.69 0.00 0.00 178.15 177.59 2kfs h MET 99 N -0.05 0.00 0.49 2.37 -0.00 -1.38 -3.12 114.93 113.24 2kfs h MET 99 Ca 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.69 2kfs h MET 99 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.73 2kfs h MET 99 CO -0.00 0.00 -0.28 -0.09 -0.00 0.00 0.00 176.91 176.54 2kfs h ARG 100 N 0.00 -0.68 -0.07 -0.10 2.43 -0.25 -1.17 114.38 114.53 2kfs h ARG 100 Ca 0.00 0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.12 2kfs h ARG 100 Cb 0.63 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 2kfs h ARG 100 CO 0.00 -0.46 -0.42 0.11 -1.51 0.00 0.00 179.97 177.70 2kfs h TRP 101 N -0.71 0.19 -0.97 2.20 5.08 -1.67 -3.10 115.95 116.97 2kfs h TRP 101 Ca -0.07 -0.05 0.06 0.00 1.08 0.00 0.00 58.89 59.91 2kfs h TRP 101 Cb 0.56 -0.04 -0.06 0.00 -3.00 0.00 0.00 29.16 26.62 2kfs h TRP 101 CO 0.02 0.56 0.63 -0.07 -1.28 0.00 0.00 178.44 178.31 2kfs h LEU 102 N 0.14 1.02 -0.43 0.11 3.38 -1.46 -1.28 115.31 116.79 2kfs h LEU 102 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2kfs h LEU 102 Cb 0.80 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2kfs h LEU 102 CO 0.06 0.66 -0.10 0.49 0.09 0.00 0.00 178.44 179.64 2kfs n PHE 103 N -4.48 0.00 -2.99 1.13 3.01 -0.46 -3.22 117.46 110.45 2kfs n PHE 103 Ca 0.14 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.20 2kfs n PHE 103 Cb 0.16 -0.11 -0.05 0.00 -0.01 0.00 0.00 39.48 39.48 2kfs n PHE 103 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2kfs s THR 104 N -2.31 4.96 0.25 4.37 2.01 -0.48 -4.97 115.64 119.47 2kfs s THR 104 Ca 0.32 1.47 -0.31 0.00 0.31 0.00 0.00 61.69 63.48 2kfs s THR 104 Cb 0.20 -4.06 -0.12 0.00 0.01 0.00 0.00 72.50 68.53 2kfs s THR 104 CO 0.44 0.11 1.55 -2.65 -0.69 0.00 0.00 174.62 173.38 2kfs n PRO 105 N 4.76 2.43 -3.21 4.92 -0.02 -1.26 -4.37 135.00 138.25 2kfs n PRO 105 Ca 0.01 0.87 -0.40 0.00 -2.02 0.00 0.00 63.50 61.96 2kfs n PRO 105 Cb 0.50 -2.61 -0.07 0.00 -0.02 0.00 0.00 33.50 31.29 2kfs n PRO 105 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2kfs s ASP 106 N 0.55 6.51 0.42 2.55 -1.08 0.35 -4.94 116.67 121.04 2kfs s ASP 106 Ca 0.68 0.62 0.29 0.00 -0.52 0.00 0.00 52.55 53.62 2kfs s ASP 106 Cb -0.57 -2.30 1.53 0.00 -1.46 0.00 0.00 42.92 40.12 2kfs s ASP 106 CO 0.46 -0.27 1.87 1.55 0.52 0.00 0.00 175.17 179.30 2kfs h PRO 107 N 7.80 0.00 0.00 4.34 0.13 -1.88 -2.14 132.00 140.25 2kfs h PRO 107 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2kfs h PRO 107 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2kfs h PRO 107 CO 0.74 0.00 -0.05 0.43 -0.23 0.00 0.00 178.00 178.88 2kfs n SER 108 N -2.51 1.83 -4.43 1.44 7.64 -1.26 -4.69 113.62 111.63 2kfs n SER 108 Ca -0.02 -2.47 -0.39 0.00 1.01 0.00 0.00 58.87 57.00 2kfs n SER 108 Cb 0.06 -0.23 -0.12 0.00 -1.01 0.00 0.00 64.21 62.91 2kfs n SER 108 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2kfs s LEU 109 N -1.76 4.16 -0.24 -3.43 2.96 -0.80 -4.95 118.68 114.61 2kfs s LEU 109 Ca 0.16 -0.56 0.02 0.00 -0.22 0.00 0.00 54.13 53.53 2kfs s LEU 109 Cb 0.14 -2.01 0.06 0.00 0.50 0.00 0.00 46.19 44.88 2kfs s LEU 109 CO 0.01 -0.21 -0.09 -0.89 -1.32 0.00 0.00 176.35 173.85 2kfs s THR 110 N 1.61 1.90 0.12 3.68 2.01 -1.26 -0.40 115.64 123.30 2kfs s THR 110 Ca 0.04 -1.42 -0.01 0.00 0.31 0.00 0.00 61.69 60.62 2kfs s THR 110 Cb -0.17 -2.05 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 2kfs s THR 110 CO 0.06 -0.02 0.04 0.27 -0.69 0.00 0.00 174.62 174.28 2kfs s ILE 111 N 1.23 0.19 0.32 1.82 -4.36 -0.17 -4.87 121.20 115.37 2kfs s ILE 111 Ca -0.07 -1.90 -0.09 0.00 -0.26 0.00 0.00 60.65 58.32 2kfs s ILE 111 Cb -0.19 -1.98 -0.07 0.00 1.25 0.00 0.00 42.46 41.48 2kfs s ILE 111 CO -0.06 -0.55 0.65 0.28 0.24 0.00 0.00 174.94 175.51 2kfs s THR 112 N -3.98 4.87 0.46 8.37 -1.32 -1.26 0.25 115.64 123.03 2kfs s THR 112 Ca 0.22 0.48 0.05 0.00 -1.21 0.00 0.00 61.69 61.23 2kfs s THR 112 Cb 0.07 -3.69 -0.04 0.00 -1.51 0.00 0.00 72.50 67.34 2kfs s THR 112 CO 0.00 -0.31 0.10 -0.60 -2.21 0.00 0.00 174.62 171.60 2kfs s ARG 113 N -3.39 2.14 -0.85 7.08 3.52 0.82 -4.82 118.95 123.45 2kfs s ARG 113 Ca 0.49 -2.13 -0.22 0.00 -0.13 0.00 0.00 55.73 53.74 2kfs s ARG 113 Cb -0.11 -1.75 0.08 0.00 -1.56 0.00 0.00 34.95 31.62 2kfs s ARG 113 CO 0.26 -0.24 1.17 0.34 -0.81 0.00 0.00 175.30 176.02 2kfs s ASP 114 N -3.89 6.41 0.00 -2.12 2.15 -1.26 -3.80 116.67 114.16 2kfs s ASP 114 Ca 0.26 -1.41 0.00 0.00 0.43 0.00 0.00 52.55 51.83 2kfs s ASP 114 Cb 0.04 -2.46 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 2kfs s ASP 114 CO 0.14 -1.37 0.00 0.61 -0.17 0.00 0.00 175.17 174.39 2kfs n GLY 115 N 5.76 3.08 3.55 2.66 0.00 -1.26 -5.01 105.19 113.97 2kfs n GLY 115 Ca 0.15 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 2kfs n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kfs s SER 116 N 0.00 6.15 0.26 1.61 0.01 -1.25 -4.83 113.70 115.66 2kfs s SER 116 Ca 0.00 -0.47 0.12 0.00 1.31 0.00 0.00 55.95 56.92 2kfs s SER 116 Cb 0.00 -2.56 0.26 0.00 0.21 0.00 0.00 66.02 63.93 2kfs s SER 116 CO 0.00 -1.84 1.54 0.08 0.41 0.00 0.00 173.24 173.43 2kfs h ARG 117 N 10.12 0.00 -7.15 12.44 0.11 -1.95 0.23 114.38 128.18 2kfs h ARG 117 Ca -0.26 0.00 -0.48 0.00 0.10 0.00 0.00 59.98 59.34 2kfs h ARG 117 Cb 1.05 0.00 0.03 0.00 1.11 0.00 0.00 29.97 32.16 2kfs h ARG 117 CO 1.28 0.63 0.37 0.34 0.10 0.00 0.00 179.97 182.70 2kfs s ASP 118 N -6.65 6.29 0.01 0.08 2.15 -1.26 -4.70 116.67 112.59 2kfs s ASP 118 Ca 0.00 1.76 -0.30 0.00 0.43 0.00 0.00 52.55 54.44 2kfs s ASP 118 Cb 0.11 -2.53 -0.06 0.00 -0.30 0.00 0.00 42.92 40.14 2kfs s ASP 118 CO 0.75 -0.82 1.38 0.00 -0.17 0.00 0.00 175.17 176.32 2kfs s ALA 119 N -2.35 3.57 -0.22 3.66 0.00 -1.26 -4.44 121.76 120.72 2kfs s ALA 119 Ca 0.63 0.89 -0.06 0.00 0.00 0.00 0.00 51.96 53.43 2kfs s ALA 119 Cb -0.14 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 2kfs s ALA 119 CO 0.28 -0.86 0.03 0.08 0.00 0.00 0.00 175.76 175.29 2kfs s VAL 120 N 2.21 4.07 0.28 0.00 1.01 0.14 -4.89 120.40 123.22 2kfs s VAL 120 Ca 0.63 -0.26 -0.14 0.00 0.00 0.00 0.00 61.98 62.21 2kfs s VAL 120 Cb -0.32 -2.87 -0.08 0.00 0.00 0.00 0.00 36.38 33.11 2kfs s VAL 120 CO 0.27 0.40 0.67 -0.44 0.00 0.00 0.00 175.10 176.00 2kfs s SER 121 N 1.24 6.75 -1.39 3.32 0.01 -1.26 -0.99 113.70 121.38 2kfs s SER 121 Ca 0.04 1.18 -0.08 0.00 1.31 0.00 0.00 55.95 58.40 2kfs s SER 121 Cb -0.15 -2.33 0.03 0.00 0.21 0.00 0.00 66.02 63.79 2kfs s SER 121 CO 0.02 -0.13 0.99 0.59 0.41 0.00 0.00 173.24 175.12 2kfs n ASN 122 N -0.16 -4.17 -4.51 2.44 4.13 0.46 -4.94 115.26 108.51 2kfs n ASN 122 Ca 0.02 -0.69 -0.27 0.00 1.68 0.00 0.00 54.58 55.32 2kfs n ASN 122 Cb 0.53 -4.45 0.13 0.00 -1.54 0.00 0.00 39.78 34.45 2kfs n ASN 122 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kfs s ALA 123 N -3.39 2.89 -0.16 5.41 0.00 -0.79 -4.21 121.76 121.50 2kfs s ALA 123 Ca 0.41 -1.26 -0.23 0.00 0.00 0.00 0.00 51.96 50.89 2kfs s ALA 123 Cb -0.20 -2.53 -0.02 0.00 0.00 0.00 0.00 23.12 20.37 2kfs s ALA 123 CO 0.78 -1.86 0.73 0.50 0.00 0.00 0.00 175.76 175.91 2kfs s ARG 124 N -5.51 4.29 0.56 0.00 3.52 -1.26 -0.50 118.95 120.05 2kfs s ARG 124 Ca 0.68 0.83 0.29 0.00 -0.13 0.00 0.00 55.73 57.40 2kfs s ARG 124 Cb -0.06 -3.55 1.46 0.00 -1.56 0.00 0.00 34.95 31.24 2kfs s ARG 124 CO 0.48 -0.22 1.90 -1.35 -0.81 0.00 0.00 175.30 175.30 2kfs h PRO 125 N 7.29 0.00 -0.90 5.12 0.11 -1.75 -0.78 132.00 141.09 2kfs h PRO 125 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2kfs h PRO 125 Cb 1.15 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 2kfs h PRO 125 CO 0.80 0.00 0.57 0.28 -0.21 0.00 0.00 178.00 179.44 2kfs h VAL 126 N 0.00 1.24 -0.00 3.15 2.07 -1.92 -1.76 116.25 119.03 2kfs h VAL 126 Ca 0.31 -0.47 -0.10 0.00 0.82 0.00 0.00 66.70 67.26 2kfs h VAL 126 Cb 1.40 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2kfs h VAL 126 CO -0.00 0.24 -0.46 0.44 0.02 0.00 0.00 177.57 177.81 2kfs h ASP 127 N 1.22 0.01 -0.38 0.57 5.19 -1.47 -1.10 116.42 120.46 2kfs h ASP 127 Ca 0.33 -0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.68 2kfs h ASP 127 Cb -0.10 -0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.39 2kfs h ASP 127 CO -0.07 0.46 0.04 0.00 -3.12 0.00 0.00 179.24 176.55 2kfs h ALA 128 N 1.54 0.51 -0.15 3.45 0.00 -1.33 0.97 119.26 124.25 2kfs h ALA 128 Ca -0.00 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 2kfs h ALA 128 Cb 0.81 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2kfs h ALA 128 CO 0.06 0.24 -0.48 1.37 0.00 0.00 0.00 179.25 180.44 2kfs h LEU 129 N 0.48 0.41 -1.40 0.00 8.10 -1.12 0.32 115.31 122.09 2kfs h LEU 129 Ca 0.11 -0.20 -0.05 0.00 0.11 0.00 0.00 57.88 57.86 2kfs h LEU 129 Cb 0.40 -0.12 -0.01 0.00 -0.44 0.00 0.00 40.66 40.50 2kfs h LEU 129 CO 0.01 0.83 -0.23 -0.74 -4.11 0.00 0.00 178.44 174.20 2kfs h HIS 130 N 0.30 0.00 -0.39 0.17 2.76 -0.96 -1.02 115.15 116.02 2kfs h HIS 130 Ca 0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2kfs h HIS 130 Cb 0.96 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.92 2kfs h HIS 130 CO 0.03 0.23 0.00 0.00 -1.30 0.00 0.00 177.93 176.89 2kfs n ALA 131 N -2.28 2.45 -2.46 5.26 0.00 0.31 -4.81 120.51 118.98 2kfs n ALA 131 Ca -0.01 -0.83 -0.12 0.00 0.00 0.00 0.00 53.44 52.48 2kfs n ALA 131 Cb 0.37 -0.97 0.01 0.00 0.00 0.00 0.00 19.45 18.86 2kfs n ALA 131 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2kfs n HIS 132 N 0.97 -0.81 -1.22 0.00 -0.00 -0.38 -4.90 115.22 108.87 2kfs n HIS 132 Ca 0.18 0.15 0.02 0.00 -0.00 0.00 0.00 57.72 58.07 2kfs n HIS 132 Cb 0.46 -2.75 0.22 0.00 -0.00 0.00 0.00 29.99 27.92 2kfs n HIS 132 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 2kfs n GLN 133 N -2.31 2.33 -0.08 -0.41 6.02 0.11 -4.79 117.38 118.25 2kfs n GLN 133 Ca -0.09 -2.99 0.24 0.00 -0.01 0.00 0.00 57.00 54.14 2kfs n GLN 133 Cb 0.58 -1.83 0.71 0.00 1.02 0.00 0.00 30.24 30.72 2kfs n GLN 133 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kfs h ALA 134 N 1.32 2.64 -0.65 -1.58 0.00 -1.78 -1.14 119.26 118.07 2kfs h ALA 134 Ca 0.12 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.07 2kfs h ALA 134 Cb 1.56 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.37 2kfs h ALA 134 CO 0.31 -0.86 0.43 0.00 0.00 0.00 0.00 179.25 179.13 2kfs h ARG 135 N 0.00 0.64 -0.07 0.00 3.08 -1.93 0.20 114.38 116.31 2kfs h ARG 135 Ca 0.33 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 60.20 2kfs h ARG 135 Cb 1.33 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 2kfs h ARG 135 CO -0.00 0.42 -0.58 0.93 -1.07 0.00 0.00 179.97 179.67 2kfs h GLU 136 N 0.66 0.21 -0.22 0.04 3.07 -1.62 0.14 114.58 116.85 2kfs h GLU 136 Ca 0.28 -0.14 -0.13 0.00 -0.50 0.00 0.00 59.36 58.87 2kfs h GLU 136 Cb 0.25 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.18 2kfs h GLU 136 CO -0.09 0.73 -0.37 0.28 -1.40 0.00 0.00 179.01 178.16 2kfs h VAL 137 N 0.16 1.32 -0.75 3.13 2.07 -1.20 -2.13 116.25 118.85 2kfs h VAL 137 Ca -0.00 -1.58 0.02 0.00 0.82 0.00 0.00 66.70 65.95 2kfs h VAL 137 Cb 1.06 1.78 -0.04 0.00 -1.52 0.00 0.00 31.29 32.57 2kfs h VAL 137 CO 0.09 0.49 0.49 0.58 0.02 0.00 0.00 177.57 179.24 2kfs h VAL 138 N 0.35 1.16 -0.27 2.57 2.07 -0.34 0.10 116.25 121.89 2kfs h VAL 138 Ca 0.02 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 2kfs h VAL 138 Cb 0.96 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2kfs h VAL 138 CO 0.08 0.18 0.17 -0.09 0.02 0.00 0.00 177.57 177.93 2kfs h ARG 139 N 0.98 0.37 -0.86 1.57 2.43 -0.84 0.16 114.38 118.18 2kfs h ARG 139 Ca 0.29 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 2kfs h ARG 139 Cb -0.06 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.37 2kfs h ARG 139 CO -0.08 0.28 0.50 -0.09 -1.51 0.00 0.00 179.97 179.07 2kfs h ARG 140 N 0.35 1.18 -0.33 0.20 9.65 -0.96 -2.18 114.38 122.29 2kfs h ARG 140 Ca 0.10 -0.12 0.01 0.00 -1.10 0.00 0.00 59.98 58.86 2kfs h ARG 140 Cb 0.00 -0.24 -0.02 0.00 -1.39 0.00 0.00 29.97 28.32 2kfs h ARG 140 CO -0.02 0.85 0.22 0.00 2.80 0.00 0.00 179.97 183.81 2kfs h ALA 141 N 1.35 0.42 -0.90 2.80 0.00 -0.16 -1.37 119.26 121.41 2kfs h ALA 141 Ca 0.31 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.23 2kfs h ALA 141 Cb -0.02 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 2kfs h ALA 141 CO -0.05 -0.12 0.58 1.96 0.00 0.00 0.00 179.25 181.61 2kfs h GLN 142 N 0.44 1.09 -0.30 0.00 4.20 -0.23 0.38 115.11 120.70 2kfs h GLN 142 Ca 0.12 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.67 2kfs h GLN 142 Cb -0.04 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.48 2kfs h GLN 142 CO -0.03 0.72 -0.21 0.00 -0.67 0.00 0.00 178.83 178.63 2kfs h ALA 143 N 1.37 1.08 0.14 3.87 0.00 -1.01 -1.72 119.26 123.00 2kfs h ALA 143 Ca 0.36 -0.33 -0.28 0.00 0.00 0.00 0.00 54.91 54.65 2kfs h ALA 143 Cb 0.02 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.68 2kfs h ALA 143 CO -0.12 0.56 -1.29 1.98 0.00 0.00 0.00 179.25 180.38 2kfs h MET 144 N 0.49 0.29 -0.00 0.00 1.85 -0.57 -3.36 114.93 113.63 2kfs h MET 144 Ca 0.08 -0.50 -0.00 0.00 -0.61 0.00 0.00 59.70 58.66 2kfs h MET 144 Cb 0.64 0.19 0.00 0.00 0.43 0.00 0.00 31.60 32.86 2kfs h MET 144 CO 0.05 1.23 -0.01 0.00 -0.40 0.00 0.00 176.91 177.78 2kfs h ALA 145 N 0.54 0.01 -0.02 0.39 0.00 -0.12 -3.51 119.26 116.54 2kfs h ALA 145 Ca -0.15 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2kfs h ALA 145 Cb 1.99 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.78 2kfs h ALA 145 CO 0.21 -0.19 0.00 0.66 0.00 0.00 0.00 179.25 179.93