#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 4.44 -0.13 3.17 0.05 -1.26 -4.98 135.00 136.29 2kfs s PRO 2 Ca 0.00 0.98 -0.20 0.00 0.05 0.00 0.00 61.00 61.83 2kfs s PRO 2 Cb 0.00 -3.32 -0.25 0.00 0.05 0.00 0.00 34.50 30.97 2kfs s PRO 2 CO 0.00 0.40 0.54 0.78 0.05 0.00 0.00 177.00 178.77 2kfs h GLY 3 N 5.26 0.16 -4.32 0.56 0.00 -1.96 -3.44 103.07 99.33 2kfs h GLY 3 Ca -0.45 -0.40 -0.53 0.00 0.00 0.00 0.00 47.33 45.95 2kfs h GLY 3 CO 0.69 0.35 0.54 1.09 0.00 0.00 0.00 176.54 179.21 2kfs s ARG 4 N -2.39 4.48 -0.30 4.80 1.70 -1.26 -4.06 118.95 121.92 2kfs s ARG 4 Ca -0.22 1.79 -0.09 0.00 -0.47 0.00 0.00 55.73 56.74 2kfs s ARG 4 Cb 0.03 -3.31 0.18 0.00 -0.57 0.00 0.00 34.95 31.29 2kfs s ARG 4 CO 0.71 -0.15 0.98 0.00 -1.08 0.00 0.00 175.30 175.76 2kfs s ALA 5 N 0.51 -3.63 -0.33 7.88 0.00 -1.26 -5.11 121.76 119.83 2kfs s ALA 5 Ca 0.55 1.35 -0.28 0.00 0.00 0.00 0.00 51.96 53.58 2kfs s ALA 5 Cb -0.30 -2.69 0.02 0.00 0.00 0.00 0.00 23.12 20.14 2kfs s ALA 5 CO 0.32 -1.87 1.05 -2.14 0.00 0.00 0.00 175.76 173.11 2kfs s PRO 6 N 2.94 4.03 0.00 0.00 0.02 -1.26 -4.93 135.00 135.80 2kfs s PRO 6 Ca 0.18 0.99 0.00 0.00 0.02 0.00 0.00 61.00 62.19 2kfs s PRO 6 Cb -0.05 -3.75 0.00 0.00 0.02 0.00 0.00 34.50 30.72 2kfs s PRO 6 CO -0.20 -0.90 0.00 0.41 -0.33 0.00 0.00 177.00 175.98 2kfs n GLY 7 N 3.96 4.81 3.58 0.52 0.00 -1.26 -5.08 105.19 111.73 2kfs n GLY 7 Ca 0.11 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 2kfs n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kfs s SER 8 N 1.03 5.75 -0.15 1.61 0.01 -1.26 -4.98 113.70 115.71 2kfs s SER 8 Ca 0.00 0.87 -0.11 0.00 1.31 0.00 0.00 55.95 58.03 2kfs s SER 8 Cb 0.00 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.65 2kfs s SER 8 CO 0.00 -1.90 0.20 -0.89 0.41 0.00 0.00 173.24 171.06 2kfs s THR 9 N 7.40 5.38 0.69 1.44 2.01 -1.26 -5.03 115.64 126.27 2kfs s THR 9 Ca 0.72 0.35 -0.06 0.00 0.31 0.00 0.00 61.69 63.01 2kfs s THR 9 Cb -0.17 -3.51 0.06 0.00 0.01 0.00 0.00 72.50 68.89 2kfs s THR 9 CO 0.29 0.49 0.99 -0.76 -0.69 0.00 0.00 174.62 174.94 2kfs s LEU 10 N -0.14 2.87 -0.44 4.42 1.43 -1.26 -4.99 118.68 120.57 2kfs s LEU 10 Ca 0.14 0.38 -0.28 0.00 -1.03 0.00 0.00 54.13 53.33 2kfs s LEU 10 Cb -0.12 -3.04 0.01 0.00 0.03 0.00 0.00 46.19 43.07 2kfs s LEU 10 CO 0.03 -1.58 1.48 0.00 0.23 0.00 0.00 176.35 176.51 2kfs s ALA 11 N -3.20 2.94 -1.12 4.21 0.00 -1.26 -4.91 121.76 118.42 2kfs s ALA 11 Ca 0.60 -0.22 -0.21 0.00 0.00 0.00 0.00 51.96 52.14 2kfs s ALA 11 Cb -0.10 -4.00 0.06 0.00 0.00 0.00 0.00 23.12 19.08 2kfs s ALA 11 CO 0.44 -2.59 1.54 1.03 0.00 0.00 0.00 175.76 176.19 2kfs s ARG 12 N 5.22 3.74 -0.72 0.00 0.52 -1.26 -4.69 118.95 121.77 2kfs s ARG 12 Ca 0.62 -1.47 0.05 0.00 -0.52 0.00 0.00 55.73 54.41 2kfs s ARG 12 Cb -0.14 -5.41 0.18 0.00 0.52 0.00 0.00 34.95 30.10 2kfs s ARG 12 CO 0.31 -2.21 0.53 0.28 0.02 0.00 0.00 175.30 174.23 2kfs n VAL 13 N 6.65 1.76 -1.05 3.52 0.31 -1.26 -4.61 118.33 123.64 2kfs n VAL 13 Ca 0.39 -4.91 -0.02 0.00 -0.01 0.00 0.00 64.34 59.79 2kfs n VAL 13 Cb 0.49 -2.19 -0.01 0.00 -0.91 0.00 0.00 33.84 31.22 2kfs n VAL 13 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kfs n GLY 14 N 1.90 0.52 3.73 2.92 0.00 -1.26 -5.00 105.19 107.99 2kfs n GLY 14 Ca 0.21 -0.93 -0.36 0.00 0.00 0.00 0.00 46.02 44.94 2kfs n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kfs s SER 15 N -2.91 6.35 -0.20 1.61 0.01 -1.26 -5.07 113.70 112.23 2kfs s SER 15 Ca 0.00 0.41 -0.13 0.00 1.31 0.00 0.00 55.95 57.53 2kfs s SER 15 Cb 0.00 -2.15 -0.04 0.00 0.21 0.00 0.00 66.02 64.03 2kfs s SER 15 CO 0.00 0.12 0.28 -0.63 0.41 0.00 0.00 173.24 173.42 2kfs s ILE 16 N 0.47 5.29 0.21 1.44 1.09 -1.26 -4.86 121.20 123.58 2kfs s ILE 16 Ca 0.14 0.47 -0.30 0.00 -1.10 0.00 0.00 60.65 59.86 2kfs s ILE 16 Cb -0.12 -3.62 -0.09 0.00 -1.06 0.00 0.00 42.46 37.57 2kfs s ILE 16 CO 0.02 0.32 1.34 -2.84 -0.10 0.00 0.00 174.94 173.68 2kfs s PRO 17 N 0.99 4.36 -0.01 2.79 0.02 -1.26 -5.02 135.00 136.87 2kfs s PRO 17 Ca 0.14 2.11 0.03 0.00 0.02 0.00 0.00 61.00 63.30 2kfs s PRO 17 Cb -0.14 -3.17 -0.01 0.00 0.02 0.00 0.00 34.50 31.20 2kfs s PRO 17 CO 0.05 -0.28 -0.11 0.00 -0.33 0.00 0.00 177.00 176.33 2kfs s ALA 18 N 0.06 0.96 0.00 -1.55 0.00 -1.26 -4.85 121.76 115.11 2kfs s ALA 18 Ca 0.57 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.05 2kfs s ALA 18 Cb -0.38 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.48 2kfs s ALA 18 CO 0.40 0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.79 2kfs n GLY 19 N 2.87 0.71 3.64 0.00 0.00 -1.26 -4.64 105.19 106.50 2kfs n GLY 19 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.00 4.81 -0.09 1.61 2.15 -1.26 -2.53 116.67 120.35 2kfs s ASP 20 Ca 0.00 -0.16 -0.30 0.00 0.43 0.00 0.00 52.55 52.52 2kfs s ASP 20 Cb 0.00 -1.13 -0.02 0.00 -0.30 0.00 0.00 42.92 41.47 2kfs s ASP 20 CO 0.00 0.24 1.07 -0.62 -0.17 0.00 0.00 175.17 175.69 2kfs s ASP 21 N -1.81 7.18 0.10 -0.34 2.15 -1.14 -4.58 116.67 118.22 2kfs s ASP 21 Ca 0.21 1.63 0.24 0.00 0.43 0.00 0.00 52.55 55.05 2kfs s ASP 21 Cb -0.11 -2.56 0.21 0.00 -0.30 0.00 0.00 42.92 40.16 2kfs s ASP 21 CO 0.12 -0.50 1.19 0.52 -0.17 0.00 0.00 175.17 176.33 2kfs n VAL 22 N 4.59 0.30 -2.24 1.11 0.31 -1.26 -4.95 118.33 116.19 2kfs n VAL 22 Ca 0.10 -0.28 -0.26 0.00 -0.01 0.00 0.00 64.34 63.89 2kfs n VAL 22 Cb 0.48 -0.01 0.11 0.00 -0.91 0.00 0.00 33.84 33.51 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 -4.18 2.84 -0.06 7.52 1.43 -1.26 -5.07 118.68 119.90 2kfs s LEU 23 Ca 0.05 0.17 -0.02 0.00 -1.03 0.00 0.00 54.13 53.30 2kfs s LEU 23 Cb 0.14 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 2kfs s LEU 23 CO 0.76 -1.98 0.04 -0.62 0.23 0.00 0.00 176.35 174.78 2kfs s ASP 24 N -4.68 5.51 0.57 2.29 2.15 -1.26 -5.02 116.67 116.23 2kfs s ASP 24 Ca 0.66 0.18 0.27 0.00 0.43 0.00 0.00 52.55 54.08 2kfs s ASP 24 Cb -0.07 -1.59 1.53 0.00 -0.30 0.00 0.00 42.92 42.49 2kfs s ASP 24 CO 0.47 0.34 2.03 -0.65 -0.17 0.00 0.00 175.17 177.19 2kfs h PRO 25 N 4.76 0.00 0.00 4.34 0.11 -2.01 -1.52 132.00 137.68 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 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2kfs h PRO 25 CO 0.57 0.00 -0.78 -3.47 -0.21 0.00 0.00 178.00 174.11 2kfs n ASP 26 N -3.97 0.63 -4.71 -2.05 2.03 -1.26 -4.77 116.55 102.45 2kfs n ASP 26 Ca 0.05 -0.14 -0.42 0.00 0.52 0.00 0.00 54.79 54.80 2kfs n ASP 26 Cb 0.46 0.48 -0.03 0.00 -0.72 0.00 0.00 41.12 41.31 2kfs n ASP 26 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2kfs s GLU 27 N -3.14 4.50 -0.36 -0.67 2.56 -0.57 -4.86 118.70 116.16 2kfs s GLU 27 Ca 0.06 1.55 -0.22 0.00 0.00 0.00 0.00 54.97 56.36 2kfs s GLU 27 Cb 0.15 -3.44 -0.11 0.00 2.00 0.00 0.00 34.13 32.73 2kfs s GLU 27 CO 0.76 -0.16 1.28 -2.30 -0.56 0.00 0.00 175.26 174.28 2kfs n PRO 28 N 4.07 0.00 -4.18 4.30 -0.02 -1.26 -4.78 135.00 133.13 2kfs n PRO 28 Ca 0.07 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.41 2kfs n PRO 28 Cb 0.49 -0.83 -0.11 0.00 -0.02 0.00 0.00 33.50 33.03 2kfs n PRO 28 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2kfs s THR 29 N 3.84 0.96 0.19 3.45 -4.23 -1.26 -0.70 115.64 117.89 2kfs s THR 29 Ca 0.69 -1.69 0.05 0.00 -1.18 0.00 0.00 61.69 59.57 2kfs s THR 29 Cb -0.79 -1.42 -0.05 0.00 1.34 0.00 0.00 72.50 71.59 2kfs s THR 29 CO 0.34 -0.58 -0.09 -0.31 -0.54 0.00 0.00 174.62 173.43 2kfs s TYR 30 N -2.55 1.51 0.28 3.99 2.02 0.80 -4.70 117.35 118.70 2kfs s TYR 30 Ca 0.07 -0.72 0.02 0.00 -0.37 0.00 0.00 57.07 56.06 2kfs s TYR 30 Cb -0.02 -0.78 -0.04 0.00 -0.40 0.00 0.00 41.96 40.72 2kfs s TYR 30 CO -0.00 0.16 0.13 0.16 -1.57 0.00 0.00 175.55 174.43 2kfs s ASP 31 N -3.26 1.34 0.13 2.29 -4.77 -1.26 -0.07 116.67 111.06 2kfs s ASP 31 Ca 0.22 -1.47 -0.28 0.00 -3.30 0.00 0.00 52.55 47.72 2kfs s ASP 31 Cb 0.02 0.28 -0.08 0.00 -1.09 0.00 0.00 42.92 42.05 2kfs s ASP 31 CO 0.05 -0.81 1.48 -0.07 0.70 0.00 0.00 175.17 176.52 2kfs h LEU 32 N 2.30 -1.79 -1.51 2.11 3.38 -1.98 0.55 115.31 118.38 2kfs h LEU 32 Ca -0.36 0.25 0.05 0.00 0.09 0.00 0.00 57.88 57.92 2kfs h LEU 32 Cb 1.25 0.76 -0.03 0.00 0.09 0.00 0.00 40.66 42.73 2kfs h LEU 32 CO 0.57 -0.28 0.40 1.55 0.09 0.00 0.00 178.44 180.76 2kfs h PRO 33 N -0.18 0.60 -0.22 1.13 0.13 -1.98 -1.16 132.00 130.32 2kfs h PRO 33 Ca 0.10 -0.04 -0.14 0.00 -0.87 0.00 0.00 66.00 65.05 2kfs h PRO 33 Cb 0.45 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.43 2kfs h PRO 33 CO -0.68 0.40 -0.46 0.00 -0.23 0.00 0.00 178.00 177.03 2kfs h ARG 34 N 0.62 0.57 -0.32 0.86 -0.00 -1.40 0.19 114.38 114.89 2kfs h ARG 34 Ca 0.25 -0.31 -0.13 0.00 -0.50 0.00 0.00 59.98 59.29 2kfs h ARG 34 Cb 0.22 0.02 -0.01 0.00 0.00 0.00 0.00 29.97 30.20 2kfs h ARG 34 CO -0.07 0.91 -0.31 0.28 0.00 0.00 0.00 179.97 180.78 2kfs h VAL 35 N 0.46 1.29 -0.87 2.04 2.07 -0.48 0.29 116.25 121.05 2kfs h VAL 35 Ca 0.03 -1.48 -0.02 0.00 0.82 0.00 0.00 66.70 66.06 2kfs h VAL 35 Cb 0.98 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 2kfs h VAL 35 CO 0.09 0.48 0.49 0.00 0.02 0.00 0.00 177.57 178.65 2kfs h ALA 36 N 0.73 1.21 -0.32 1.67 0.00 -1.03 0.72 119.26 122.24 2kfs h ALA 36 Ca 0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2kfs h ALA 36 Cb 0.89 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2kfs h ALA 36 CO 0.08 0.64 0.14 1.49 0.00 0.00 0.00 179.25 181.60 2kfs h GLU 37 N 1.22 0.47 -0.14 0.00 4.57 -0.42 0.03 114.58 120.31 2kfs h GLU 37 Ca 0.31 -0.08 -0.07 0.00 -1.18 0.00 0.00 59.36 58.34 2kfs h GLU 37 Cb 0.01 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.52 2kfs h GLU 37 CO -0.05 0.46 -0.18 1.25 -1.18 0.00 0.00 179.01 179.31 2kfs h LEU 38 N 0.38 0.40 0.00 1.64 5.85 -0.39 -3.20 115.31 119.98 2kfs h LEU 38 Ca 0.11 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.31 2kfs h LEU 38 Cb 0.15 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2kfs h LEU 38 CO -0.01 0.83 -0.43 -0.07 -0.34 0.00 0.00 178.44 178.43 2kfs h LEU 39 N -0.03 0.00 0.61 2.25 3.38 -0.91 -3.47 115.31 117.14 2kfs h LEU 39 Ca 0.02 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 2kfs h LEU 39 Cb 0.74 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2kfs h LEU 39 CO 0.04 0.01 -0.11 0.61 0.09 0.00 0.00 178.44 179.08 2kfs n GLY 40 N 1.17 0.21 3.40 0.83 0.00 -0.06 -5.05 105.19 105.70 2kfs n GLY 40 Ca 0.03 -0.71 -0.20 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.22 1.58 0.74 1.61 -7.23 -0.87 -5.04 120.40 108.96 2kfs s VAL 41 Ca 0.00 -2.12 -0.11 0.00 -1.81 0.00 0.00 61.98 57.93 2kfs s VAL 41 Cb 0.00 -2.38 0.03 0.00 0.56 0.00 0.00 36.38 34.59 2kfs s VAL 41 CO 0.00 -0.34 1.10 -2.84 -0.31 0.00 0.00 175.10 172.70 2kfs s PRO 42 N -3.73 2.57 0.36 4.82 0.02 -1.26 -4.42 135.00 133.35 2kfs s PRO 42 Ca 0.28 0.54 0.05 0.00 0.02 0.00 0.00 61.00 61.89 2kfs s PRO 42 Cb 0.03 -1.98 0.67 0.00 0.02 0.00 0.00 34.50 33.24 2kfs s PRO 42 CO 0.11 -1.26 1.94 0.28 -0.33 0.00 0.00 177.00 177.74 2kfs h VAL 43 N -0.82 1.17 -0.91 3.83 2.07 -1.94 -1.35 116.25 118.30 2kfs h VAL 43 Ca -0.46 -0.58 0.04 0.00 0.82 0.00 0.00 66.70 66.52 2kfs h VAL 43 Cb 1.26 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 31.73 2kfs h VAL 43 CO 0.62 0.21 0.60 0.28 0.02 0.00 0.00 177.57 179.30 2kfs h SER 44 N 0.55 0.98 -0.19 0.57 0.02 -1.98 0.24 113.55 113.75 2kfs h SER 44 Ca 0.13 -0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.93 2kfs h SER 44 Cb 0.19 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 2kfs h SER 44 CO -0.01 0.67 -0.38 0.50 -1.14 0.00 0.00 176.83 176.47 2kfs h LYS 45 N 1.14 0.72 -0.60 3.45 3.64 -1.63 -1.50 116.57 121.79 2kfs h LYS 45 Ca 0.36 -0.37 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 2kfs h LYS 45 Cb 0.02 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 2kfs h LYS 45 CO -0.11 0.98 0.20 0.28 -2.27 0.00 0.00 179.45 178.53 2kfs h VAL 46 N 0.59 1.24 -0.71 2.00 2.07 -1.00 -1.38 116.25 119.06 2kfs h VAL 46 Ca 0.05 -0.80 0.04 0.00 0.82 0.00 0.00 66.70 66.81 2kfs h VAL 46 Cb 0.92 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 2kfs h VAL 46 CO 0.08 0.31 0.47 0.00 0.02 0.00 0.00 177.57 178.45 2kfs h ALA 47 N 1.07 1.60 -0.21 1.67 0.00 -0.30 0.93 119.26 124.02 2kfs h ALA 47 Ca 0.20 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2kfs h ALA 47 Cb 0.27 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2kfs h ALA 47 CO -0.01 0.32 -0.02 1.96 0.00 0.00 0.00 179.25 181.50 2kfs h GLN 48 N 0.85 0.39 -0.44 0.00 4.20 -0.63 -1.10 115.11 118.38 2kfs h GLN 48 Ca 0.29 -0.13 0.02 0.00 0.06 0.00 0.00 58.65 58.88 2kfs h GLN 48 Cb 0.08 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 2kfs h GLN 48 CO -0.08 0.61 0.26 1.96 -0.67 0.00 0.00 178.83 180.91 2kfs h GLN 49 N 0.13 0.51 -0.66 1.46 4.20 -0.33 0.65 115.11 121.07 2kfs h GLN 49 Ca 0.06 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 2kfs h GLN 49 Cb 0.45 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 2kfs h GLN 49 CO 0.02 0.34 0.39 -0.07 -0.67 0.00 0.00 178.83 178.83 2kfs h LEU 50 N 0.53 0.81 -0.89 1.46 3.38 -0.82 0.12 115.31 119.89 2kfs h LEU 50 Ca 0.17 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 2kfs h LEU 50 Cb 0.00 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2kfs h LEU 50 CO -0.07 0.65 -0.51 0.03 0.09 0.00 0.00 178.44 178.63 2kfs h ARG 51 N 0.90 0.12 0.00 1.13 2.47 -0.63 -3.19 114.38 115.17 2kfs h ARG 51 Ca 0.24 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.89 2kfs h ARG 51 Cb -0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2kfs h ARG 51 CO -0.04 0.60 -0.69 0.39 0.56 0.00 0.00 179.97 180.79 2kfs n GLU 52 N -3.94 0.11 -1.08 0.04 1.02 0.17 -4.93 120.64 112.02 2kfs n GLU 52 Ca -0.02 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2kfs n GLU 52 Cb 0.53 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 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 1.45 1.07 0.04 0.62 0.00 -0.34 -4.97 105.19 103.06 2kfs n GLY 53 Ca 0.04 -0.35 0.06 0.00 0.00 0.00 0.00 46.02 45.77 2kfs n GLY 53 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kfs n HIS 54 N -1.60 0.09 -3.55 1.61 -0.00 0.26 -4.53 115.22 107.50 2kfs n HIS 54 Ca 0.00 0.03 -0.14 0.00 -0.00 0.00 0.00 57.72 57.61 2kfs n HIS 54 Cb 0.23 -0.65 -0.05 0.00 -0.00 0.00 0.00 29.99 29.52 2kfs n HIS 54 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 2kfs s LEU 55 N -4.82 -0.18 0.16 0.27 2.96 -1.19 -4.05 118.68 111.82 2kfs s LEU 55 Ca -0.08 0.18 0.03 0.00 -0.22 0.00 0.00 54.13 54.05 2kfs s LEU 55 Cb 0.12 2.22 -0.05 0.00 0.50 0.00 0.00 46.19 48.99 2kfs s LEU 55 CO 0.88 -0.75 -0.06 0.68 -1.32 0.00 0.00 176.35 175.78 2kfs s VAL 56 N -2.57 0.98 0.06 1.68 -7.23 -1.26 -3.76 120.40 108.31 2kfs s VAL 56 Ca -0.05 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.10 2kfs s VAL 56 Cb -0.01 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.95 2kfs s VAL 56 CO -0.03 -0.66 -0.04 0.00 -0.31 0.00 0.00 175.10 174.06 2kfs s ALA 57 N -3.45 0.64 0.27 1.32 0.00 -1.26 -4.71 121.76 114.57 2kfs s ALA 57 Ca 0.19 -1.18 0.05 0.00 0.00 0.00 0.00 51.96 51.02 2kfs s ALA 57 Cb 0.04 0.21 -0.06 0.00 0.00 0.00 0.00 23.12 23.32 2kfs s ALA 57 CO 0.01 -0.29 -0.02 0.14 0.00 0.00 0.00 175.76 175.61 2kfs s VAL 58 N -3.49 1.37 -0.10 0.00 -7.23 -0.17 -4.25 120.40 106.53 2kfs s VAL 58 Ca 0.06 -2.07 0.03 0.00 -1.81 0.00 0.00 61.98 58.19 2kfs s VAL 58 Cb 0.05 -2.47 0.01 0.00 0.56 0.00 0.00 36.38 34.52 2kfs s VAL 58 CO -0.07 -0.26 -0.21 -0.60 -0.31 0.00 0.00 175.10 173.65 2kfs s ARG 59 N -3.80 2.80 -0.05 4.82 3.52 -1.05 -0.60 118.95 124.59 2kfs s ARG 59 Ca 0.30 -0.79 -0.01 0.00 -0.13 0.00 0.00 55.73 55.11 2kfs s ARG 59 Cb 0.05 -2.18 0.03 0.00 -1.56 0.00 0.00 34.95 31.29 2kfs s ARG 59 CO 0.11 0.10 -0.00 -0.98 -0.81 0.00 0.00 175.30 173.72 2kfs s ARG 60 N 0.54 0.52 -1.94 5.12 1.70 0.88 -2.89 118.95 122.88 2kfs s ARG 60 Ca -0.15 0.08 0.00 0.00 -0.47 0.00 0.00 55.73 55.19 2kfs s ARG 60 Cb -0.17 -0.79 0.00 0.00 -0.57 0.00 0.00 34.95 33.42 2kfs s ARG 60 CO 0.05 -0.22 0.00 0.00 -1.08 0.00 0.00 175.30 174.05 2kfs n ALA 61 N 4.71 -0.49 -0.36 7.88 0.00 -1.26 -0.22 120.51 130.76 2kfs n ALA 61 Ca -0.15 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2kfs n ALA 61 Cb 0.50 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.84 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 -0.74 1.08 3.83 0.00 0.00 -1.26 -5.04 105.19 103.06 2kfs n GLY 62 Ca -0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.71 2.32 -0.24 -0.02 0.00 0.70 -5.06 107.32 103.31 2kfs s GLY 63 Ca 0.00 -0.41 -0.13 0.00 0.00 0.00 0.00 44.72 44.18 2kfs s GLY 63 CO 0.00 0.02 0.27 0.14 0.00 0.00 0.00 173.10 173.53 2kfs s VAL 64 N -0.76 5.27 0.08 1.40 1.01 -1.26 -0.08 120.40 126.05 2kfs s VAL 64 Ca 0.19 0.40 0.05 0.00 0.00 0.00 0.00 61.98 62.62 2kfs s VAL 64 Cb -0.14 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 2kfs s VAL 64 CO 0.08 0.27 -0.13 0.68 0.00 0.00 0.00 175.10 176.00 2kfs s VAL 65 N 1.42 1.07 -0.11 2.92 -7.23 0.23 -4.10 120.40 114.60 2kfs s VAL 65 Ca 0.12 -1.38 0.02 0.00 -1.81 0.00 0.00 61.98 58.93 2kfs s VAL 65 Cb -0.15 -1.13 0.01 0.00 0.56 0.00 0.00 36.38 35.68 2kfs s VAL 65 CO 0.07 -0.30 -0.16 -0.63 -0.31 0.00 0.00 175.10 173.77 2kfs s ILE 66 N -1.53 1.58 0.15 -0.62 1.01 0.90 -1.00 121.20 121.69 2kfs s ILE 66 Ca -0.00 -0.70 -0.33 0.00 0.00 0.00 0.00 60.65 59.62 2kfs s ILE 66 Cb -0.08 -1.44 -0.13 0.00 0.01 0.00 0.00 42.46 40.82 2kfs s ILE 66 CO 0.02 0.46 1.66 -2.65 0.00 0.00 0.00 174.94 174.42 2kfs n PRO 67 N 4.17 2.37 0.27 2.79 -0.02 -1.26 -0.14 135.00 143.17 2kfs n PRO 67 Ca -0.19 0.86 0.13 0.00 -2.02 0.00 0.00 63.50 62.27 2kfs n PRO 67 Cb 0.51 -2.66 0.74 0.00 -0.02 0.00 0.00 33.50 32.07 2kfs n PRO 67 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2kfs h GLN 68 N 6.57 0.00 0.00 -0.52 4.15 -1.19 -1.67 115.11 122.44 2kfs h GLN 68 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.97 2kfs h GLN 68 Cb 1.24 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.93 2kfs h GLN 68 CO 0.91 0.11 0.00 1.33 -1.93 0.00 0.00 178.83 179.25 2kfs n VAL 69 N -3.65 0.30 1.38 2.39 0.24 -1.26 -1.06 118.33 116.66 2kfs n VAL 69 Ca -0.02 0.07 0.14 0.00 -2.04 0.00 0.00 64.34 62.49 2kfs n VAL 69 Cb 0.23 -0.78 0.53 0.00 -1.47 0.00 0.00 33.84 32.34 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 -1.18 0.00 -4.33 6.34 3.01 -0.63 -4.79 117.46 115.88 2kfs n PHE 70 Ca 0.11 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.27 2kfs n PHE 70 Cb 0.12 -0.13 -0.12 0.00 -0.01 0.00 0.00 39.48 39.34 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 -2.41 2.47 0.81 1.38 0.40 -0.23 -1.22 117.98 119.18 2kfs s PHE 71 Ca 0.29 -0.30 -0.10 0.00 -0.60 0.00 0.00 56.93 56.22 2kfs s PHE 71 Cb 0.20 -1.31 0.11 0.00 0.51 0.00 0.00 43.02 42.53 2kfs s PHE 71 CO 0.47 0.39 1.15 0.95 0.70 0.00 0.00 175.22 178.87 2kfs s THR 72 N -1.18 2.10 0.00 0.64 -4.23 0.18 -4.77 115.64 108.39 2kfs s THR 72 Ca 0.17 -0.15 0.31 0.00 -1.18 0.00 0.00 61.69 60.84 2kfs s THR 72 Cb -0.10 -2.95 0.32 0.00 1.34 0.00 0.00 72.50 71.11 2kfs s THR 72 CO 0.09 0.00 1.92 -0.55 -0.54 0.00 0.00 174.62 175.55 2kfs h ASN 73 N -1.02 0.00 0.37 3.99 -1.07 -1.93 -0.19 115.58 115.74 2kfs h ASN 73 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.93 2kfs h ASN 73 Cb 1.29 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.54 2kfs h ASN 73 CO 0.54 0.00 -0.02 -1.20 0.07 0.00 0.00 177.43 176.81 2kfs n SER 74 N -2.65 0.14 0.00 6.14 7.64 -1.26 -4.90 113.62 118.73 2kfs n SER 74 Ca -0.00 -0.49 0.00 0.00 1.01 0.00 0.00 58.87 59.39 2kfs n SER 74 Cb 0.16 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 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 1.21 0.42 3.29 0.23 0.00 -0.08 -5.05 105.19 105.21 2kfs n GLY 75 Ca 0.17 -0.97 -0.20 0.00 0.00 0.00 0.00 46.02 45.02 2kfs n GLY 75 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kfs s GLN 76 N -2.65 1.15 0.43 1.61 -0.21 -1.25 -4.49 119.66 114.24 2kfs s GLN 76 Ca 0.00 -1.32 -0.26 0.00 0.02 0.00 0.00 55.36 53.81 2kfs s GLN 76 Cb 0.00 -1.13 -0.08 0.00 1.00 0.00 0.00 33.01 32.80 2kfs s GLN 76 CO 0.00 0.23 1.38 0.08 -2.12 0.00 0.00 175.29 174.85 2kfs s VAL 77 N -2.06 2.28 0.23 1.09 1.01 -1.26 0.52 120.40 122.21 2kfs s VAL 77 Ca 0.12 0.25 -0.31 0.00 0.00 0.00 0.00 61.98 62.04 2kfs s VAL 77 Cb -0.05 -3.15 -0.14 0.00 0.00 0.00 0.00 36.38 33.04 2kfs s VAL 77 CO 0.05 0.04 1.34 0.52 0.00 0.00 0.00 175.10 177.04 2kfs n VAL 78 N -0.07 1.02 -0.25 2.92 0.31 -0.36 -4.67 118.33 117.22 2kfs n VAL 78 Ca 0.05 -0.25 0.02 0.00 -0.01 0.00 0.00 64.34 64.14 2kfs n VAL 78 Cb 0.42 -1.33 0.14 0.00 -0.91 0.00 0.00 33.84 32.16 2kfs n VAL 78 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2kfs h LYS 79 N 3.89 0.63 -0.62 5.55 3.64 -1.92 -1.34 116.57 126.40 2kfs h LYS 79 Ca -0.44 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2kfs h LYS 79 Cb 1.29 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2kfs h LYS 79 CO 0.73 0.42 0.00 -1.13 -2.27 0.00 0.00 179.45 177.20 2kfs n SER 80 N -4.83 5.18 0.14 4.20 3.41 -1.26 -4.49 113.62 115.96 2kfs n SER 80 Ca 0.11 -2.73 -0.14 0.00 -0.26 0.00 0.00 58.87 55.85 2kfs n SER 80 Cb 0.27 -0.64 -0.08 0.00 -0.26 0.00 0.00 64.21 63.50 2kfs n SER 80 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2kfs h LEU 81 N 3.81 -0.23 -2.20 1.04 7.12 -1.58 -2.57 115.31 120.69 2kfs h LEU 81 Ca 0.00 -0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.00 2kfs h LEU 81 Cb 1.74 0.06 -0.00 0.00 -0.53 0.00 0.00 40.66 41.93 2kfs h LEU 81 CO 0.39 -0.14 0.01 1.55 -0.13 0.00 0.00 178.44 180.12 2kfs h PRO 82 N -0.31 0.00 -0.36 5.25 0.13 -1.79 -2.38 132.00 132.54 2kfs h PRO 82 Ca -0.03 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.06 2kfs h PRO 82 Cb 0.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.35 2kfs h PRO 82 CO 0.05 0.00 0.04 0.78 -0.23 0.00 0.00 178.00 178.64 2kfs h GLY 83 N 0.00 0.65 1.11 1.56 0.00 -1.77 0.14 103.07 104.77 2kfs h GLY 83 Ca 0.01 -0.45 -0.13 0.00 0.00 0.00 0.00 47.33 46.75 2kfs h GLY 83 CO -0.00 0.41 -0.22 0.17 0.00 0.00 0.00 176.54 176.91 2kfs h LEU 84 N 0.44 1.03 -1.05 3.11 8.10 -1.18 -2.66 115.31 123.10 2kfs h LEU 84 Ca 0.11 -0.40 -0.06 0.00 0.11 0.00 0.00 57.88 57.64 2kfs h LEU 84 Cb 0.38 -0.29 -0.02 0.00 -0.44 0.00 0.00 40.66 40.30 2kfs h LEU 84 CO 0.01 1.20 0.05 -0.07 -4.11 0.00 0.00 178.44 175.52 2kfs h LEU 85 N 0.87 0.69 -0.21 0.17 3.38 -1.26 -2.40 115.31 116.54 2kfs h LEU 85 Ca 0.11 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2kfs h LEU 85 Cb 0.80 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2kfs h LEU 85 CO 0.07 0.73 0.12 0.74 0.09 0.00 0.00 178.44 180.19 2kfs h THR 86 N 0.70 1.09 -0.39 0.22 2.02 -0.40 0.31 112.91 116.45 2kfs h THR 86 Ca 0.15 -0.22 -0.09 0.00 0.77 0.00 0.00 66.41 67.02 2kfs h THR 86 Cb 0.36 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 2kfs h THR 86 CO 0.01 0.08 -0.11 -0.29 0.37 0.00 0.00 175.52 175.58 2kfs h ILE 87 N 0.25 1.28 -0.32 3.11 -0.00 -1.35 -2.34 117.51 118.14 2kfs h ILE 87 Ca 0.07 -1.21 -0.10 0.00 -0.00 0.00 0.00 64.86 63.63 2kfs h ILE 87 Cb 0.03 1.25 -0.01 0.00 -0.00 0.00 0.00 36.82 38.08 2kfs h ILE 87 CO -0.01 0.40 -0.21 -0.07 -0.00 0.00 0.00 178.15 178.27 2kfs h LEU 88 N 0.58 0.59 -1.32 2.19 -0.00 -1.30 -2.74 115.31 113.31 2kfs h LEU 88 Ca 0.10 -0.19 -0.05 0.00 -0.00 0.00 0.00 57.88 57.74 2kfs h LEU 88 Cb 0.64 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 41.13 2kfs h LEU 88 CO 0.04 0.80 -0.04 -0.74 -0.00 0.00 0.00 178.44 178.50 2kfs h HIS 89 N 0.53 0.42 -0.06 1.13 2.76 -0.20 -1.24 115.15 118.49 2kfs h HIS 89 Ca 0.08 -0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.13 2kfs h HIS 89 Cb 0.65 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.47 2kfs h HIS 89 CO 0.03 0.46 -0.35 0.22 -1.30 0.00 0.00 177.93 176.98 2kfs h ASP 90 N 0.39 0.12 0.69 3.26 1.82 -1.12 -1.70 116.42 119.88 2kfs h ASP 90 Ca 0.08 -0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.68 2kfs h ASP 90 Cb 0.33 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.30 2kfs h ASP 90 CO 0.01 0.47 -0.23 0.61 -1.61 0.00 0.00 179.24 178.50 2kfs n GLY 91 N -0.42 -1.31 1.48 -0.78 0.00 -0.65 -4.95 105.19 98.57 2kfs n GLY 91 Ca -0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 46.02 45.76 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 1.47 0.57 3.46 -0.02 0.00 -0.56 -5.07 105.19 105.05 2kfs n GLY 92 Ca 0.07 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.04 2.75 0.69 1.61 2.02 -0.76 -5.01 117.35 115.61 2kfs s TYR 93 Ca 0.02 -0.24 -0.04 0.00 -0.37 0.00 0.00 57.07 56.44 2kfs s TYR 93 Cb -0.00 -1.68 0.08 0.00 -0.40 0.00 0.00 41.96 39.95 2kfs s TYR 93 CO 0.07 0.12 0.98 -0.98 -1.57 0.00 0.00 175.55 174.17 2kfs s ARG 94 N -0.50 2.03 0.22 -0.62 1.70 -1.26 -4.60 118.95 115.92 2kfs s ARG 94 Ca 0.07 -0.56 -0.08 0.00 -0.47 0.00 0.00 55.73 54.69 2kfs s ARG 94 Cb -0.12 -2.25 0.32 0.00 -0.57 0.00 0.00 34.95 32.34 2kfs s ARG 94 CO 0.02 -1.26 1.75 0.38 -1.08 0.00 0.00 175.30 175.10 2kfs h ASP 95 N -0.52 0.29 -0.84 -2.89 2.03 -1.92 -0.92 116.42 111.64 2kfs h ASP 95 Ca -0.42 0.08 0.01 0.00 -0.73 0.00 0.00 57.03 55.96 2kfs h ASP 95 Cb 1.29 0.05 -0.04 0.00 -0.83 0.00 0.00 39.33 39.80 2kfs h ASP 95 CO 0.52 0.16 0.55 0.74 -1.03 0.00 0.00 179.24 180.19 2kfs h THR 96 N 0.46 1.22 -0.50 1.15 2.02 -1.81 -1.26 112.91 114.20 2kfs h THR 96 Ca 0.34 -0.41 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 2kfs h THR 96 Cb 0.42 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 2kfs h THR 96 CO -0.32 0.21 0.20 -0.33 0.37 0.00 0.00 175.52 175.66 2kfs h GLU 97 N 1.15 0.74 -0.18 6.66 4.39 -1.35 0.22 114.58 126.21 2kfs h GLU 97 Ca 0.31 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.87 2kfs h GLU 97 Cb -0.12 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.40 2kfs h GLU 97 CO -0.07 0.66 0.10 0.82 -1.16 0.00 0.00 179.01 179.37 2kfs h ILE 98 N 0.66 1.09 0.00 3.13 1.08 -0.63 -2.09 117.51 120.75 2kfs h ILE 98 Ca 0.17 -0.22 -0.01 0.00 -0.39 0.00 0.00 64.86 64.40 2kfs h ILE 98 Cb 0.19 0.92 -0.00 0.00 -3.07 0.00 0.00 36.82 34.86 2kfs h ILE 98 CO -0.01 0.08 -0.07 0.24 -0.69 0.00 0.00 178.15 177.70 2kfs h MET 99 N 0.20 0.00 0.30 2.37 2.86 -1.15 -2.98 114.93 116.53 2kfs h MET 99 Ca 0.06 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 2kfs h MET 99 Cb 0.04 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.70 2kfs h MET 99 CO -0.01 0.07 -0.21 -0.09 1.06 0.00 0.00 176.91 177.73 2kfs h ARG 100 N 0.00 -0.47 -0.14 1.72 2.43 -0.22 -1.82 114.38 115.89 2kfs h ARG 100 Ca -0.00 0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.09 2kfs h ARG 100 Cb 0.79 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.43 2kfs h ARG 100 CO 0.01 -0.31 -0.41 0.11 -1.51 0.00 0.00 179.97 177.86 2kfs h TRP 101 N -0.49 0.36 -0.97 2.20 5.08 -1.64 -2.93 115.95 117.57 2kfs h TRP 101 Ca -0.04 -0.10 0.06 0.00 1.08 0.00 0.00 58.89 59.90 2kfs h TRP 101 Cb 0.40 -0.08 -0.07 0.00 -3.00 0.00 0.00 29.16 26.41 2kfs h TRP 101 CO -0.02 0.67 0.62 -0.07 -1.28 0.00 0.00 178.44 178.35 2kfs h LEU 102 N 0.25 0.99 -2.07 0.11 3.38 -1.44 -2.10 115.31 114.43 2kfs h LEU 102 Ca 0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2kfs h LEU 102 Cb 0.83 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2kfs h LEU 102 CO 0.07 0.63 0.00 0.49 0.09 0.00 0.00 178.44 179.71 2kfs n PHE 103 N -4.53 0.32 -3.00 1.13 3.72 -0.69 -2.62 117.46 111.78 2kfs n PHE 103 Ca 0.15 -0.16 -0.41 0.00 -0.05 0.00 0.00 57.45 56.97 2kfs n PHE 103 Cb 0.18 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.67 2kfs n PHE 103 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2kfs s THR 104 N -1.68 4.90 0.16 4.37 2.01 -0.79 -4.90 115.64 119.71 2kfs s THR 104 Ca 0.35 1.30 -0.32 0.00 0.31 0.00 0.00 61.69 63.34 2kfs s THR 104 Cb 0.22 -4.03 -0.10 0.00 0.01 0.00 0.00 72.50 68.59 2kfs s THR 104 CO 0.31 -0.05 1.65 -2.84 -0.69 0.00 0.00 174.62 173.00 2kfs s PRO 105 N 2.70 4.18 -0.26 4.92 0.02 -1.26 -4.34 135.00 140.96 2kfs s PRO 105 Ca 0.30 2.46 -0.11 0.00 0.02 0.00 0.00 61.00 63.67 2kfs s PRO 105 Cb -0.15 -3.24 -0.05 0.00 0.02 0.00 0.00 34.50 31.08 2kfs s PRO 105 CO 0.09 -0.69 0.17 0.34 -0.33 0.00 0.00 177.00 176.58 2kfs s ASP 106 N 1.49 6.07 0.63 2.53 2.15 0.14 -4.87 116.67 124.81 2kfs s ASP 106 Ca 0.73 0.05 0.42 0.00 0.43 0.00 0.00 52.55 54.19 2kfs s ASP 106 Cb -0.45 -2.11 2.30 0.00 -0.30 0.00 0.00 42.92 42.35 2kfs s ASP 106 CO 0.32 0.01 2.30 1.55 -0.17 0.00 0.00 175.17 179.18 2kfs h PRO 107 N 7.93 0.00 -0.19 4.34 0.13 -1.90 -0.72 132.00 141.60 2kfs h PRO 107 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2kfs h PRO 107 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kfs h PRO 107 CO 0.60 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.24 2kfs n SER 108 N -3.01 2.63 -4.67 1.44 3.41 -1.26 -4.66 113.62 107.50 2kfs n SER 108 Ca -0.03 -1.77 -0.35 0.00 -0.26 0.00 0.00 58.87 56.47 2kfs n SER 108 Cb 0.08 -0.12 -0.09 0.00 -0.26 0.00 0.00 64.21 63.82 2kfs n SER 108 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2kfs s LEU 109 N -1.15 3.94 -0.12 1.04 2.96 -0.28 -4.99 118.68 120.09 2kfs s LEU 109 Ca 0.23 0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 54.27 2kfs s LEU 109 Cb 0.14 -2.00 0.03 0.00 0.50 0.00 0.00 46.19 44.86 2kfs s LEU 109 CO 0.20 0.19 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.48 2kfs s THR 110 N 0.28 0.84 0.15 3.68 2.01 -1.26 -0.30 115.64 121.04 2kfs s THR 110 Ca 0.05 -0.25 0.01 0.00 0.31 0.00 0.00 61.69 61.81 2kfs s THR 110 Cb -0.12 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.39 2kfs s THR 110 CO -0.00 0.27 -0.00 0.27 -0.69 0.00 0.00 174.62 174.46 2kfs s ILE 111 N 1.77 0.56 0.26 1.82 -4.36 0.07 -4.83 121.20 116.49 2kfs s ILE 111 Ca 0.04 -1.95 0.08 0.00 -0.26 0.00 0.00 60.65 58.56 2kfs s ILE 111 Cb -0.13 -2.01 -0.04 0.00 1.25 0.00 0.00 42.46 41.53 2kfs s ILE 111 CO -0.07 -0.56 0.10 0.42 0.24 0.00 0.00 174.94 175.06 2kfs s THR 112 N -3.73 3.95 0.15 8.37 -4.23 -1.26 0.52 115.64 119.41 2kfs s THR 112 Ca 0.21 -1.65 0.02 0.00 -1.18 0.00 0.00 61.69 59.08 2kfs s THR 112 Cb 0.06 -3.13 -0.01 0.00 1.34 0.00 0.00 72.50 70.77 2kfs s THR 112 CO 0.01 -0.36 0.06 -2.11 -0.54 0.00 0.00 174.62 171.69 2kfs n ARG 113 N -1.03 0.71 -3.32 3.99 1.85 -1.19 -4.71 116.66 112.95 2kfs n ARG 113 Ca -0.07 -1.27 -0.32 0.00 -1.00 0.00 0.00 57.85 55.19 2kfs n ARG 113 Cb 0.58 0.74 -0.06 0.00 -1.05 0.00 0.00 32.46 32.68 2kfs n ARG 113 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 177.63 177.78 2kfs s ASP 114 N -1.92 6.67 0.00 2.89 1.47 -1.26 -3.97 116.67 120.56 2kfs s ASP 114 Ca 0.09 1.04 0.00 0.00 1.18 0.00 0.00 52.55 54.85 2kfs s ASP 114 Cb 0.00 -2.27 0.00 0.00 -0.34 0.00 0.00 42.92 40.31 2kfs s ASP 114 CO 0.06 -0.12 0.00 0.61 0.68 0.00 0.00 175.17 176.40 2kfs n GLY 115 N -0.22 2.08 3.36 2.12 0.00 -1.26 -4.73 105.19 106.53 2kfs n GLY 115 Ca 0.01 -0.23 -0.45 0.00 0.00 0.00 0.00 46.02 45.35 2kfs n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kfs s SER 116 N 0.00 6.18 0.00 1.61 1.04 -1.26 -4.89 113.70 116.38 2kfs s SER 116 Ca 0.00 -1.52 0.22 0.00 0.48 0.00 0.00 55.95 55.13 2kfs s SER 116 Cb 0.00 -2.24 0.80 0.00 0.10 0.00 0.00 66.02 64.68 2kfs s SER 116 CO 0.00 -0.88 1.58 -2.11 0.98 0.00 0.00 173.24 172.80 2kfs n ARG 117 N 5.61 1.72 -2.45 4.02 0.00 -1.25 -3.18 116.66 121.12 2kfs n ARG 117 Ca -0.12 -1.07 -0.39 0.00 -0.00 0.00 0.00 57.85 56.27 2kfs n ARG 117 Cb 0.42 -1.41 -0.04 0.00 -0.00 0.00 0.00 32.46 31.43 2kfs n ARG 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2kfs s ASP 118 N -1.63 7.00 -0.16 2.89 1.01 -1.26 -4.70 116.67 119.81 2kfs s ASP 118 Ca 0.33 2.24 -0.28 0.00 0.71 0.00 0.00 52.55 55.56 2kfs s ASP 118 Cb 0.18 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.49 2kfs s ASP 118 CO 0.27 -0.33 0.94 0.00 0.21 0.00 0.00 175.17 176.25 2kfs s ALA 119 N -1.33 3.51 -0.18 5.23 0.00 -1.26 -4.40 121.76 123.33 2kfs s ALA 119 Ca 0.50 0.19 -0.13 0.00 0.00 0.00 0.00 51.96 52.51 2kfs s ALA 119 Cb -0.30 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.41 2kfs s ALA 119 CO 0.38 -0.71 0.28 0.08 0.00 0.00 0.00 175.76 175.79 2kfs s VAL 120 N 2.29 5.30 0.45 0.00 1.01 0.18 -4.75 120.40 124.89 2kfs s VAL 120 Ca 0.43 0.51 -0.14 0.00 0.00 0.00 0.00 61.98 62.78 2kfs s VAL 120 Cb -0.17 -3.62 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 2kfs s VAL 120 CO 0.13 0.36 0.87 -0.94 0.00 0.00 0.00 175.10 175.53 2kfs s SER 121 N 0.62 6.58 -1.18 3.32 1.04 -1.26 -0.75 113.70 122.06 2kfs s SER 121 Ca 0.15 1.35 -0.07 0.00 0.48 0.00 0.00 55.95 57.86 2kfs s SER 121 Cb -0.13 -2.41 0.01 0.00 0.10 0.00 0.00 66.02 63.58 2kfs s SER 121 CO 0.04 -0.48 1.03 0.59 0.98 0.00 0.00 173.24 175.40 2kfs n ASN 122 N -1.40 -5.56 -5.01 7.02 3.02 0.59 -4.95 115.26 108.96 2kfs n ASN 122 Ca 0.04 -0.48 -0.19 0.00 -0.03 0.00 0.00 54.58 53.93 2kfs n ASN 122 Cb 0.54 -4.49 0.03 0.00 -0.61 0.00 0.00 39.78 35.25 2kfs n ASN 122 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kfs s ALA 123 N -3.28 4.59 -0.04 5.41 0.00 -1.22 -4.32 121.76 122.90 2kfs s ALA 123 Ca 0.48 -1.89 -0.03 0.00 0.00 0.00 0.00 51.96 50.52 2kfs s ALA 123 Cb -0.21 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 2kfs s ALA 123 CO 0.64 -0.56 0.11 -0.98 0.00 0.00 0.00 175.76 174.97 2kfs s ARG 124 N -4.49 3.23 0.61 0.00 1.70 -1.26 -0.68 118.95 118.05 2kfs s ARG 124 Ca 0.57 -0.36 0.29 0.00 -0.47 0.00 0.00 55.73 55.76 2kfs s ARG 124 Cb -0.07 -2.98 1.55 0.00 -0.57 0.00 0.00 34.95 32.87 2kfs s ARG 124 CO 0.35 0.69 1.94 -1.35 -1.08 0.00 0.00 175.30 175.85 2kfs h PRO 125 N 4.35 0.00 -0.97 3.89 0.11 -1.73 -1.23 132.00 136.43 2kfs h PRO 125 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2kfs h PRO 125 Cb 1.20 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 2kfs h PRO 125 CO 0.62 0.00 0.62 0.28 -0.21 0.00 0.00 178.00 179.31 2kfs h VAL 126 N 0.00 1.26 -0.02 3.15 2.07 -1.85 -1.48 116.25 119.38 2kfs h VAL 126 Ca 0.14 -0.51 -0.11 0.00 0.82 0.00 0.00 66.70 67.04 2kfs h VAL 126 Cb 0.93 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 2kfs h VAL 126 CO -0.00 0.26 -0.51 0.44 0.02 0.00 0.00 177.57 177.78 2kfs h ASP 127 N 1.32 0.05 -0.34 0.57 5.19 -1.53 -2.96 116.42 118.73 2kfs h ASP 127 Ca 0.35 -0.02 -0.15 0.00 -0.62 0.00 0.00 57.03 56.59 2kfs h ASP 127 Cb -0.11 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.38 2kfs h ASP 127 CO -0.07 0.55 -0.36 0.00 -3.12 0.00 0.00 179.24 176.23 2kfs h ALA 128 N 1.46 0.65 -0.37 3.45 0.00 -1.29 -2.81 119.26 120.35 2kfs h ALA 128 Ca -0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 2kfs h ALA 128 Cb 0.91 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2kfs h ALA 128 CO 0.07 0.67 -0.16 1.37 0.00 0.00 0.00 179.25 181.20 2kfs h LEU 129 N 0.73 0.66 -1.40 0.00 8.10 -1.17 0.32 115.31 122.55 2kfs h LEU 129 Ca 0.07 -0.21 -0.06 0.00 0.11 0.00 0.00 57.88 57.79 2kfs h LEU 129 Cb 0.94 -0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 40.97 2kfs h LEU 129 CO 0.09 0.84 -0.30 0.45 -4.11 0.00 0.00 178.44 175.40 2kfs h HIS 130 N 0.60 0.00 -0.02 0.17 3.86 -1.52 -1.79 115.15 116.46 2kfs h HIS 130 Ca 0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 2kfs h HIS 130 Cb 0.61 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.08 2kfs h HIS 130 CO 0.03 0.30 0.00 0.00 0.86 0.00 0.00 177.93 179.12 2kfs n ALA 131 N -2.44 2.62 -2.20 2.45 0.00 -0.62 -4.88 120.51 115.43 2kfs n ALA 131 Ca -0.02 -0.35 -0.16 0.00 0.00 0.00 0.00 53.44 52.91 2kfs n ALA 131 Cb 0.36 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.49 2kfs n ALA 131 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2kfs n HIS 132 N -0.29 -0.67 -0.56 0.00 -0.00 -0.67 -4.86 115.22 108.16 2kfs n HIS 132 Ca 0.21 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.32 2kfs n HIS 132 Cb 0.25 -3.25 0.22 0.00 -0.12 0.00 0.00 29.99 27.09 2kfs n HIS 132 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 2kfs n GLN 133 N -2.56 2.93 -0.02 1.57 6.02 0.10 -4.54 117.38 120.89 2kfs n GLN 133 Ca -0.19 -2.32 0.22 0.00 -0.01 0.00 0.00 57.00 54.69 2kfs n GLN 133 Cb 0.63 -1.98 0.71 0.00 1.02 0.00 0.00 30.24 30.62 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 2.36 2.50 -0.59 -1.58 0.00 -1.82 -1.13 119.26 119.00 2kfs h ALA 134 Ca 0.25 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 2kfs h ALA 134 Cb 2.03 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.84 2kfs h ALA 134 CO 0.61 -0.73 0.17 0.00 0.00 0.00 0.00 179.25 179.30 2kfs h ARG 135 N 0.00 0.90 -0.60 0.00 2.47 -1.94 0.25 114.38 115.46 2kfs h ARG 135 Ca 0.27 -0.18 -0.03 0.00 -1.26 0.00 0.00 59.98 58.78 2kfs h ARG 135 Cb 1.13 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 29.29 2kfs h ARG 135 CO -0.00 0.79 0.24 0.93 0.56 0.00 0.00 179.97 182.49 2kfs h GLU 136 N 0.87 0.90 -0.15 0.04 3.07 -1.58 -1.39 114.58 116.33 2kfs h GLU 136 Ca 0.19 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.36 58.88 2kfs h GLU 136 Cb 0.28 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 2kfs h GLU 136 CO -0.01 0.76 0.04 0.28 -1.40 0.00 0.00 179.01 178.69 2kfs h VAL 137 N 0.83 1.20 -0.54 3.13 2.07 -1.13 -2.48 116.25 119.32 2kfs h VAL 137 Ca 0.20 -0.61 0.01 0.00 0.82 0.00 0.00 66.70 67.12 2kfs h VAL 137 Cb 0.20 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 2kfs h VAL 137 CO -0.02 0.18 0.34 0.58 0.02 0.00 0.00 177.57 178.68 2kfs h VAL 138 N 0.05 1.10 -0.65 2.57 2.07 -0.38 0.14 116.25 121.16 2kfs h VAL 138 Ca 0.05 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 2kfs h VAL 138 Cb 0.25 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 2kfs h VAL 138 CO -0.00 0.13 0.20 0.08 0.02 0.00 0.00 177.57 178.00 2kfs h ARG 139 N 0.69 1.00 -0.29 1.57 0.11 -1.20 0.20 114.38 116.47 2kfs h ARG 139 Ca 0.21 -0.20 -0.13 0.00 0.10 0.00 0.00 59.98 59.96 2kfs h ARG 139 Cb -0.03 -0.15 -0.01 0.00 1.11 0.00 0.00 29.97 30.88 2kfs h ARG 139 CO -0.07 0.86 -0.35 0.00 0.10 0.00 0.00 179.97 180.50 2kfs h ARG 140 N 0.96 0.64 -0.53 0.08 2.47 -0.95 -1.77 114.38 115.28 2kfs h ARG 140 Ca 0.21 -0.30 -0.02 0.00 -1.26 0.00 0.00 59.98 58.61 2kfs h ARG 140 Cb 0.28 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.57 2kfs h ARG 140 CO -0.01 0.90 0.25 0.00 0.56 0.00 0.00 179.97 181.67 2kfs h ALA 141 N 1.07 0.68 -0.72 0.04 0.00 0.04 -1.26 119.26 119.11 2kfs h ALA 141 Ca 0.05 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2kfs h ALA 141 Cb 0.86 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 2kfs h ALA 141 CO 0.07 0.24 0.47 1.96 0.00 0.00 0.00 179.25 182.00 2kfs h GLN 142 N 0.71 0.93 0.00 0.00 4.20 -0.41 0.96 115.11 121.50 2kfs h GLN 142 Ca 0.18 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.79 2kfs h GLN 142 Cb 0.12 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 2kfs h GLN 142 CO -0.02 0.62 -0.23 0.00 -0.67 0.00 0.00 178.83 178.53 2kfs h ALA 143 N 1.27 1.22 0.23 3.87 0.00 -0.96 0.27 119.26 125.16 2kfs h ALA 143 Ca 0.27 -0.21 -0.34 0.00 0.00 0.00 0.00 54.91 54.63 2kfs h ALA 143 Cb -0.09 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 17.69 2kfs h ALA 143 CO -0.07 0.29 -1.59 1.98 0.00 0.00 0.00 179.25 179.86 2kfs h MET 144 N 0.00 0.48 0.22 0.00 1.85 -0.45 -3.37 114.93 113.66 2kfs h MET 144 Ca -0.00 -0.82 -0.32 0.00 -0.61 0.00 0.00 59.70 57.95 2kfs h MET 144 Cb 0.56 0.30 0.03 0.00 0.43 0.00 0.00 31.60 32.92 2kfs h MET 144 CO 0.03 1.39 -1.46 0.00 -0.40 0.00 0.00 176.91 176.46 2kfs h ALA 145 N 0.16 -0.07 -0.01 0.39 0.00 -0.59 -3.51 119.26 115.62 2kfs h ALA 145 Ca -0.29 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 53.71 2kfs h ALA 145 Cb 2.14 0.25 0.00 0.00 0.00 0.00 0.00 17.79 20.18 2kfs h ALA 145 CO 0.24 0.73 0.00 0.66 0.00 0.00 0.00 179.25 180.88