#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 4.52 -0.71 2.12 0.04 -1.26 -4.98 135.00 134.74 2kfs s PRO 2 Ca 0.00 1.24 -0.26 0.00 0.04 0.00 0.00 61.00 62.02 2kfs s PRO 2 Cb 0.00 -3.45 -0.00 0.00 0.04 0.00 0.00 34.50 31.09 2kfs s PRO 2 CO 0.00 -0.00 1.64 0.20 0.04 0.00 0.00 177.00 178.88 2kfs s GLY 3 N 0.90 0.50 0.37 0.56 0.00 -1.26 -4.95 107.32 103.44 2kfs s GLY 3 Ca 0.47 -1.07 -0.26 0.00 0.00 0.00 0.00 44.72 43.86 2kfs s GLY 3 CO 0.25 3.11 1.10 0.50 0.00 0.00 0.00 173.10 178.06 2kfs s ARG 4 N 6.47 4.26 -0.39 2.90 0.52 -1.26 -5.01 118.95 126.43 2kfs s ARG 4 Ca 0.55 1.69 0.05 0.00 -0.52 0.00 0.00 55.73 57.50 2kfs s ARG 4 Cb -0.10 -2.76 0.17 0.00 0.52 0.00 0.00 34.95 32.78 2kfs s ARG 4 CO 0.15 -0.10 0.48 0.00 0.02 0.00 0.00 175.30 175.85 2kfs s ALA 5 N -1.45 -1.13 -0.62 2.13 0.00 -1.26 -5.10 121.76 114.32 2kfs s ALA 5 Ca 0.54 -0.59 -0.26 0.00 0.00 0.00 0.00 51.96 51.65 2kfs s ALA 5 Cb -0.27 -2.32 -0.05 0.00 0.00 0.00 0.00 23.12 20.48 2kfs s ALA 5 CO 0.35 -2.18 2.12 -2.14 0.00 0.00 0.00 175.76 173.91 2kfs s PRO 6 N 1.50 2.32 0.00 0.00 0.02 -1.26 -4.40 135.00 133.18 2kfs s PRO 6 Ca 0.18 0.77 0.00 0.00 0.02 0.00 0.00 61.00 61.97 2kfs s PRO 6 Cb -0.10 -4.58 0.00 0.00 0.02 0.00 0.00 34.50 29.84 2kfs s PRO 6 CO -0.04 -3.18 0.00 0.41 -0.33 0.00 0.00 177.00 173.85 2kfs n GLY 7 N 6.06 -0.09 3.55 0.52 0.00 -1.26 -4.89 105.19 109.08 2kfs n GLY 7 Ca 0.31 -0.96 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 2kfs n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kfs s SER 8 N 0.00 5.88 0.45 1.61 0.15 -1.26 -4.96 113.70 115.57 2kfs s SER 8 Ca 0.00 -0.42 -0.22 0.00 0.70 0.00 0.00 55.95 56.01 2kfs s SER 8 Cb 0.00 -2.55 -0.09 0.00 -1.71 0.00 0.00 66.02 61.67 2kfs s SER 8 CO 0.00 -2.01 1.05 -0.89 1.20 0.00 0.00 173.24 172.58 2kfs s THR 9 N 6.91 3.73 0.53 6.45 2.01 -1.26 -5.07 115.64 128.94 2kfs s THR 9 Ca 0.49 1.18 0.05 0.00 0.31 0.00 0.00 61.69 63.71 2kfs s THR 9 Cb -0.08 -3.54 0.02 0.00 0.01 0.00 0.00 72.50 68.92 2kfs s THR 9 CO 0.11 -0.13 0.31 -0.76 -0.69 0.00 0.00 174.62 173.46 2kfs s LEU 10 N -3.13 2.66 -0.47 4.42 1.43 -1.26 -5.08 118.68 117.25 2kfs s LEU 10 Ca 0.63 -1.31 -0.24 0.00 -1.03 0.00 0.00 54.13 52.19 2kfs s LEU 10 Cb -0.19 -1.13 0.03 0.00 0.03 0.00 0.00 46.19 44.92 2kfs s LEU 10 CO 0.23 -1.02 0.84 0.00 0.23 0.00 0.00 176.35 176.64 2kfs s ALA 11 N -2.78 3.26 -0.67 4.21 0.00 -1.26 -4.98 121.76 119.54 2kfs s ALA 11 Ca 0.29 -0.99 -0.19 0.00 0.00 0.00 0.00 51.96 51.07 2kfs s ALA 11 Cb -0.01 -3.55 0.11 0.00 0.00 0.00 0.00 23.12 19.67 2kfs s ALA 11 CO 0.18 -2.02 0.80 1.03 0.00 0.00 0.00 175.76 175.74 2kfs s ARG 12 N 3.49 3.18 0.04 0.00 3.00 -1.26 -5.00 118.95 122.40 2kfs s ARG 12 Ca 0.32 -1.44 0.04 0.00 0.00 0.00 0.00 55.73 54.65 2kfs s ARG 12 Cb -0.12 -4.37 -0.02 0.00 0.00 0.00 0.00 34.95 30.44 2kfs s ARG 12 CO 0.23 -1.58 -0.13 0.14 0.00 0.00 0.00 175.30 173.96 2kfs s VAL 13 N 2.60 0.98 -0.06 3.52 -7.23 -1.26 -5.07 120.40 113.87 2kfs s VAL 13 Ca 0.16 -1.03 -0.03 0.00 -1.81 0.00 0.00 61.98 59.28 2kfs s VAL 13 Cb -0.19 -0.92 -0.01 0.00 0.56 0.00 0.00 36.38 35.82 2kfs s VAL 13 CO 0.03 -0.09 -0.06 1.23 -0.31 0.00 0.00 175.10 175.90 2kfs h GLY 14 N 4.80 0.00 0.00 2.32 0.00 -1.94 -3.51 103.07 104.74 2kfs h GLY 14 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2kfs h GLY 14 CO 0.43 0.00 0.00 -1.26 0.00 0.00 0.00 176.54 175.71 2kfs n SER 15 N -3.47 0.00 -4.64 0.19 2.88 -1.26 -4.92 113.62 102.40 2kfs n SER 15 Ca -0.02 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.11 2kfs n SER 15 Cb 0.08 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.49 2kfs n SER 15 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2kfs s ILE 16 N -2.00 4.96 0.79 2.46 1.09 -0.10 -4.95 121.20 123.45 2kfs s ILE 16 Ca 0.00 1.26 -0.12 0.00 -1.10 0.00 0.00 60.65 60.69 2kfs s ILE 16 Cb 0.00 -3.98 0.07 0.00 -1.06 0.00 0.00 42.46 37.48 2kfs s ILE 16 CO 0.00 0.03 1.11 -2.16 -0.10 0.00 0.00 174.94 173.81 2kfs s PRO 17 N 2.41 2.13 -0.23 2.79 0.04 -1.26 -4.65 135.00 136.22 2kfs s PRO 17 Ca 0.29 0.54 -0.09 0.00 0.04 0.00 0.00 61.00 61.78 2kfs s PRO 17 Cb -0.16 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 2kfs s PRO 17 CO 0.09 -1.57 0.12 0.00 0.04 0.00 0.00 177.00 175.68 2kfs s ALA 18 N -3.23 3.45 0.00 8.56 0.00 -1.26 -4.55 121.76 124.73 2kfs s ALA 18 Ca 0.61 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.62 2kfs s ALA 18 Cb -0.14 -2.20 0.00 0.00 0.00 0.00 0.00 23.12 20.78 2kfs s ALA 18 CO 0.53 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.47 2kfs n GLY 19 N 4.38 0.62 3.50 0.00 0.00 -1.25 -4.59 105.19 107.85 2kfs n GLY 19 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.28 4.55 -0.28 1.61 2.15 -1.26 -1.62 116.67 121.54 2kfs s ASP 20 Ca 0.00 -0.14 -0.29 0.00 0.43 0.00 0.00 52.55 52.55 2kfs s ASP 20 Cb 0.00 -1.52 -0.01 0.00 -0.30 0.00 0.00 42.92 41.10 2kfs s ASP 20 CO 0.00 0.24 1.39 -0.62 -0.17 0.00 0.00 175.17 176.01 2kfs s ASP 21 N -0.06 6.59 0.00 -0.34 -1.08 -1.09 -4.66 116.67 116.03 2kfs s ASP 21 Ca 0.00 1.32 0.23 0.00 -0.52 0.00 0.00 52.55 53.58 2kfs s ASP 21 Cb -0.13 -2.54 0.16 0.00 -1.46 0.00 0.00 42.92 38.94 2kfs s ASP 21 CO 0.03 -1.13 1.17 0.52 0.52 0.00 0.00 175.17 176.28 2kfs n VAL 22 N 6.27 0.00 -2.60 1.11 0.31 -1.26 -4.98 118.33 117.18 2kfs n VAL 22 Ca 0.16 -0.05 -0.07 0.00 -0.01 0.00 0.00 64.34 64.36 2kfs n VAL 22 Cb 0.46 0.73 0.03 0.00 -0.91 0.00 0.00 33.84 34.15 2kfs n VAL 22 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kfs n LEU 23 N -1.18 0.00 -4.76 7.52 -0.00 -1.26 -5.08 117.00 112.25 2kfs n LEU 23 Ca 0.06 -0.72 -0.37 0.00 -0.00 0.00 0.00 56.01 54.99 2kfs n LEU 23 Cb 0.35 -0.18 -0.07 0.00 -0.00 0.00 0.00 43.42 43.52 2kfs n LEU 23 CO 0.36 -0.62 -0.03 -1.81 -0.00 0.00 0.00 177.39 175.29 2kfs s ASP 24 N -2.25 6.46 0.66 1.45 1.11 -1.26 -4.97 116.67 117.87 2kfs s ASP 24 Ca 0.21 0.54 0.35 0.00 0.18 0.00 0.00 52.55 53.83 2kfs s ASP 24 Cb -0.01 -2.17 1.93 0.00 1.07 0.00 0.00 42.92 43.74 2kfs s ASP 24 CO 0.13 0.17 2.11 -0.65 1.18 0.00 0.00 175.17 178.11 2kfs h PRO 25 N 6.23 0.00 -1.00 8.23 0.11 -1.99 0.14 132.00 143.71 2kfs h PRO 25 Ca -0.44 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.76 2kfs h PRO 25 Cb 1.18 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.21 2kfs h PRO 25 CO 0.72 0.00 0.64 0.22 -0.21 0.00 0.00 178.00 179.37 2kfs h ASP 26 N 0.00 0.98 -3.33 -2.05 3.58 -2.06 -3.41 116.42 110.13 2kfs h ASP 26 Ca 0.01 0.03 -0.52 0.00 0.42 0.00 0.00 57.03 56.97 2kfs h ASP 26 Cb 0.41 -0.17 0.04 0.00 1.72 0.00 0.00 39.33 41.33 2kfs h ASP 26 CO -0.00 0.57 0.70 -1.61 -2.88 0.00 0.00 179.24 176.02 2kfs s GLU 27 N -6.00 4.34 0.15 0.28 0.41 0.03 -4.93 118.70 112.98 2kfs s GLU 27 Ca -0.12 2.15 -0.32 0.00 -0.41 0.00 0.00 54.97 56.26 2kfs s GLU 27 Cb 0.21 -3.17 -0.12 0.00 -1.78 0.00 0.00 34.13 29.27 2kfs s GLU 27 CO 0.81 -0.33 1.72 -2.30 -0.49 0.00 0.00 175.26 174.67 2kfs n PRO 28 N 2.69 2.57 -4.26 0.39 -0.02 -1.26 -4.94 135.00 130.16 2kfs n PRO 28 Ca 0.07 0.93 -0.16 0.00 -2.02 0.00 0.00 63.50 62.32 2kfs n PRO 28 Cb 0.42 -2.77 -0.10 0.00 -0.02 0.00 0.00 33.50 31.03 2kfs n PRO 28 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2kfs s THR 29 N 1.70 1.31 0.31 3.45 2.01 -1.26 -1.49 115.64 121.66 2kfs s THR 29 Ca 0.79 -1.99 0.10 0.00 0.31 0.00 0.00 61.69 60.90 2kfs s THR 29 Cb -0.56 -1.79 -0.05 0.00 0.01 0.00 0.00 72.50 70.11 2kfs s THR 29 CO 0.36 -0.63 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.30 2kfs s TYR 30 N -2.94 2.51 0.22 4.92 2.02 0.12 -4.78 117.35 119.43 2kfs s TYR 30 Ca 0.15 -0.36 0.02 0.00 -0.37 0.00 0.00 57.07 56.51 2kfs s TYR 30 Cb -0.00 -1.28 -0.05 0.00 -0.40 0.00 0.00 41.96 40.23 2kfs s TYR 30 CO 0.02 0.58 0.05 0.34 -1.57 0.00 0.00 175.55 174.97 2kfs s ASP 31 N -3.65 1.30 0.16 2.29 -1.08 -1.26 -0.19 116.67 114.24 2kfs s ASP 31 Ca 0.33 -1.28 -0.24 0.00 -0.52 0.00 0.00 52.55 50.83 2kfs s ASP 31 Cb -0.03 0.12 0.04 0.00 -1.46 0.00 0.00 42.92 41.59 2kfs s ASP 31 CO 0.18 -0.64 1.59 -0.07 0.52 0.00 0.00 175.17 176.76 2kfs h LEU 32 N 2.51 -1.14 -0.54 -1.34 -0.00 -1.98 0.30 115.31 113.12 2kfs h LEU 32 Ca -0.38 0.19 0.08 0.00 -0.00 0.00 0.00 57.88 57.77 2kfs h LEU 32 Cb 1.23 0.52 -0.06 0.00 -0.00 0.00 0.00 40.66 42.34 2kfs h LEU 32 CO 0.62 -0.34 0.18 1.55 -0.00 0.00 0.00 178.44 180.46 2kfs h PRO 33 N -0.29 0.35 -0.61 1.13 0.13 -1.98 -0.58 132.00 130.15 2kfs h PRO 33 Ca 0.15 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 65.18 2kfs h PRO 33 Cb 0.55 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.58 2kfs h PRO 33 CO -0.52 0.23 0.06 -0.09 -0.23 0.00 0.00 178.00 177.45 2kfs h ARG 34 N 0.36 1.02 -0.41 0.86 9.65 -1.75 -0.03 114.38 124.08 2kfs h ARG 34 Ca 0.27 -0.28 -0.14 0.00 -1.10 0.00 0.00 59.98 58.73 2kfs h ARG 34 Cb 0.31 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.77 2kfs h ARG 34 CO -0.28 0.96 -0.30 0.28 2.80 0.00 0.00 179.97 183.43 2kfs h VAL 35 N 0.95 1.27 -0.84 0.20 2.07 -0.44 0.62 116.25 120.08 2kfs h VAL 35 Ca 0.18 -1.47 -0.03 0.00 0.82 0.00 0.00 66.70 66.21 2kfs h VAL 35 Cb 0.46 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 2kfs h VAL 35 CO 0.02 0.49 0.42 0.00 0.02 0.00 0.00 177.57 178.53 2kfs h ALA 36 N 0.80 1.17 -0.33 1.67 0.00 -0.92 -1.69 119.26 119.95 2kfs h ALA 36 Ca 0.08 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2kfs h ALA 36 Cb 0.88 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2kfs h ALA 36 CO 0.08 0.65 0.03 1.49 0.00 0.00 0.00 179.25 181.50 2kfs h GLU 37 N 1.19 0.56 -0.22 0.00 4.81 -0.62 0.17 114.58 120.47 2kfs h GLU 37 Ca 0.29 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 2kfs h GLU 37 Cb 0.08 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2kfs h GLU 37 CO -0.04 0.66 0.11 -0.07 -0.73 0.00 0.00 179.01 178.94 2kfs h LEU 38 N 0.38 0.29 0.00 1.64 3.38 -0.49 -3.00 115.31 117.50 2kfs h LEU 38 Ca 0.10 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2kfs h LEU 38 Cb 0.39 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2kfs h LEU 38 CO 0.01 0.32 -0.26 -0.07 0.09 0.00 0.00 178.44 178.54 2kfs h LEU 39 N 0.23 0.00 0.39 1.67 3.38 -1.28 -3.47 115.31 116.22 2kfs h LEU 39 Ca 0.08 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 2kfs h LEU 39 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2kfs h LEU 39 CO -0.01 0.01 -0.08 0.61 0.09 0.00 0.00 178.44 179.06 2kfs n GLY 40 N 1.18 0.34 3.51 0.83 0.00 0.47 -5.04 105.19 106.47 2kfs n GLY 40 Ca 0.03 -0.80 -0.24 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.15 2.70 0.74 1.61 -7.23 -0.38 -5.02 120.40 110.67 2kfs s VAL 41 Ca 0.00 -2.25 -0.11 0.00 -1.81 0.00 0.00 61.98 57.81 2kfs s VAL 41 Cb 0.00 -2.41 0.03 0.00 0.56 0.00 0.00 36.38 34.56 2kfs s VAL 41 CO 0.00 -0.36 1.07 -2.16 -0.31 0.00 0.00 175.10 173.34 2kfs s PRO 42 N -3.46 2.60 0.43 4.82 0.04 -1.26 -4.38 135.00 133.79 2kfs s PRO 42 Ca 0.29 0.85 0.16 0.00 0.04 0.00 0.00 61.00 62.34 2kfs s PRO 42 Cb -0.06 -1.96 1.07 0.00 0.04 0.00 0.00 34.50 33.59 2kfs s PRO 42 CO 0.16 -1.31 1.94 0.28 0.04 0.00 0.00 177.00 178.10 2kfs h VAL 43 N -0.87 0.81 -0.90 -0.36 2.07 -1.93 -0.14 116.25 114.93 2kfs h VAL 43 Ca -0.45 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 66.99 2kfs h VAL 43 Cb 1.23 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.33 2kfs h VAL 43 CO 0.57 0.07 0.57 0.28 0.02 0.00 0.00 177.57 179.08 2kfs h SER 44 N 0.39 0.91 0.26 0.57 0.02 -1.99 0.98 113.55 114.70 2kfs h SER 44 Ca 0.35 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.19 2kfs h SER 44 Cb 0.81 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 2kfs h SER 44 CO -0.10 0.60 -0.46 0.11 -1.14 0.00 0.00 176.83 175.83 2kfs h LYS 45 N 1.06 0.25 -0.67 3.45 1.57 -1.39 -0.49 116.57 120.35 2kfs h LYS 45 Ca 0.38 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 59.01 2kfs h LYS 45 Cb 0.12 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 2kfs h LYS 45 CO -0.16 0.66 0.33 0.28 -0.57 0.00 0.00 179.45 179.99 2kfs h VAL 46 N 0.20 1.22 -0.60 0.50 2.07 -0.98 0.08 116.25 118.74 2kfs h VAL 46 Ca 0.01 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 2kfs h VAL 46 Cb 0.90 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 2kfs h VAL 46 CO 0.07 0.26 0.27 0.00 0.02 0.00 0.00 177.57 178.19 2kfs h ALA 47 N 1.15 1.33 -0.44 1.67 0.00 -0.35 -0.98 119.26 121.64 2kfs h ALA 47 Ca 0.23 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2kfs h ALA 47 Cb 0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2kfs h ALA 47 CO -0.03 0.51 -0.10 1.96 0.00 0.00 0.00 179.25 181.59 2kfs h GLN 48 N 0.86 0.79 -0.29 0.00 4.20 -0.38 0.79 115.11 121.08 2kfs h GLN 48 Ca 0.21 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 2kfs h GLN 48 Cb 0.13 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 2kfs h GLN 48 CO -0.02 0.86 0.12 1.96 -0.67 0.00 0.00 178.83 181.08 2kfs h GLN 49 N 0.72 0.43 -0.76 1.46 4.20 -0.24 -0.40 115.11 120.53 2kfs h GLN 49 Ca 0.12 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 2kfs h GLN 49 Cb 0.58 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.25 2kfs h GLN 49 CO 0.04 0.45 0.40 -0.07 -0.67 0.00 0.00 178.83 178.98 2kfs h LEU 50 N 0.32 0.96 -0.51 1.46 3.38 -0.95 0.22 115.31 120.19 2kfs h LEU 50 Ca 0.10 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2kfs h LEU 50 Cb 0.18 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2kfs h LEU 50 CO -0.01 0.78 0.28 -0.09 0.09 0.00 0.00 178.44 179.49 2kfs h ARG 51 N 1.07 0.71 0.00 1.13 9.65 -0.52 -0.24 114.38 126.18 2kfs h ARG 51 Ca 0.27 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 59.06 2kfs h ARG 51 Cb 0.05 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.49 2kfs h ARG 51 CO -0.04 0.55 -0.74 0.39 2.80 0.00 0.00 179.97 182.93 2kfs n GLU 52 N -4.65 0.11 -1.94 0.20 -0.58 -0.19 -3.99 120.64 109.61 2kfs n GLU 52 Ca 0.02 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 2kfs n GLU 52 Cb 0.09 -1.55 0.00 0.00 -0.57 0.00 0.00 31.44 29.41 2kfs n GLU 52 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kfs n GLY 53 N 1.45 0.81 0.08 0.62 0.00 0.54 -4.92 105.19 103.76 2kfs n GLY 53 Ca 0.04 -0.66 0.11 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.77 0.63 -3.50 1.61 -0.00 0.06 -4.36 115.22 106.89 2kfs n HIS 54 Ca 0.00 0.18 -0.16 0.00 -0.00 0.00 0.00 57.72 57.74 2kfs n HIS 54 Cb 0.43 -0.75 -0.05 0.00 -0.00 0.00 0.00 29.99 29.61 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 -4.84 -0.62 0.19 0.27 2.96 -1.22 -4.22 118.68 111.20 2kfs s LEU 55 Ca -0.01 0.54 0.05 0.00 -0.22 0.00 0.00 54.13 54.49 2kfs s LEU 55 Cb 0.12 2.54 -0.05 0.00 0.50 0.00 0.00 46.19 49.30 2kfs s LEU 55 CO 0.81 -0.70 -0.09 0.68 -1.32 0.00 0.00 176.35 175.74 2kfs s VAL 56 N -1.82 1.31 0.11 1.68 -7.23 -1.26 -3.69 120.40 109.49 2kfs s VAL 56 Ca -0.08 -2.10 0.01 0.00 -1.81 0.00 0.00 61.98 58.00 2kfs s VAL 56 Cb -0.00 -2.05 -0.04 0.00 0.56 0.00 0.00 36.38 34.84 2kfs s VAL 56 CO 0.04 -0.58 -0.03 0.00 -0.31 0.00 0.00 175.10 174.23 2kfs s ALA 57 N -3.24 0.93 0.22 1.32 0.00 -1.26 -4.79 121.76 114.94 2kfs s ALA 57 Ca 0.22 -1.38 0.03 0.00 0.00 0.00 0.00 51.96 50.82 2kfs s ALA 57 Cb 0.03 0.37 -0.05 0.00 0.00 0.00 0.00 23.12 23.46 2kfs s ALA 57 CO 0.05 -0.32 0.02 0.14 0.00 0.00 0.00 175.76 175.64 2kfs s VAL 58 N -3.76 0.87 -0.09 0.00 -7.23 -0.06 -3.90 120.40 106.23 2kfs s VAL 58 Ca 0.15 -2.01 0.04 0.00 -1.81 0.00 0.00 61.98 58.34 2kfs s VAL 58 Cb 0.06 -2.35 0.00 0.00 0.56 0.00 0.00 36.38 34.66 2kfs s VAL 58 CO -0.03 -0.30 -0.22 -0.60 -0.31 0.00 0.00 175.10 173.64 2kfs s ARG 59 N -3.91 2.78 -0.17 4.82 3.52 -0.64 -0.20 118.95 125.16 2kfs s ARG 59 Ca 0.29 -0.80 0.00 0.00 -0.13 0.00 0.00 55.73 55.09 2kfs s ARG 59 Cb 0.06 -2.13 0.03 0.00 -1.56 0.00 0.00 34.95 31.35 2kfs s ARG 59 CO 0.09 0.17 -0.11 -0.98 -0.81 0.00 0.00 175.30 173.66 2kfs s ARG 60 N 0.35 2.00 -2.16 5.12 1.70 0.92 -2.67 118.95 124.21 2kfs s ARG 60 Ca -0.17 -0.63 0.00 0.00 -0.47 0.00 0.00 55.73 54.46 2kfs s ARG 60 Cb -0.17 -2.16 0.00 0.00 -0.57 0.00 0.00 34.95 32.05 2kfs s ARG 60 CO 0.08 -0.34 0.00 0.00 -1.08 0.00 0.00 175.30 173.96 2kfs n ALA 61 N 4.77 -0.33 0.00 7.88 0.00 -1.26 -0.77 120.51 130.80 2kfs n ALA 61 Ca -0.15 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2kfs n ALA 61 Cb 0.48 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.90 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 -0.41 2.26 3.86 0.00 0.00 -1.26 -5.08 105.19 104.56 2kfs n GLY 62 Ca -0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.37 2.33 -0.26 -0.02 0.00 0.05 -5.05 107.32 101.99 2kfs s GLY 63 Ca 0.00 -0.42 -0.13 0.00 0.00 0.00 0.00 44.72 44.16 2kfs s GLY 63 CO 0.00 -0.13 0.30 0.14 0.00 0.00 0.00 173.10 173.41 2kfs s VAL 64 N -1.10 5.23 0.11 1.40 1.01 -1.26 -0.06 120.40 125.73 2kfs s VAL 64 Ca 0.21 0.43 0.05 0.00 0.00 0.00 0.00 61.98 62.67 2kfs s VAL 64 Cb -0.14 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2kfs s VAL 64 CO 0.10 0.21 -0.12 0.68 0.00 0.00 0.00 175.10 175.97 2kfs s VAL 65 N 1.82 1.12 -0.19 2.92 -7.23 0.72 -4.20 120.40 115.36 2kfs s VAL 65 Ca 0.12 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 58.65 2kfs s VAL 65 Cb -0.16 -1.40 0.04 0.00 0.56 0.00 0.00 36.38 35.42 2kfs s VAL 65 CO 0.10 -0.47 -0.08 -0.63 -0.31 0.00 0.00 175.10 173.71 2kfs s ILE 66 N -2.22 1.42 0.22 -0.62 1.01 0.73 -0.88 121.20 120.88 2kfs s ILE 66 Ca 0.06 -0.88 -0.32 0.00 0.00 0.00 0.00 60.65 59.51 2kfs s ILE 66 Cb -0.04 -1.56 -0.13 0.00 0.01 0.00 0.00 42.46 40.74 2kfs s ILE 66 CO 0.02 0.13 1.47 -2.65 0.00 0.00 0.00 174.94 173.90 2kfs n PRO 67 N 4.76 2.13 0.22 2.79 -0.02 -1.26 0.12 135.00 143.73 2kfs n PRO 67 Ca -0.13 0.76 0.17 0.00 -2.02 0.00 0.00 63.50 62.28 2kfs n PRO 67 Cb 0.47 -2.46 0.84 0.00 -0.02 0.00 0.00 33.50 32.33 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 4.71 0.00 0.00 -0.52 4.15 -1.57 -1.90 115.11 119.98 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 1.26 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.95 2kfs h GLN 68 CO 0.79 0.00 0.00 -0.39 -1.93 0.00 0.00 178.83 177.30 2kfs h VAL 69 N 0.00 0.00 -0.00 2.39 -1.51 -1.90 0.11 116.25 115.34 2kfs h VAL 69 Ca 0.08 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.54 2kfs h VAL 69 Cb 0.43 0.55 0.00 0.00 -2.13 0.00 0.00 31.29 30.14 2kfs h VAL 69 CO -0.00 0.00 -0.07 0.49 -1.23 0.00 0.00 177.57 176.76 2kfs n PHE 70 N -2.34 0.00 -4.48 5.19 3.01 -0.72 -4.82 117.46 113.29 2kfs n PHE 70 Ca -0.02 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.20 2kfs n PHE 70 Cb 0.04 -0.27 -0.10 0.00 -0.01 0.00 0.00 39.48 39.14 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 -2.61 2.26 0.75 1.38 0.40 0.39 -3.09 117.98 117.45 2kfs s PHE 71 Ca 0.26 -0.45 -0.05 0.00 -0.60 0.00 0.00 56.93 56.09 2kfs s PHE 71 Cb 0.20 -1.14 0.12 0.00 0.51 0.00 0.00 43.02 42.71 2kfs s PHE 71 CO 0.49 0.60 1.05 0.95 0.70 0.00 0.00 175.22 179.01 2kfs s THR 72 N -2.63 2.18 0.12 0.64 -4.23 0.11 -4.84 115.64 106.98 2kfs s THR 72 Ca 0.30 -0.41 0.31 0.00 -1.18 0.00 0.00 61.69 60.72 2kfs s THR 72 Cb -0.01 -2.77 0.31 0.00 1.34 0.00 0.00 72.50 71.37 2kfs s THR 72 CO 0.15 0.00 1.95 -1.13 -0.54 0.00 0.00 174.62 175.04 2kfs h ASN 73 N -0.73 0.00 -0.24 3.99 -1.24 -1.93 -0.80 115.58 114.63 2kfs h ASN 73 Ca -0.40 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.61 2kfs h ASN 73 Cb 1.27 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.32 2kfs h ASN 73 CO 0.45 0.00 0.00 -1.20 -1.29 0.00 0.00 177.43 175.39 2kfs n SER 74 N -2.60 2.88 -0.74 1.15 7.64 -1.26 -4.93 113.62 115.75 2kfs n SER 74 Ca -0.02 -1.91 -0.06 0.00 1.01 0.00 0.00 58.87 57.90 2kfs n SER 74 Cb 0.08 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 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 1.38 0.22 3.56 0.23 0.00 -0.31 -5.04 105.19 105.23 2kfs n GLY 75 Ca 0.17 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 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 -4.46 2.33 0.15 1.61 0.74 -1.26 -4.60 119.66 114.17 2kfs s GLN 76 Ca 0.03 -0.87 -0.31 0.00 0.05 0.00 0.00 55.36 54.26 2kfs s GLN 76 Cb -0.01 -2.38 -0.09 0.00 1.10 0.00 0.00 33.01 31.63 2kfs s GLN 76 CO 0.03 0.56 1.46 0.08 -0.55 0.00 0.00 175.29 176.88 2kfs s VAL 77 N -1.05 2.98 0.18 1.34 1.01 -1.26 0.04 120.40 123.63 2kfs s VAL 77 Ca 0.18 0.71 -0.33 0.00 0.00 0.00 0.00 61.98 62.54 2kfs s VAL 77 Cb -0.11 -3.46 -0.13 0.00 0.00 0.00 0.00 36.38 32.68 2kfs s VAL 77 CO 0.09 0.06 1.59 0.52 0.00 0.00 0.00 175.10 177.36 2kfs n VAL 78 N 3.84 0.11 0.26 2.92 0.31 -1.18 -4.84 118.33 119.74 2kfs n VAL 78 Ca 0.12 -0.03 0.18 0.00 -0.01 0.00 0.00 64.34 64.60 2kfs n VAL 78 Cb 0.41 -1.61 0.91 0.00 -0.91 0.00 0.00 33.84 32.64 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 5.87 0.00 -0.54 5.55 2.10 -1.93 -0.08 116.57 127.54 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 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 2kfs h LYS 79 CO 0.89 0.00 0.00 0.45 -2.00 0.00 0.00 179.45 178.79 2kfs n SER 80 N -3.55 3.56 0.28 7.07 2.88 -1.26 -4.66 113.62 117.93 2kfs n SER 80 Ca -0.00 -2.06 -0.14 0.00 -1.33 0.00 0.00 58.87 55.33 2kfs n SER 80 Cb 0.25 -0.38 -0.07 0.00 -0.75 0.00 0.00 64.21 63.26 2kfs n SER 80 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2kfs h LEU 81 N 3.19 -0.62 -1.62 2.46 5.85 -1.37 -3.14 115.31 120.07 2kfs h LEU 81 Ca 0.00 -0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.74 2kfs h LEU 81 Cb 0.92 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 2kfs h LEU 81 CO 0.02 -0.26 0.36 1.55 -0.34 0.00 0.00 178.44 179.77 2kfs h PRO 82 N -1.04 0.45 -0.45 5.25 0.13 -1.79 -2.21 132.00 132.35 2kfs h PRO 82 Ca -0.08 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.02 2kfs h PRO 82 Cb 0.63 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.64 2kfs h PRO 82 CO 0.12 0.30 0.23 0.78 -0.23 0.00 0.00 178.00 179.20 2kfs h GLY 83 N 0.47 0.67 1.10 1.56 0.00 -1.87 0.83 103.07 105.83 2kfs h GLY 83 Ca 0.23 -0.32 -0.14 0.00 0.00 0.00 0.00 47.33 47.11 2kfs h GLY 83 CO -0.06 0.30 -0.25 0.17 0.00 0.00 0.00 176.54 176.70 2kfs h LEU 84 N 0.58 1.00 -0.55 3.11 8.10 -1.36 -2.76 115.31 123.43 2kfs h LEU 84 Ca 0.16 -0.41 -0.06 0.00 0.11 0.00 0.00 57.88 57.68 2kfs h LEU 84 Cb 0.08 -0.28 -0.02 0.00 -0.44 0.00 0.00 40.66 40.00 2kfs h LEU 84 CO -0.02 1.19 0.12 -0.07 -4.11 0.00 0.00 178.44 175.55 2kfs h LEU 85 N 0.81 0.84 -0.35 0.17 3.38 -1.20 -2.33 115.31 116.62 2kfs h LEU 85 Ca 0.10 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 2kfs h LEU 85 Cb 0.83 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2kfs h LEU 85 CO 0.07 0.87 0.09 0.74 0.09 0.00 0.00 178.44 180.30 2kfs h THR 86 N 0.78 1.22 -0.38 0.22 2.02 -0.76 0.17 112.91 116.18 2kfs h THR 86 Ca 0.17 -0.73 -0.06 0.00 0.77 0.00 0.00 66.41 66.56 2kfs h THR 86 Cb 0.36 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 2kfs h THR 86 CO 0.00 0.25 0.01 -0.29 0.37 0.00 0.00 175.52 175.86 2kfs h ILE 87 N 0.42 1.26 -0.49 3.11 -0.00 -1.42 -1.72 117.51 118.66 2kfs h ILE 87 Ca 0.11 -0.98 -0.10 0.00 -0.00 0.00 0.00 64.86 63.89 2kfs h ILE 87 Cb 0.29 1.13 -0.02 0.00 -0.00 0.00 0.00 36.82 38.22 2kfs h ILE 87 CO -0.00 0.33 -0.09 -0.07 -0.00 0.00 0.00 178.15 178.32 2kfs h LEU 88 N 0.50 0.88 -0.60 2.19 3.38 -1.33 -0.31 115.31 120.02 2kfs h LEU 88 Ca 0.11 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 2kfs h LEU 88 Cb 0.45 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2kfs h LEU 88 CO 0.02 1.00 0.24 -0.74 0.09 0.00 0.00 178.44 179.04 2kfs h HIS 89 N 0.81 0.91 0.00 1.13 2.76 -0.80 0.13 115.15 120.08 2kfs h HIS 89 Ca 0.13 -0.07 -0.09 0.00 -2.20 0.00 0.00 60.37 58.14 2kfs h HIS 89 Cb 0.61 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.28 2kfs h HIS 89 CO 0.04 0.73 -0.43 0.22 -1.30 0.00 0.00 177.93 177.19 2kfs h ASP 90 N 0.83 0.00 0.15 3.26 3.58 -1.05 -2.52 116.42 120.66 2kfs h ASP 90 Ca 0.20 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.65 2kfs h ASP 90 Cb 0.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.26 2kfs h ASP 90 CO -0.02 0.43 0.00 0.61 -2.88 0.00 0.00 179.24 177.38 2kfs n GLY 91 N -0.09 -1.02 0.91 -0.78 0.00 -0.15 -4.86 105.19 99.20 2kfs n GLY 91 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.96 0.89 3.82 -0.02 0.00 -0.95 -5.00 105.19 104.89 2kfs n GLY 92 Ca 0.20 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.00 3.39 0.52 1.61 2.02 -0.03 -5.03 117.35 117.83 2kfs s TYR 93 Ca 0.00 0.29 0.05 0.00 -0.37 0.00 0.00 57.07 57.04 2kfs s TYR 93 Cb 0.00 -1.79 0.04 0.00 -0.40 0.00 0.00 41.96 39.81 2kfs s TYR 93 CO 0.00 0.60 0.72 -0.98 -1.57 0.00 0.00 175.55 174.31 2kfs s ARG 94 N -1.64 2.52 0.25 -0.62 1.70 -1.26 -4.16 118.95 115.74 2kfs s ARG 94 Ca 0.22 -1.15 -0.04 0.00 -0.47 0.00 0.00 55.73 54.29 2kfs s ARG 94 Cb -0.12 -2.61 0.43 0.00 -0.57 0.00 0.00 34.95 32.08 2kfs s ARG 94 CO 0.13 -0.64 1.77 0.38 -1.08 0.00 0.00 175.30 175.87 2kfs h ASP 95 N 0.26 0.51 -0.76 -2.89 2.03 -1.92 -0.36 116.42 113.28 2kfs h ASP 95 Ca -0.38 0.07 -0.03 0.00 -0.73 0.00 0.00 57.03 55.96 2kfs h ASP 95 Cb 1.29 -0.01 -0.03 0.00 -0.83 0.00 0.00 39.33 39.74 2kfs h ASP 95 CO 0.46 0.26 0.36 0.74 -1.03 0.00 0.00 179.24 180.03 2kfs h THR 96 N 0.63 1.25 -0.19 1.15 2.02 -1.90 -2.10 112.91 113.77 2kfs h THR 96 Ca 0.41 -0.70 -0.09 0.00 0.77 0.00 0.00 66.41 66.80 2kfs h THR 96 Cb 0.50 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 2kfs h THR 96 CO -0.31 0.29 -0.26 -0.33 0.37 0.00 0.00 175.52 175.28 2kfs h GLU 97 N 1.08 0.35 -0.04 6.66 4.39 -1.47 -0.47 114.58 125.09 2kfs h GLU 97 Ca 0.26 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.83 2kfs h GLU 97 Cb 0.13 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2kfs h GLU 97 CO -0.03 0.60 0.02 0.82 -1.16 0.00 0.00 179.01 179.26 2kfs h ILE 98 N 0.32 1.06 0.00 3.13 1.08 -0.76 -1.84 117.51 120.49 2kfs h ILE 98 Ca 0.05 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 2kfs h ILE 98 Cb 0.64 1.11 0.00 0.00 -3.07 0.00 0.00 36.82 35.50 2kfs h ILE 98 CO 0.05 0.05 0.00 0.00 -0.69 0.00 0.00 178.15 177.55 2kfs h MET 99 N -0.01 0.00 0.16 2.37 -0.00 -1.36 -3.10 114.93 113.00 2kfs h MET 99 Ca 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.71 2kfs h MET 99 Cb 0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.66 2kfs h MET 99 CO -0.00 0.00 -0.13 -0.09 -0.00 0.00 0.00 176.91 176.69 2kfs h ARG 100 N 0.00 -0.27 -0.09 -0.10 2.43 -0.20 -0.46 114.38 115.70 2kfs h ARG 100 Ca 0.00 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.08 2kfs h ARG 100 Cb 0.72 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 2kfs h ARG 100 CO 0.00 -0.18 -0.45 0.11 -1.51 0.00 0.00 179.97 177.94 2kfs h TRP 101 N -0.28 0.24 -1.00 2.20 5.08 -1.68 -3.16 115.95 117.35 2kfs h TRP 101 Ca -0.02 -0.07 0.01 0.00 1.08 0.00 0.00 58.89 59.89 2kfs h TRP 101 Cb 0.23 -0.05 -0.05 0.00 -3.00 0.00 0.00 29.16 26.29 2kfs h TRP 101 CO -0.03 0.62 0.66 -0.07 -1.28 0.00 0.00 178.44 178.34 2kfs h LEU 102 N 0.17 1.16 -0.26 0.11 3.38 -1.45 -1.76 115.31 116.66 2kfs h LEU 102 Ca 0.01 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2kfs h LEU 102 Cb 0.86 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2kfs h LEU 102 CO 0.07 0.84 -0.12 0.49 0.09 0.00 0.00 178.44 179.81 2kfs n PHE 103 N -4.38 0.00 -3.00 1.13 3.01 -0.19 -3.07 117.46 110.97 2kfs n PHE 103 Ca 0.12 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.17 2kfs n PHE 103 Cb 0.02 -0.18 -0.05 0.00 -0.01 0.00 0.00 39.48 39.25 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 -2.48 4.91 0.20 4.37 2.01 -0.66 -4.83 115.64 119.16 2kfs s THR 104 Ca 0.28 1.36 -0.32 0.00 0.31 0.00 0.00 61.69 63.33 2kfs s THR 104 Cb 0.20 -4.03 -0.12 0.00 0.01 0.00 0.00 72.50 68.56 2kfs s THR 104 CO 0.48 -0.02 1.73 -2.65 -0.69 0.00 0.00 174.62 173.47 2kfs n PRO 105 N 5.83 2.78 -3.47 4.92 -0.02 -1.26 -4.33 135.00 139.45 2kfs n PRO 105 Ca 0.03 1.00 -0.38 0.00 -2.02 0.00 0.00 63.50 62.13 2kfs n PRO 105 Cb 0.48 -2.85 -0.08 0.00 -0.02 0.00 0.00 33.50 31.02 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 1.30 6.31 0.39 2.55 2.15 0.54 -4.79 116.67 125.11 2kfs s ASP 106 Ca 0.76 0.35 0.10 0.00 0.43 0.00 0.00 52.55 54.18 2kfs s ASP 106 Cb -0.50 -2.19 0.87 0.00 -0.30 0.00 0.00 42.92 40.79 2kfs s ASP 106 CO 0.33 -0.05 1.95 -0.65 -0.17 0.00 0.00 175.17 176.57 2kfs h PRO 107 N 7.56 0.59 -0.12 4.34 0.11 -1.91 -1.81 132.00 140.76 2kfs h PRO 107 Ca -0.36 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2kfs h PRO 107 Cb 1.16 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2kfs h PRO 107 CO 0.68 0.39 0.00 -1.13 -0.21 0.00 0.00 178.00 177.74 2kfs n SER 108 N -4.49 1.66 -4.65 -2.05 3.41 -1.26 -4.37 113.62 101.86 2kfs n SER 108 Ca 0.12 -1.65 -0.35 0.00 -0.26 0.00 0.00 58.87 56.73 2kfs n SER 108 Cb 0.33 -0.07 -0.09 0.00 -0.26 0.00 0.00 64.21 64.12 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 -1.70 3.92 -0.15 1.04 2.96 -0.68 -5.00 118.68 119.06 2kfs s LEU 109 Ca 0.34 0.11 -0.01 0.00 -0.22 0.00 0.00 54.13 54.35 2kfs s LEU 109 Cb 0.19 -2.00 0.04 0.00 0.50 0.00 0.00 46.19 44.92 2kfs s LEU 109 CO 0.29 0.17 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.57 2kfs s THR 110 N 0.42 0.86 0.01 3.68 2.01 -1.26 -0.68 115.64 120.68 2kfs s THR 110 Ca 0.04 -0.46 0.03 0.00 0.31 0.00 0.00 61.69 61.62 2kfs s THR 110 Cb -0.12 -1.09 -0.01 0.00 0.01 0.00 0.00 72.50 71.29 2kfs s THR 110 CO -0.00 0.10 -0.10 0.27 -0.69 0.00 0.00 174.62 174.19 2kfs s ILE 111 N 1.74 0.81 -0.04 1.82 -4.36 -0.48 -4.88 121.20 115.83 2kfs s ILE 111 Ca 0.01 -0.63 -0.16 0.00 -0.26 0.00 0.00 60.65 59.61 2kfs s ILE 111 Cb -0.15 -0.72 -0.05 0.00 1.25 0.00 0.00 42.46 42.79 2kfs s ILE 111 CO -0.07 0.09 0.44 0.28 0.24 0.00 0.00 174.94 175.91 2kfs s THR 112 N -0.51 5.06 0.44 8.37 -1.32 -1.26 0.43 115.64 126.85 2kfs s THR 112 Ca 0.02 0.89 -0.15 0.00 -1.21 0.00 0.00 61.69 61.23 2kfs s THR 112 Cb -0.05 -3.76 -0.08 0.00 -1.51 0.00 0.00 72.50 67.10 2kfs s THR 112 CO 0.00 0.49 0.88 -0.13 -2.21 0.00 0.00 174.62 173.66 2kfs s ARG 113 N -0.50 3.96 0.19 7.08 1.81 -1.22 -4.86 118.95 125.41 2kfs s ARG 113 Ca 0.24 0.81 -0.25 0.00 -1.72 0.00 0.00 55.73 54.82 2kfs s ARG 113 Cb -0.16 -2.26 -0.08 0.00 -0.45 0.00 0.00 34.95 32.00 2kfs s ARG 113 CO 0.12 -0.10 0.79 0.16 -0.68 0.00 0.00 175.30 175.59 2kfs s ASP 114 N -2.82 7.36 0.00 0.23 -4.77 -1.26 -2.97 116.67 112.44 2kfs s ASP 114 Ca 0.57 1.65 0.00 0.00 -3.30 0.00 0.00 52.55 51.46 2kfs s ASP 114 Cb -0.10 -2.50 0.00 0.00 -1.09 0.00 0.00 42.92 39.23 2kfs s ASP 114 CO 0.26 0.17 0.00 0.61 0.70 0.00 0.00 175.17 176.91 2kfs n GLY 115 N 1.42 0.70 1.19 2.12 0.00 -1.26 -4.98 105.19 104.38 2kfs n GLY 115 Ca -0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 2kfs n GLY 115 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kfs n SER 116 N 0.00 -0.54 0.00 1.61 2.88 -1.16 -5.09 113.62 111.32 2kfs n SER 116 Ca 0.00 -1.63 0.00 0.00 -1.33 0.00 0.00 58.87 55.91 2kfs n SER 116 Cb 0.00 0.97 0.00 0.00 -0.75 0.00 0.00 64.21 64.43 2kfs n SER 116 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2kfs n ARG 117 N -0.20 2.87 -2.30 -1.46 1.85 -1.26 -4.74 116.66 111.42 2kfs n ARG 117 Ca -0.00 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.45 2kfs n ARG 117 Cb 0.20 -0.66 -0.03 0.00 -1.05 0.00 0.00 32.46 30.93 2kfs n ARG 117 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2kfs s ASP 118 N -1.06 6.89 -0.16 2.89 2.15 -1.26 -4.78 116.67 121.34 2kfs s ASP 118 Ca 0.00 2.43 -0.16 0.00 0.43 0.00 0.00 52.55 55.26 2kfs s ASP 118 Cb 0.00 -2.63 -0.04 0.00 -0.30 0.00 0.00 42.92 39.95 2kfs s ASP 118 CO 0.00 -0.42 0.37 0.00 -0.17 0.00 0.00 175.17 174.95 2kfs s ALA 119 N -1.23 3.55 -0.28 3.66 0.00 -1.26 -3.41 121.76 122.79 2kfs s ALA 119 Ca 0.49 -0.39 -0.17 0.00 0.00 0.00 0.00 51.96 51.90 2kfs s ALA 119 Cb -0.34 -2.53 -0.03 0.00 0.00 0.00 0.00 23.12 20.22 2kfs s ALA 119 CO 0.44 -0.03 0.46 0.08 0.00 0.00 0.00 175.76 176.71 2kfs s VAL 120 N 0.73 5.10 0.05 0.00 1.01 0.17 -4.83 120.40 122.62 2kfs s VAL 120 Ca 0.20 0.64 -0.25 0.00 0.00 0.00 0.00 61.98 62.57 2kfs s VAL 120 Cb -0.14 -3.81 -0.06 0.00 0.00 0.00 0.00 36.38 32.38 2kfs s VAL 120 CO 0.07 0.05 0.77 -0.44 0.00 0.00 0.00 175.10 175.54 2kfs s SER 121 N 1.63 7.22 -0.60 3.32 0.01 -1.26 -1.38 113.70 122.64 2kfs s SER 121 Ca 0.18 1.46 -0.02 0.00 1.31 0.00 0.00 55.95 58.88 2kfs s SER 121 Cb -0.16 -2.47 -0.02 0.00 0.21 0.00 0.00 66.02 63.58 2kfs s SER 121 CO 0.10 0.02 0.54 -3.20 0.41 0.00 0.00 173.24 171.12 2kfs n ASN 122 N 2.75 -5.46 -4.62 2.44 5.15 0.14 -5.00 115.26 110.67 2kfs n ASN 122 Ca -0.03 -0.27 -0.24 0.00 -0.60 0.00 0.00 54.58 53.44 2kfs n ASN 122 Cb 0.50 -3.75 -0.08 0.00 -0.53 0.00 0.00 39.78 35.92 2kfs n ASN 122 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kfs s ALA 123 N -3.14 3.16 0.11 5.20 0.00 -1.23 -4.60 121.76 121.26 2kfs s ALA 123 Ca 0.16 -1.91 -0.27 0.00 0.00 0.00 0.00 51.96 49.94 2kfs s ALA 123 Cb -0.02 -0.42 -0.06 0.00 0.00 0.00 0.00 23.12 22.61 2kfs s ALA 123 CO 0.49 0.11 0.86 -0.98 0.00 0.00 0.00 175.76 176.25 2kfs s ARG 124 N -3.69 4.62 0.47 0.00 1.70 -1.26 -0.34 118.95 120.46 2kfs s ARG 124 Ca 0.34 1.27 0.27 0.00 -0.47 0.00 0.00 55.73 57.13 2kfs s ARG 124 Cb -0.01 -3.34 1.45 0.00 -0.57 0.00 0.00 34.95 32.48 2kfs s ARG 124 CO 0.19 0.34 1.80 -1.35 -1.08 0.00 0.00 175.30 175.19 2kfs h PRO 125 N 5.22 0.00 -0.95 3.89 0.11 -1.73 -1.70 132.00 136.84 2kfs h PRO 125 Ca -0.44 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.68 2kfs h PRO 125 Cb 1.21 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 2kfs h PRO 125 CO 0.70 0.00 0.63 0.28 -0.21 0.00 0.00 178.00 179.40 2kfs h VAL 126 N 0.00 1.24 -0.01 3.15 2.07 -1.91 -1.52 116.25 119.27 2kfs h VAL 126 Ca 0.00 -0.44 -0.11 0.00 0.82 0.00 0.00 66.70 66.97 2kfs h VAL 126 Cb 0.27 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 2kfs h VAL 126 CO 0.00 0.23 -0.51 0.44 0.02 0.00 0.00 177.57 177.76 2kfs h ASP 127 N 1.28 0.03 -0.54 0.57 5.19 -1.63 -3.02 116.42 118.31 2kfs h ASP 127 Ca 0.35 -0.01 -0.09 0.00 -0.62 0.00 0.00 57.03 56.65 2kfs h ASP 127 Cb -0.14 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.34 2kfs h ASP 127 CO -0.08 0.53 -0.02 0.00 -3.12 0.00 0.00 179.24 176.56 2kfs h ALA 128 N 1.47 0.90 -0.18 3.45 0.00 -1.37 -1.21 119.26 122.31 2kfs h ALA 128 Ca -0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 2kfs h ALA 128 Cb 0.91 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2kfs h ALA 128 CO 0.07 0.65 -0.35 1.37 0.00 0.00 0.00 179.25 180.98 2kfs h LEU 129 N 0.91 0.40 -0.60 0.00 8.10 -1.28 0.13 115.31 122.97 2kfs h LEU 129 Ca 0.16 -0.16 -0.07 0.00 0.11 0.00 0.00 57.88 57.92 2kfs h LEU 129 Cb 0.55 -0.11 -0.01 0.00 -0.44 0.00 0.00 40.66 40.65 2kfs h LEU 129 CO 0.03 0.73 -0.36 -0.74 -4.11 0.00 0.00 178.44 173.99 2kfs h HIS 130 N 0.33 0.00 -0.16 0.17 2.76 -1.44 -2.61 115.15 114.20 2kfs h HIS 130 Ca 0.04 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 2kfs h HIS 130 Cb 0.78 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.74 2kfs h HIS 130 CO 0.02 0.36 0.00 0.00 -1.30 0.00 0.00 177.93 177.01 2kfs n ALA 131 N -2.24 2.51 -2.16 5.26 0.00 -0.48 -4.87 120.51 118.53 2kfs n ALA 131 Ca 0.01 -0.37 -0.16 0.00 0.00 0.00 0.00 53.44 52.92 2kfs n ALA 131 Cb 0.57 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.93 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 0.01 -0.64 -1.17 0.00 -0.00 -0.98 -4.85 115.22 107.59 2kfs n HIS 132 Ca 0.11 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.86 2kfs n HIS 132 Cb 0.20 -3.25 0.23 0.00 -0.00 0.00 0.00 29.99 27.17 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 -2.57 2.50 0.02 -0.41 6.02 0.40 -4.71 117.38 118.63 2kfs n GLN 133 Ca -0.19 -2.97 0.22 0.00 -0.01 0.00 0.00 57.00 54.05 2kfs n GLN 133 Cb 0.63 -1.85 0.73 0.00 1.02 0.00 0.00 30.24 30.77 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 1.47 2.36 -0.77 -1.58 0.00 -1.75 -0.61 119.26 118.38 2kfs h ALA 134 Ca 0.11 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.10 2kfs h ALA 134 Cb 1.59 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.36 2kfs h ALA 134 CO 0.32 -0.73 0.51 -0.09 0.00 0.00 0.00 179.25 179.26 2kfs h ARG 135 N 0.00 0.67 -0.52 0.00 1.12 -1.92 0.32 114.38 114.05 2kfs h ARG 135 Ca 0.25 -0.04 -0.10 0.00 -1.11 0.00 0.00 59.98 58.99 2kfs h ARG 135 Cb 1.16 -0.15 -0.02 0.00 -0.01 0.00 0.00 29.97 30.95 2kfs h ARG 135 CO -0.00 0.44 -0.06 0.93 -3.11 0.00 0.00 179.97 178.17 2kfs h GLU 136 N 0.69 0.93 -0.14 0.20 4.39 -1.51 -0.17 114.58 118.97 2kfs h GLU 136 Ca 0.36 -0.30 -0.06 0.00 0.34 0.00 0.00 59.36 59.70 2kfs h GLU 136 Cb 0.47 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2kfs h GLU 136 CO -0.13 0.95 -0.13 0.28 -1.16 0.00 0.00 179.01 178.82 2kfs h VAL 137 N 0.84 1.35 -0.20 3.13 2.07 -1.04 -1.04 116.25 121.35 2kfs h VAL 137 Ca 0.15 -1.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.38 2kfs h VAL 137 Cb 0.58 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 2kfs h VAL 137 CO 0.04 0.37 0.12 0.58 0.02 0.00 0.00 177.57 178.70 2kfs h VAL 138 N -0.04 1.10 -0.62 2.57 2.07 -0.37 0.13 116.25 121.08 2kfs h VAL 138 Ca 0.02 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 2kfs h VAL 138 Cb 0.66 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 2kfs h VAL 138 CO 0.03 0.09 0.19 0.08 0.02 0.00 0.00 177.57 177.99 2kfs h ARG 139 N 0.24 0.95 -0.65 1.57 0.11 -1.01 1.00 114.38 116.58 2kfs h ARG 139 Ca 0.07 -0.18 -0.05 0.00 0.10 0.00 0.00 59.98 59.92 2kfs h ARG 139 Cb 0.04 -0.15 -0.03 0.00 1.11 0.00 0.00 29.97 30.95 2kfs h ARG 139 CO -0.01 0.81 0.22 -0.09 0.10 0.00 0.00 179.97 181.01 2kfs h ARG 140 N 0.92 0.99 -0.47 0.08 9.65 -0.71 0.91 114.38 125.74 2kfs h ARG 140 Ca 0.21 -0.20 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 2kfs h ARG 140 Cb 0.26 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.67 2kfs h ARG 140 CO -0.01 0.85 0.26 0.00 2.80 0.00 0.00 179.97 183.88 2kfs h ALA 141 N 1.09 0.60 -0.66 2.80 0.00 -0.04 0.25 119.26 123.30 2kfs h ALA 141 Ca 0.21 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2kfs h ALA 141 Cb 0.26 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2kfs h ALA 141 CO -0.01 0.11 0.18 1.96 0.00 0.00 0.00 179.25 181.49 2kfs h GLN 142 N 0.62 1.02 -0.10 0.00 4.20 -0.45 -1.14 115.11 119.25 2kfs h GLN 142 Ca 0.17 -0.22 -0.13 0.00 0.06 0.00 0.00 58.65 58.52 2kfs h GLN 142 Cb 0.04 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 2kfs h GLN 142 CO -0.03 0.89 -0.53 0.00 -0.67 0.00 0.00 178.83 178.48 2kfs h ALA 143 N 1.22 0.91 -0.08 3.87 0.00 -0.48 0.87 119.26 125.57 2kfs h ALA 143 Ca 0.21 -0.50 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 2kfs h ALA 143 Cb 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2kfs h ALA 143 CO -0.00 0.68 -0.46 1.98 0.00 0.00 0.00 179.25 181.44 2kfs h MET 144 N 0.21 0.19 0.00 0.00 1.85 -0.47 -3.36 114.93 113.36 2kfs h MET 144 Ca 0.00 -0.10 -0.03 0.00 -0.61 0.00 0.00 59.70 58.96 2kfs h MET 144 Cb 1.01 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.04 2kfs h MET 144 CO 0.08 0.62 -0.78 0.00 -0.40 0.00 0.00 176.91 176.44 2kfs n ALA 145 N -2.47 0.62 0.08 0.39 0.00 -0.48 -5.09 120.51 113.56 2kfs n ALA 145 Ca -0.02 -0.56 0.01 0.00 0.00 0.00 0.00 53.44 52.87 2kfs n ALA 145 Cb 0.51 -0.02 0.01 0.00 0.00 0.00 0.00 19.45 19.95 2kfs n ALA 145 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16