#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfs n PRO 2 N 0.00 0.13 0.00 0.03 -0.04 -1.26 -4.79 135.00 129.07 2kfs n PRO 2 Ca 0.00 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2kfs n PRO 2 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 2kfs n PRO 2 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kfs n GLY 3 N 1.46 0.88 3.77 0.55 0.00 -1.26 -5.05 105.19 105.54 2kfs n GLY 3 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 2kfs n GLY 3 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kfs s ARG 4 N 2.41 4.12 -0.09 1.61 1.70 -1.26 -5.04 118.95 122.41 2kfs s ARG 4 Ca 0.00 1.99 -0.30 0.00 -0.47 0.00 0.00 55.73 56.95 2kfs s ARG 4 Cb 0.00 -2.80 0.08 0.00 -0.57 0.00 0.00 34.95 31.66 2kfs s ARG 4 CO 0.00 -0.31 0.75 0.00 -1.08 0.00 0.00 175.30 174.66 2kfs s ALA 5 N -1.30 -1.81 1.03 7.88 0.00 -1.26 -4.89 121.76 121.42 2kfs s ALA 5 Ca 0.55 1.41 -0.04 0.00 0.00 0.00 0.00 51.96 53.88 2kfs s ALA 5 Cb -0.35 -0.22 0.06 0.00 0.00 0.00 0.00 23.12 22.61 2kfs s ALA 5 CO 0.44 -0.35 0.23 -2.30 0.00 0.00 0.00 175.76 173.78 2kfs n PRO 6 N 0.96 -1.09 -3.64 0.00 -0.02 -1.26 -5.10 135.00 124.86 2kfs n PRO 6 Ca -0.17 -0.37 -0.05 0.00 -2.02 0.00 0.00 63.50 60.89 2kfs n PRO 6 Cb 0.57 -0.31 -0.07 0.00 -0.02 0.00 0.00 33.50 33.67 2kfs n PRO 6 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2kfs s GLY 7 N -3.09 -0.39 -0.18 -1.23 0.00 -1.26 -5.11 107.32 96.07 2kfs s GLY 7 Ca 0.14 2.70 -0.29 0.00 0.00 0.00 0.00 44.72 47.27 2kfs s GLY 7 CO 0.11 2.47 1.27 -0.56 0.00 0.00 0.00 173.10 176.38 2kfs s SER 8 N 1.49 6.91 0.87 1.64 0.01 -1.26 -5.01 113.70 118.35 2kfs s SER 8 Ca -0.09 1.64 -0.13 0.00 1.31 0.00 0.00 55.95 58.68 2kfs s SER 8 Cb -0.04 -2.54 0.14 0.00 0.21 0.00 0.00 66.02 63.79 2kfs s SER 8 CO -0.18 -0.80 1.22 0.28 0.41 0.00 0.00 173.24 174.18 2kfs s THR 9 N 3.60 2.04 0.36 1.44 -1.32 -1.26 -5.06 115.64 115.44 2kfs s THR 9 Ca 0.55 -0.06 -0.09 0.00 -1.21 0.00 0.00 61.69 60.88 2kfs s THR 9 Cb -0.21 -2.97 -0.06 0.00 -1.51 0.00 0.00 72.50 67.74 2kfs s THR 9 CO 0.15 0.00 0.69 -0.76 -2.21 0.00 0.00 174.62 172.50 2kfs s LEU 10 N -5.67 3.93 -0.31 9.08 1.43 -1.26 -5.06 118.68 120.81 2kfs s LEU 10 Ca 0.68 1.01 0.03 0.00 -1.03 0.00 0.00 54.13 54.82 2kfs s LEU 10 Cb -0.07 -3.86 0.08 0.00 0.03 0.00 0.00 46.19 42.37 2kfs s LEU 10 CO 0.50 -0.31 -0.01 0.00 0.23 0.00 0.00 176.35 176.76 2kfs s ALA 11 N -2.24 2.78 -0.81 4.21 0.00 -1.26 -5.06 121.76 119.39 2kfs s ALA 11 Ca 0.49 -2.18 -0.21 0.00 0.00 0.00 0.00 51.96 50.05 2kfs s ALA 11 Cb -0.10 -1.85 0.09 0.00 0.00 0.00 0.00 23.12 21.25 2kfs s ALA 11 CO 0.30 -1.48 1.10 -0.98 0.00 0.00 0.00 175.76 174.70 2kfs s ARG 12 N 1.02 3.36 -0.81 0.00 1.70 -1.26 -4.93 118.95 118.02 2kfs s ARG 12 Ca 0.02 -1.18 -0.02 0.00 -0.47 0.00 0.00 55.73 54.08 2kfs s ARG 12 Cb -0.20 -4.62 0.20 0.00 -0.57 0.00 0.00 34.95 29.76 2kfs s ARG 12 CO -0.06 -1.87 0.67 0.14 -1.08 0.00 0.00 175.30 173.10 2kfs s VAL 13 N 3.77 4.10 -1.14 4.99 -7.23 -1.26 -4.74 120.40 118.89 2kfs s VAL 13 Ca 0.30 -3.67 -0.03 0.00 -1.81 0.00 0.00 61.98 56.76 2kfs s VAL 13 Cb -0.10 -3.58 0.25 0.00 0.56 0.00 0.00 36.38 33.51 2kfs s VAL 13 CO 0.01 -1.03 1.97 0.61 -0.31 0.00 0.00 175.10 176.34 2kfs n GLY 14 N 2.59 5.69 3.69 2.32 0.00 0.76 -4.96 105.19 115.28 2kfs n GLY 14 Ca 0.18 -2.40 -0.42 0.00 0.00 0.00 0.00 46.02 43.37 2kfs n GLY 14 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kfs s SER 15 N -0.75 6.98 -0.24 1.61 1.04 -1.25 -4.05 113.70 117.05 2kfs s SER 15 Ca 0.43 1.92 -0.19 0.00 0.48 0.00 0.00 55.95 58.58 2kfs s SER 15 Cb 0.17 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.70 2kfs s SER 15 CO -0.09 -0.63 0.57 -0.63 0.98 0.00 0.00 173.24 173.44 2kfs s ILE 16 N 2.30 5.04 0.65 -1.02 -1.09 -1.23 -4.96 121.20 120.90 2kfs s ILE 16 Ca 0.59 1.02 -0.18 0.00 -2.23 0.00 0.00 60.65 59.85 2kfs s ILE 16 Cb -0.27 -3.88 -0.01 0.00 -1.58 0.00 0.00 42.46 36.72 2kfs s ILE 16 CO 0.23 0.09 1.29 -2.84 -1.23 0.00 0.00 174.94 172.49 2kfs s PRO 17 N 2.17 2.52 0.03 2.79 0.02 -1.26 -4.77 135.00 136.50 2kfs s PRO 17 Ca 0.24 2.05 -0.27 0.00 0.02 0.00 0.00 61.00 63.05 2kfs s PRO 17 Cb -0.16 -1.84 -0.05 0.00 0.02 0.00 0.00 34.50 32.48 2kfs s PRO 17 CO 0.09 -1.62 0.84 0.00 -0.33 0.00 0.00 177.00 175.98 2kfs s ALA 18 N -1.42 3.29 0.00 -1.55 0.00 -1.26 -4.79 121.76 116.03 2kfs s ALA 18 Ca 0.82 0.38 0.00 0.00 0.00 0.00 0.00 51.96 53.16 2kfs s ALA 18 Cb -0.37 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 19.62 2kfs s ALA 18 CO 0.40 -0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.52 2kfs n GLY 19 N 2.59 0.44 3.33 0.00 0.00 -1.25 -4.68 105.19 105.61 2kfs n GLY 19 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 2kfs n GLY 19 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kfs s ASP 20 N -0.96 3.12 0.26 1.61 1.01 -1.26 -2.02 116.67 118.43 2kfs s ASP 20 Ca 0.00 -0.53 -0.29 0.00 0.71 0.00 0.00 52.55 52.44 2kfs s ASP 20 Cb 0.00 -0.32 -0.09 0.00 1.01 0.00 0.00 42.92 43.51 2kfs s ASP 20 CO 0.00 0.29 1.25 1.51 0.21 0.00 0.00 175.17 178.43 2kfs s ASP 21 N -0.93 6.95 -0.00 0.27 1.47 -0.92 -4.44 116.67 119.06 2kfs s ASP 21 Ca 0.11 2.46 0.05 0.00 1.18 0.00 0.00 52.55 56.35 2kfs s ASP 21 Cb -0.10 -2.63 -0.06 0.00 -0.34 0.00 0.00 42.92 39.79 2kfs s ASP 21 CO 0.01 -0.43 0.17 0.52 0.68 0.00 0.00 175.17 176.11 2kfs n VAL 22 N 1.66 0.00 -1.79 2.11 0.31 -1.26 -5.00 118.33 114.36 2kfs n VAL 22 Ca 0.02 -0.29 -0.30 0.00 -0.01 0.00 0.00 64.34 63.77 2kfs n VAL 22 Cb 0.43 0.77 0.17 0.00 -0.91 0.00 0.00 33.84 34.31 2kfs n VAL 22 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 2kfs s LEU 23 N -2.64 2.38 -0.07 7.52 0.05 -1.26 -4.96 118.68 119.69 2kfs s LEU 23 Ca 0.00 0.45 -0.24 0.00 0.05 0.00 0.00 54.13 54.40 2kfs s LEU 23 Cb 0.03 -2.56 -0.03 0.00 -2.05 0.00 0.00 46.19 41.58 2kfs s LEU 23 CO 0.20 -2.75 0.73 -0.62 -0.55 0.00 0.00 176.35 173.36 2kfs s ASP 24 N -4.65 7.01 0.65 1.48 -1.08 -1.26 -4.91 116.67 113.91 2kfs s ASP 24 Ca 0.71 1.22 0.25 0.00 -0.52 0.00 0.00 52.55 54.20 2kfs s ASP 24 Cb -0.07 -2.43 1.33 0.00 -1.46 0.00 0.00 42.92 40.30 2kfs s ASP 24 CO 0.53 -0.14 1.75 -0.65 0.52 0.00 0.00 175.17 177.17 2kfs h PRO 25 N 6.81 0.00 0.00 4.34 0.11 -1.96 0.17 132.00 141.46 2kfs h PRO 25 Ca -0.40 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.68 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 0.76 0.00 -0.12 0.22 -0.21 0.00 0.00 178.00 178.65 2kfs h ASP 26 N 0.00 0.00 -4.17 -2.05 3.58 -2.05 -3.47 116.42 108.27 2kfs h ASP 26 Ca 0.05 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.98 2kfs h ASP 26 Cb 1.04 0.00 0.12 0.00 1.72 0.00 0.00 39.33 42.21 2kfs h ASP 26 CO -0.00 0.12 0.40 -1.61 -2.88 0.00 0.00 179.24 175.26 2kfs s GLU 27 N -3.19 2.59 -0.27 0.28 2.02 0.58 -4.86 118.70 115.86 2kfs s GLU 27 Ca 0.06 1.62 -0.35 0.00 0.02 0.00 0.00 54.97 56.32 2kfs s GLU 27 Cb 0.06 -1.90 -0.11 0.00 0.10 0.00 0.00 34.13 32.27 2kfs s GLU 27 CO 0.68 -1.46 2.06 -2.30 0.02 0.00 0.00 175.26 174.26 2kfs n PRO 28 N -2.35 1.44 -4.62 0.39 -0.02 -1.26 -4.94 135.00 123.63 2kfs n PRO 28 Ca 0.12 0.45 -0.29 0.00 -2.02 0.00 0.00 63.50 61.76 2kfs n PRO 28 Cb 0.51 -2.54 -0.07 0.00 -0.02 0.00 0.00 33.50 31.37 2kfs n PRO 28 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2kfs n THR 29 N 6.45 0.00 -4.29 3.45 -2.24 -1.26 -1.91 114.28 114.48 2kfs n THR 29 Ca 0.34 -2.49 -0.16 0.00 -2.27 0.00 0.00 64.05 59.47 2kfs n THR 29 Cb 0.25 0.74 -0.10 0.00 -2.10 0.00 0.00 70.33 69.12 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 -3.06 1.42 0.17 4.78 2.02 0.11 -4.50 117.35 118.30 2kfs s TYR 30 Ca 0.13 -0.75 0.03 0.00 -0.37 0.00 0.00 57.07 56.12 2kfs s TYR 30 Cb 0.01 -0.73 -0.05 0.00 -0.40 0.00 0.00 41.96 40.79 2kfs s TYR 30 CO 0.09 0.12 -0.04 -0.51 -1.57 0.00 0.00 175.55 173.65 2kfs s ASP 31 N -3.23 1.54 0.19 2.29 1.11 -1.26 -1.05 116.67 116.25 2kfs s ASP 31 Ca 0.20 -1.12 -0.24 0.00 0.18 0.00 0.00 52.55 51.58 2kfs s ASP 31 Cb 0.02 0.05 0.09 0.00 1.07 0.00 0.00 42.92 44.15 2kfs s ASP 31 CO 0.03 -0.47 1.56 -0.07 1.18 0.00 0.00 175.17 177.41 2kfs h LEU 32 N 2.69 -1.52 -1.07 1.23 3.38 -1.95 0.43 115.31 118.50 2kfs h LEU 32 Ca -0.37 0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 2kfs h LEU 32 Cb 1.20 0.72 -0.02 0.00 0.09 0.00 0.00 40.66 42.65 2kfs h LEU 32 CO 0.64 -0.31 0.12 1.55 0.09 0.00 0.00 178.44 180.52 2kfs h PRO 33 N -0.14 0.78 -0.15 1.13 0.13 -1.97 -2.27 132.00 129.51 2kfs h PRO 33 Ca 0.23 -0.16 -0.14 0.00 -0.87 0.00 0.00 66.00 65.06 2kfs h PRO 33 Cb 0.55 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 2kfs h PRO 33 CO -0.79 0.71 -0.50 -0.09 -0.23 0.00 0.00 178.00 177.09 2kfs h ARG 34 N 0.75 0.40 -0.35 0.86 9.65 -1.32 0.05 114.38 124.43 2kfs h ARG 34 Ca 0.17 -0.23 -0.13 0.00 -1.10 0.00 0.00 59.98 58.69 2kfs h ARG 34 Cb 0.29 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.88 2kfs h ARG 34 CO -0.00 0.81 -0.27 0.28 2.80 0.00 0.00 179.97 183.59 2kfs h VAL 35 N 0.32 1.29 -0.94 0.20 2.07 -0.06 -0.32 116.25 118.80 2kfs h VAL 35 Ca 0.01 -1.43 0.02 0.00 0.82 0.00 0.00 66.70 66.13 2kfs h VAL 35 Cb 1.00 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 32.14 2kfs h VAL 35 CO 0.09 0.47 0.62 0.00 0.02 0.00 0.00 177.57 178.77 2kfs h ALA 36 N 0.76 1.36 -0.27 1.67 0.00 -1.13 -0.07 119.26 121.57 2kfs h ALA 36 Ca 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2kfs h ALA 36 Cb 0.84 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2kfs h ALA 36 CO 0.07 0.58 0.08 1.49 0.00 0.00 0.00 179.25 181.47 2kfs h GLU 37 N 1.24 0.43 -0.18 0.00 4.81 -0.67 0.12 114.58 120.33 2kfs h GLU 37 Ca 0.36 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.47 2kfs h GLU 37 Cb -0.08 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 2kfs h GLU 37 CO -0.09 0.49 0.03 1.25 -0.73 0.00 0.00 179.01 179.96 2kfs h LEU 38 N 0.28 0.30 0.00 1.64 5.85 -0.40 -2.84 115.31 120.13 2kfs h LEU 38 Ca 0.09 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.54 2kfs h LEU 38 Cb 0.25 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.20 2kfs h LEU 38 CO -0.00 0.49 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.38 2kfs h LEU 39 N 0.09 0.00 0.70 2.25 3.38 -1.06 -3.47 115.31 117.20 2kfs h LEU 39 Ca 0.06 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 2kfs h LEU 39 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2kfs h LEU 39 CO 0.00 0.01 -0.13 0.61 0.09 0.00 0.00 178.44 179.03 2kfs n GLY 40 N 1.21 0.19 3.50 0.83 0.00 0.26 -5.04 105.19 106.14 2kfs n GLY 40 Ca 0.04 -0.68 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.25 2.10 0.77 1.61 -7.23 -0.26 -5.01 120.40 110.12 2kfs s VAL 41 Ca 0.00 -2.21 -0.12 0.00 -1.81 0.00 0.00 61.98 57.84 2kfs s VAL 41 Cb 0.00 -2.53 0.05 0.00 0.56 0.00 0.00 36.38 34.46 2kfs s VAL 41 CO 0.00 -0.26 1.11 -2.16 -0.31 0.00 0.00 175.10 173.47 2kfs s PRO 42 N -3.63 2.30 0.46 4.82 0.04 -1.26 -4.41 135.00 133.31 2kfs s PRO 42 Ca 0.31 0.50 0.15 0.00 0.04 0.00 0.00 61.00 62.00 2kfs s PRO 42 Cb 0.02 -1.95 1.10 0.00 0.04 0.00 0.00 34.50 33.70 2kfs s PRO 42 CO 0.15 -1.44 2.03 0.28 0.04 0.00 0.00 177.00 178.06 2kfs h VAL 43 N -0.95 0.93 -0.69 -0.36 2.07 -1.94 -1.13 116.25 114.17 2kfs h VAL 43 Ca -0.46 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.01 2kfs h VAL 43 Cb 1.27 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 2kfs h VAL 43 CO 0.62 0.05 0.40 -1.28 0.02 0.00 0.00 177.57 177.38 2kfs h SER 44 N 0.30 0.61 0.26 0.57 0.87 -1.99 0.39 113.55 114.55 2kfs h SER 44 Ca 0.20 0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.67 2kfs h SER 44 Cb 0.39 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 2kfs h SER 44 CO -0.04 0.39 -0.45 0.11 -0.53 0.00 0.00 176.83 176.32 2kfs h LYS 45 N 0.74 0.24 -0.73 2.24 1.57 -1.58 -1.15 116.57 117.90 2kfs h LYS 45 Ca 0.30 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 2kfs h LYS 45 Cb 0.16 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 2kfs h LYS 45 CO -0.17 0.64 0.41 0.28 -0.57 0.00 0.00 179.45 180.04 2kfs h VAL 46 N 0.20 1.22 -0.61 0.50 2.07 -1.00 0.36 116.25 118.98 2kfs h VAL 46 Ca 0.01 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 2kfs h VAL 46 Cb 0.87 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2kfs h VAL 46 CO 0.07 0.24 0.24 0.00 0.02 0.00 0.00 177.57 178.14 2kfs h ALA 47 N 1.21 1.28 -0.35 1.67 0.00 -0.48 -2.24 119.26 120.36 2kfs h ALA 47 Ca 0.26 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 2kfs h ALA 47 Cb 0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2kfs h ALA 47 CO -0.04 0.53 -0.17 1.96 0.00 0.00 0.00 179.25 181.53 2kfs h GLN 48 N 0.87 0.63 -0.43 0.00 4.20 -0.14 -0.73 115.11 119.52 2kfs h GLN 48 Ca 0.21 -0.22 0.03 0.00 0.06 0.00 0.00 58.65 58.72 2kfs h GLN 48 Cb 0.17 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 2kfs h GLN 48 CO -0.02 0.77 0.24 1.96 -0.67 0.00 0.00 178.83 181.11 2kfs h GLN 49 N 0.57 0.46 -0.75 1.46 1.08 -0.38 0.12 115.11 117.68 2kfs h GLN 49 Ca 0.09 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.23 2kfs h GLN 49 Cb 0.61 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.90 2kfs h GLN 49 CO 0.04 0.30 0.33 -0.07 -0.95 0.00 0.00 178.83 178.48 2kfs h LEU 50 N 0.47 1.00 -1.25 1.46 -0.00 -1.16 -2.24 115.31 113.59 2kfs h LEU 50 Ca 0.18 -0.13 -0.02 0.00 -0.00 0.00 0.00 57.88 57.90 2kfs h LEU 50 Cb 0.05 -0.26 -0.00 0.00 -0.00 0.00 0.00 40.66 40.45 2kfs h LEU 50 CO -0.10 0.87 -0.11 0.03 -0.00 0.00 0.00 178.44 179.13 2kfs h ARG 51 N 1.08 0.00 0.00 1.13 3.08 0.13 -2.04 114.38 117.76 2kfs h ARG 51 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 2kfs h ARG 51 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2kfs h ARG 51 CO -0.03 0.11 -0.34 0.39 -1.07 0.00 0.00 179.97 179.03 2kfs n GLU 52 N -3.25 0.20 -1.92 0.04 -0.58 0.30 -0.17 120.64 115.26 2kfs n GLU 52 Ca 0.00 0.10 -0.13 0.00 -0.42 0.00 0.00 57.16 56.71 2kfs n GLU 52 Cb 0.37 -1.66 -0.02 0.00 -0.57 0.00 0.00 31.44 29.55 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 1.38 0.40 0.08 0.62 0.00 -0.77 -4.88 105.19 102.02 2kfs n GLY 53 Ca 0.05 -0.38 0.10 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.50 0.00 -3.54 1.61 -0.00 -1.01 -4.81 115.22 103.96 2kfs n HIS 54 Ca -0.14 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.42 2kfs n HIS 54 Cb 0.54 -0.04 -0.05 0.00 -0.00 0.00 0.00 29.99 30.44 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 -2.91 -0.37 0.11 0.27 2.96 -1.24 -4.20 118.68 113.30 2kfs s LEU 55 Ca 0.10 0.43 0.03 0.00 -0.22 0.00 0.00 54.13 54.48 2kfs s LEU 55 Cb 0.17 2.34 -0.04 0.00 0.50 0.00 0.00 46.19 49.15 2kfs s LEU 55 CO 0.80 -0.67 -0.09 0.54 -1.32 0.00 0.00 176.35 175.60 2kfs s VAL 56 N -1.86 0.95 0.19 1.68 0.11 -1.26 -4.23 120.40 115.98 2kfs s VAL 56 Ca -0.08 -1.85 0.05 0.00 -2.93 0.00 0.00 61.98 57.17 2kfs s VAL 56 Cb -0.01 -1.60 -0.05 0.00 -1.53 0.00 0.00 36.38 33.20 2kfs s VAL 56 CO 0.03 -0.70 -0.08 0.00 -3.33 0.00 0.00 175.10 171.03 2kfs s ALA 57 N -3.03 1.74 0.24 1.54 0.00 -1.26 -4.80 121.76 116.19 2kfs s ALA 57 Ca 0.11 -1.64 0.02 0.00 0.00 0.00 0.00 51.96 50.45 2kfs s ALA 57 Cb 0.01 0.16 -0.05 0.00 0.00 0.00 0.00 23.12 23.24 2kfs s ALA 57 CO -0.01 -0.11 0.04 0.14 0.00 0.00 0.00 175.76 175.82 2kfs s VAL 58 N -3.26 0.82 -0.08 0.00 -7.23 0.11 -3.88 120.40 106.88 2kfs s VAL 58 Ca 0.22 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 2kfs s VAL 58 Cb 0.03 -2.47 -0.03 0.00 0.56 0.00 0.00 36.38 34.47 2kfs s VAL 58 CO 0.05 -0.19 -0.06 -0.13 -0.31 0.00 0.00 175.10 174.46 2kfs s ARG 59 N -3.94 2.84 -0.12 4.82 0.52 -0.86 -0.17 118.95 122.05 2kfs s ARG 59 Ca 0.32 -0.53 -0.00 0.00 -0.52 0.00 0.00 55.73 55.00 2kfs s ARG 59 Cb 0.07 -2.64 0.02 0.00 0.52 0.00 0.00 34.95 32.92 2kfs s ARG 59 CO 0.11 0.64 -0.09 -0.98 0.02 0.00 0.00 175.30 174.99 2kfs s ARG 60 N -0.74 1.70 -1.38 3.54 1.70 0.81 -2.17 118.95 122.41 2kfs s ARG 60 Ca 0.11 -0.32 0.00 0.00 -0.47 0.00 0.00 55.73 55.05 2kfs s ARG 60 Cb -0.11 -1.70 0.00 0.00 -0.57 0.00 0.00 34.95 32.57 2kfs s ARG 60 CO 0.02 -0.26 0.00 0.00 -1.08 0.00 0.00 175.30 173.98 2kfs n ALA 61 N 4.90 -0.20 0.00 7.88 0.00 -1.26 -0.42 120.51 131.42 2kfs n ALA 61 Ca -0.13 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2kfs n ALA 61 Cb 0.50 -1.73 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 -0.28 0.27 3.91 0.00 0.00 -1.26 -5.08 105.19 102.75 2kfs n GLY 62 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.70 2.06 -0.26 -0.02 0.00 0.45 -5.03 107.32 102.81 2kfs s GLY 63 Ca 0.00 -0.64 -0.14 0.00 0.00 0.00 0.00 44.72 43.94 2kfs s GLY 63 CO 0.00 -0.57 0.34 0.14 0.00 0.00 0.00 173.10 173.00 2kfs s VAL 64 N -1.76 5.21 0.12 1.40 1.01 -1.26 -0.14 120.40 124.98 2kfs s VAL 64 Ca 0.41 0.50 0.03 0.00 0.00 0.00 0.00 61.98 62.91 2kfs s VAL 64 Cb -0.12 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 2kfs s VAL 64 CO 0.26 0.19 -0.07 0.68 0.00 0.00 0.00 175.10 176.17 2kfs s VAL 65 N 1.87 0.83 -0.08 2.92 -7.23 0.76 -3.23 120.40 116.25 2kfs s VAL 65 Ca 0.14 -1.98 0.02 0.00 -1.81 0.00 0.00 61.98 58.35 2kfs s VAL 65 Cb -0.16 -1.78 0.01 0.00 0.56 0.00 0.00 36.38 35.02 2kfs s VAL 65 CO 0.09 -0.80 -0.14 -0.63 -0.31 0.00 0.00 175.10 173.32 2kfs s ILE 66 N -3.54 1.28 0.27 -0.62 1.01 -0.22 -0.71 121.20 118.67 2kfs s ILE 66 Ca 0.14 -0.55 -0.31 0.00 0.00 0.00 0.00 60.65 59.94 2kfs s ILE 66 Cb 0.05 -1.17 -0.12 0.00 0.01 0.00 0.00 42.46 41.23 2kfs s ILE 66 CO -0.02 0.39 1.61 -2.65 0.00 0.00 0.00 174.94 174.26 2kfs n PRO 67 N 3.89 2.66 0.27 2.79 -0.02 -1.26 0.05 135.00 143.37 2kfs n PRO 67 Ca -0.21 0.95 0.13 0.00 -2.02 0.00 0.00 63.50 62.34 2kfs n PRO 67 Cb 0.52 -2.73 0.78 0.00 -0.02 0.00 0.00 33.50 32.04 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 5.15 0.00 0.00 -0.52 4.15 -1.61 -1.17 115.11 121.11 2kfs h GLN 68 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.96 2kfs h GLN 68 Cb 1.22 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.91 2kfs h GLN 68 CO 0.82 0.08 0.00 1.33 -1.93 0.00 0.00 178.83 179.13 2kfs n VAL 69 N -3.76 0.46 1.38 2.39 0.24 -1.26 -1.62 118.33 116.16 2kfs n VAL 69 Ca -0.02 0.11 0.14 0.00 -2.04 0.00 0.00 64.34 62.53 2kfs n VAL 69 Cb 0.18 -0.83 0.51 0.00 -1.47 0.00 0.00 33.84 32.23 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 -1.26 0.00 -4.52 6.34 3.01 -0.44 -4.82 117.46 115.76 2kfs n PHE 70 Ca 0.08 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.25 2kfs n PHE 70 Cb 0.13 -0.12 -0.13 0.00 -0.01 0.00 0.00 39.48 39.35 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 -2.39 2.30 0.83 1.38 0.08 -0.64 -3.03 117.98 116.51 2kfs s PHE 71 Ca 0.29 -0.39 -0.10 0.00 0.12 0.00 0.00 56.93 56.85 2kfs s PHE 71 Cb 0.20 -1.28 0.14 0.00 -0.57 0.00 0.00 43.02 41.51 2kfs s PHE 71 CO 0.47 0.28 1.17 0.95 -0.10 0.00 0.00 175.22 177.98 2kfs s THR 72 N -1.00 2.09 -0.01 0.64 -4.23 0.90 -4.90 115.64 109.14 2kfs s THR 72 Ca 0.13 -0.18 0.31 0.00 -1.18 0.00 0.00 61.69 60.77 2kfs s THR 72 Cb -0.10 -2.91 0.34 0.00 1.34 0.00 0.00 72.50 71.17 2kfs s THR 72 CO 0.05 0.00 1.94 -1.13 -0.54 0.00 0.00 174.62 174.93 2kfs h ASN 73 N -1.10 0.00 0.69 3.99 -1.24 -1.95 -0.39 115.58 115.58 2kfs h ASN 73 Ca -0.43 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.58 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 0.47 0.00 0.00 -1.20 -1.29 0.00 0.00 177.43 175.41 2kfs n SER 74 N -2.76 0.00 -0.27 1.15 7.64 -1.26 -4.89 113.62 113.23 2kfs n SER 74 Ca 0.00 0.07 -0.03 0.00 1.01 0.00 0.00 58.87 59.93 2kfs n SER 74 Cb 0.22 -0.36 -0.00 0.00 -1.01 0.00 0.00 64.21 63.06 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 1.29 0.34 3.50 0.23 0.00 -0.16 -5.04 105.19 105.35 2kfs n GLY 75 Ca 0.12 -0.83 -0.24 0.00 0.00 0.00 0.00 46.02 45.07 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 -3.66 1.71 0.31 1.61 -1.52 -1.26 -4.63 119.66 112.23 2kfs s GLN 76 Ca 0.00 -1.90 -0.28 0.00 -1.95 0.00 0.00 55.36 51.24 2kfs s GLN 76 Cb 0.00 -1.40 -0.09 0.00 -0.22 0.00 0.00 33.01 31.30 2kfs s GLN 76 CO 0.00 0.04 1.05 0.08 -0.25 0.00 0.00 175.29 176.21 2kfs s VAL 77 N -2.85 3.70 0.20 1.09 1.01 -1.26 -0.07 120.40 122.22 2kfs s VAL 77 Ca 0.32 1.56 -0.31 0.00 0.00 0.00 0.00 61.98 63.55 2kfs s VAL 77 Cb 0.05 -3.93 -0.11 0.00 0.00 0.00 0.00 36.38 32.38 2kfs s VAL 77 CO 0.15 0.26 1.62 -0.69 0.00 0.00 0.00 175.10 176.43 2kfs s VAL 78 N -1.35 2.37 0.39 2.92 1.01 -1.17 -4.78 120.40 119.79 2kfs s VAL 78 Ca 0.48 0.27 0.28 0.00 0.00 0.00 0.00 61.98 63.01 2kfs s VAL 78 Cb -0.27 -3.17 0.30 0.00 0.00 0.00 0.00 36.38 33.23 2kfs s VAL 78 CO 0.34 0.02 2.06 0.07 0.00 0.00 0.00 175.10 177.60 2kfs h LYS 79 N 6.51 0.00 -0.02 2.72 2.10 -1.95 -1.64 116.57 124.29 2kfs h LYS 79 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 2kfs h LYS 79 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 2kfs h LYS 79 CO 0.91 0.12 -0.13 -1.13 -2.00 0.00 0.00 179.45 177.22 2kfs n SER 80 N -3.60 1.66 0.02 7.07 3.41 -1.26 -4.37 113.62 116.56 2kfs n SER 80 Ca -0.02 -1.40 -0.13 0.00 -0.26 0.00 0.00 58.87 57.07 2kfs n SER 80 Cb 0.25 0.09 -0.09 0.00 -0.26 0.00 0.00 64.21 64.21 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 2.40 -0.03 -2.03 1.04 6.46 -1.67 -2.42 115.31 119.06 2kfs h LEU 81 Ca 0.00 -0.26 0.06 0.00 -0.12 0.00 0.00 57.88 57.56 2kfs h LEU 81 Cb 0.61 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.54 2kfs h LEU 81 CO 0.00 0.24 0.16 1.55 -0.62 0.00 0.00 178.44 179.77 2kfs h PRO 82 N -0.31 0.00 -0.40 5.25 0.13 -1.75 -1.87 132.00 133.06 2kfs h PRO 82 Ca -0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.08 2kfs h PRO 82 Cb 0.29 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.40 2kfs h PRO 82 CO 0.01 0.00 0.08 0.78 -0.23 0.00 0.00 178.00 178.64 2kfs h GLY 83 N 0.00 0.70 1.10 1.56 0.00 -1.71 -0.17 103.07 104.54 2kfs h GLY 83 Ca 0.10 -0.45 -0.11 0.00 0.00 0.00 0.00 47.33 46.87 2kfs h GLY 83 CO -0.00 0.42 -0.09 0.17 0.00 0.00 0.00 176.54 177.04 2kfs h LEU 84 N 0.50 1.05 -0.96 3.11 8.10 -0.89 -1.81 115.31 124.42 2kfs h LEU 84 Ca 0.12 -0.34 -0.05 0.00 0.11 0.00 0.00 57.88 57.72 2kfs h LEU 84 Cb 0.34 -0.29 -0.03 0.00 -0.44 0.00 0.00 40.66 40.25 2kfs h LEU 84 CO 0.00 1.15 0.18 -0.07 -4.11 0.00 0.00 178.44 175.59 2kfs h LEU 85 N 0.94 0.87 -0.36 0.17 3.38 -1.24 -1.57 115.31 117.50 2kfs h LEU 85 Ca 0.15 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2kfs h LEU 85 Cb 0.66 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2kfs h LEU 85 CO 0.05 0.83 -0.08 0.74 0.09 0.00 0.00 178.44 180.06 2kfs h THR 86 N 0.91 1.28 -0.40 0.22 2.02 -0.59 0.14 112.91 116.49 2kfs h THR 86 Ca 0.20 -1.15 -0.10 0.00 0.77 0.00 0.00 66.41 66.13 2kfs h THR 86 Cb 0.27 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 2kfs h THR 86 CO -0.01 0.38 -0.16 -0.29 0.37 0.00 0.00 175.52 175.81 2kfs h ILE 87 N 0.49 1.28 -0.27 3.11 -0.00 -1.15 -2.36 117.51 118.60 2kfs h ILE 87 Ca 0.09 -1.29 -0.09 0.00 -0.00 0.00 0.00 64.86 63.58 2kfs h ILE 87 Cb 0.59 1.27 -0.01 0.00 -0.00 0.00 0.00 36.82 38.67 2kfs h ILE 87 CO 0.04 0.43 -0.21 -0.07 -0.00 0.00 0.00 178.15 178.34 2kfs h LEU 88 N 0.62 0.48 -1.49 2.19 -0.00 -1.23 -2.31 115.31 113.58 2kfs h LEU 88 Ca 0.09 -0.15 0.01 0.00 -0.00 0.00 0.00 57.88 57.84 2kfs h LEU 88 Cb 0.71 -0.13 -0.03 0.00 -0.00 0.00 0.00 40.66 41.21 2kfs h LEU 88 CO 0.05 0.70 0.36 -0.74 -0.00 0.00 0.00 178.44 178.81 2kfs h HIS 89 N 0.44 0.65 -0.08 1.13 2.76 -0.49 -0.36 115.15 119.19 2kfs h HIS 89 Ca 0.07 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.19 2kfs h HIS 89 Cb 0.61 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.34 2kfs h HIS 89 CO 0.02 0.40 -0.26 0.22 -1.30 0.00 0.00 177.93 177.01 2kfs h ASP 90 N 0.69 0.14 0.62 3.26 3.58 -0.89 -2.21 116.42 121.63 2kfs h ASP 90 Ca 0.20 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.61 2kfs h ASP 90 Cb -0.03 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 40.98 2kfs h ASP 90 CO -0.05 0.41 -0.30 0.61 -2.88 0.00 0.00 179.24 177.03 2kfs n GLY 91 N -0.64 -1.26 1.86 -0.78 0.00 -0.29 -4.93 105.19 99.14 2kfs n GLY 91 Ca -0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 46.02 45.72 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 3.76 -0.02 0.00 -0.35 -5.03 105.19 105.59 2kfs n GLY 92 Ca 0.07 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.58 3.50 0.77 1.61 2.02 -0.66 -5.02 117.35 116.99 2kfs s TYR 93 Ca 0.03 0.58 -0.09 0.00 -0.37 0.00 0.00 57.07 57.22 2kfs s TYR 93 Cb -0.01 -2.24 0.09 0.00 -0.40 0.00 0.00 41.96 39.40 2kfs s TYR 93 CO 0.03 0.37 1.11 -0.98 -1.57 0.00 0.00 175.55 174.52 2kfs s ARG 94 N 0.03 1.88 0.27 -0.62 1.70 -1.26 -4.53 118.95 116.42 2kfs s ARG 94 Ca 0.16 -0.21 0.00 0.00 -0.47 0.00 0.00 55.73 55.20 2kfs s ARG 94 Cb -0.13 -2.07 0.53 0.00 -0.57 0.00 0.00 34.95 32.72 2kfs s ARG 94 CO 0.04 -1.53 1.81 0.38 -1.08 0.00 0.00 175.30 174.92 2kfs h ASP 95 N -0.88 0.79 -0.78 -2.89 2.03 -1.91 -0.68 116.42 112.09 2kfs h ASP 95 Ca -0.44 0.06 -0.02 0.00 -0.73 0.00 0.00 57.03 55.90 2kfs h ASP 95 Cb 1.31 -0.09 -0.04 0.00 -0.83 0.00 0.00 39.33 39.68 2kfs h ASP 95 CO 0.58 0.40 0.41 0.74 -1.03 0.00 0.00 179.24 180.34 2kfs h THR 96 N 0.86 1.24 -0.39 1.15 2.02 -1.92 -0.39 112.91 115.47 2kfs h THR 96 Ca 0.48 -0.62 -0.09 0.00 0.77 0.00 0.00 66.41 66.95 2kfs h THR 96 Cb 0.53 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 2kfs h THR 96 CO -0.29 0.27 -0.12 -0.33 0.37 0.00 0.00 175.52 175.42 2kfs h GLU 97 N 1.09 0.70 -0.20 6.66 4.39 -1.50 -0.53 114.58 125.19 2kfs h GLU 97 Ca 0.27 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 2kfs h GLU 97 Cb 0.06 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2kfs h GLU 97 CO -0.04 0.80 0.10 0.82 -1.16 0.00 0.00 179.01 179.53 2kfs h ILE 98 N 0.64 1.12 0.00 3.13 1.08 -0.57 -2.07 117.51 120.84 2kfs h ILE 98 Ca 0.11 -0.35 -0.03 0.00 -0.39 0.00 0.00 64.86 64.20 2kfs h ILE 98 Cb 0.58 1.00 -0.00 0.00 -3.07 0.00 0.00 36.82 35.32 2kfs h ILE 98 CO 0.04 0.12 -0.16 0.24 -0.69 0.00 0.00 178.15 177.69 2kfs h MET 99 N 0.20 0.00 0.60 2.37 2.86 -0.91 -2.58 114.93 117.47 2kfs h MET 99 Ca 0.07 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.68 2kfs h MET 99 Cb 0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.76 2kfs h MET 99 CO -0.01 0.16 -0.33 -0.09 1.06 0.00 0.00 176.91 177.71 2kfs h ARG 100 N 0.00 -0.82 -0.21 1.72 2.43 -0.35 -1.89 114.38 115.26 2kfs h ARG 100 Ca -0.00 0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 59.09 2kfs h ARG 100 Cb 0.58 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 2kfs h ARG 100 CO 0.02 -0.55 -0.42 0.11 -1.51 0.00 0.00 179.97 177.62 2kfs h TRP 101 N -0.85 0.61 -0.88 2.20 5.08 -1.57 -3.12 115.95 117.41 2kfs h TRP 101 Ca -0.08 -0.18 0.05 0.00 1.08 0.00 0.00 58.89 59.76 2kfs h TRP 101 Cb 0.67 -0.13 -0.06 0.00 -3.00 0.00 0.00 29.16 26.64 2kfs h TRP 101 CO 0.02 0.85 0.56 -0.07 -1.28 0.00 0.00 178.44 178.52 2kfs h LEU 102 N 0.42 0.90 -0.67 0.11 3.38 -1.39 -2.80 115.31 115.26 2kfs h LEU 102 Ca 0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2kfs h LEU 102 Cb 0.92 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2kfs h LEU 102 CO 0.08 0.60 -0.53 0.49 0.09 0.00 0.00 178.44 179.17 2kfs n PHE 103 N -4.57 0.00 -3.01 1.13 3.72 -0.72 -2.76 117.46 111.25 2kfs n PHE 103 Ca 0.12 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.11 2kfs n PHE 103 Cb 0.14 -0.04 -0.05 0.00 -0.94 0.00 0.00 39.48 38.59 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 -2.60 4.93 0.15 4.37 2.01 -1.06 -4.92 115.64 118.51 2kfs s THR 104 Ca 0.17 1.35 -0.31 0.00 0.31 0.00 0.00 61.69 63.21 2kfs s THR 104 Cb 0.18 -4.02 -0.10 0.00 0.01 0.00 0.00 72.50 68.57 2kfs s THR 104 CO 0.62 0.01 1.60 -2.84 -0.69 0.00 0.00 174.62 173.33 2kfs s PRO 105 N 2.44 4.20 -0.25 4.92 0.02 -1.26 -4.41 135.00 140.66 2kfs s PRO 105 Ca 0.31 2.38 -0.08 0.00 0.02 0.00 0.00 61.00 63.64 2kfs s PRO 105 Cb -0.16 -3.25 -0.03 0.00 0.02 0.00 0.00 34.50 31.09 2kfs s PRO 105 CO 0.09 -0.65 0.08 0.34 -0.33 0.00 0.00 177.00 176.53 2kfs s ASP 106 N 1.44 5.24 0.62 2.53 2.15 -0.98 -4.90 116.67 122.77 2kfs s ASP 106 Ca 0.71 -0.18 0.36 0.00 0.43 0.00 0.00 52.55 53.88 2kfs s ASP 106 Cb -0.43 -1.94 2.05 0.00 -0.30 0.00 0.00 42.92 42.29 2kfs s ASP 106 CO 0.32 -0.03 2.29 1.55 -0.17 0.00 0.00 175.17 179.12 2kfs h PRO 107 N 8.18 0.00 -0.21 4.34 0.13 -1.90 -0.59 132.00 141.95 2kfs h PRO 107 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 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 0.58 0.01 0.00 0.43 -0.23 0.00 0.00 178.00 178.79 2kfs n SER 108 N -3.46 2.90 -4.47 1.44 7.64 -1.26 -4.47 113.62 111.94 2kfs n SER 108 Ca -0.03 -1.92 -0.34 0.00 1.01 0.00 0.00 58.87 57.60 2kfs n SER 108 Cb 0.10 -0.13 -0.13 0.00 -1.01 0.00 0.00 64.21 63.05 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 -1.71 3.16 -0.18 -3.43 2.96 -0.25 -5.02 118.68 114.21 2kfs s LEU 109 Ca 0.34 -0.18 -0.01 0.00 -0.22 0.00 0.00 54.13 54.07 2kfs s LEU 109 Cb 0.21 -1.76 0.05 0.00 0.50 0.00 0.00 46.19 45.18 2kfs s LEU 109 CO 0.31 0.14 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.57 2kfs s THR 110 N 0.50 0.95 0.11 3.68 2.01 -1.26 -0.64 115.64 120.99 2kfs s THR 110 Ca -0.04 -0.65 0.10 0.00 0.31 0.00 0.00 61.69 61.41 2kfs s THR 110 Cb -0.14 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 2kfs s THR 110 CO 0.03 -0.00 -0.26 -0.63 -0.69 0.00 0.00 174.62 173.07 2kfs s ILE 111 N 1.69 2.32 -0.06 1.82 -1.09 -0.05 -4.84 121.20 120.99 2kfs s ILE 111 Ca -0.01 -1.64 -0.20 0.00 -2.23 0.00 0.00 60.65 56.57 2kfs s ILE 111 Cb -0.16 -2.01 -0.05 0.00 -1.58 0.00 0.00 42.46 38.67 2kfs s ILE 111 CO -0.07 0.15 0.56 0.42 -1.23 0.00 0.00 174.94 174.77 2kfs s THR 112 N -1.02 5.04 0.42 2.92 -4.23 -1.26 0.39 115.64 117.91 2kfs s THR 112 Ca 0.14 1.15 -0.17 0.00 -1.18 0.00 0.00 61.69 61.64 2kfs s THR 112 Cb -0.10 -3.90 -0.09 0.00 1.34 0.00 0.00 72.50 69.75 2kfs s THR 112 CO 0.06 0.37 0.88 -0.60 -0.54 0.00 0.00 174.62 174.78 2kfs s ARG 113 N 0.22 4.02 -0.11 3.99 3.52 -1.22 -4.89 118.95 124.48 2kfs s ARG 113 Ca 0.30 0.86 -0.29 0.00 -0.13 0.00 0.00 55.73 56.47 2kfs s ARG 113 Cb -0.17 -2.26 -0.06 0.00 -1.56 0.00 0.00 34.95 30.90 2kfs s ARG 113 CO 0.15 -0.06 1.99 0.34 -0.81 0.00 0.00 175.30 176.91 2kfs s ASP 114 N -2.62 6.08 0.00 -2.12 2.15 -1.26 -1.18 116.67 117.72 2kfs s ASP 114 Ca 0.57 2.18 0.00 0.00 0.43 0.00 0.00 52.55 55.73 2kfs s ASP 114 Cb -0.10 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 2kfs s ASP 114 CO 0.22 -1.42 0.00 0.61 -0.17 0.00 0.00 175.17 174.41 2kfs n GLY 115 N 5.00 0.68 2.92 2.66 0.00 -1.26 -5.05 105.19 110.13 2kfs n GLY 115 Ca 0.23 -0.56 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.51 -0.09 0.28 1.61 0.01 -0.33 -5.02 113.70 107.66 2kfs s SER 116 Ca 0.00 0.26 0.20 0.00 1.31 0.00 0.00 55.95 57.72 2kfs s SER 116 Cb 0.00 0.17 0.11 0.00 0.21 0.00 0.00 66.02 66.51 2kfs s SER 116 CO 0.00 -0.13 1.31 0.08 0.41 0.00 0.00 173.24 174.91 2kfs h ARG 117 N 7.03 0.00 -7.04 12.44 0.11 -1.97 -3.32 114.38 121.63 2kfs h ARG 117 Ca -0.40 0.00 -0.47 0.00 0.10 0.00 0.00 59.98 59.21 2kfs h ARG 117 Cb 1.15 0.00 0.02 0.00 1.11 0.00 0.00 29.97 32.25 2kfs h ARG 117 CO 0.43 0.18 0.39 0.16 0.10 0.00 0.00 179.97 181.23 2kfs s ASP 118 N -6.00 6.53 -0.05 0.08 -4.77 -1.26 -4.93 116.67 106.26 2kfs s ASP 118 Ca 0.03 1.93 -0.00 0.00 -3.30 0.00 0.00 52.55 51.21 2kfs s ASP 118 Cb 0.07 -2.57 -0.03 0.00 -1.09 0.00 0.00 42.92 39.30 2kfs s ASP 118 CO 0.74 -0.65 -0.00 0.00 0.70 0.00 0.00 175.17 175.96 2kfs s ALA 119 N -1.90 3.26 -0.19 2.11 0.00 -1.26 -3.45 121.76 120.33 2kfs s ALA 119 Ca 0.64 -0.86 -0.06 0.00 0.00 0.00 0.00 51.96 51.68 2kfs s ALA 119 Cb -0.17 -1.41 -0.03 0.00 0.00 0.00 0.00 23.12 21.51 2kfs s ALA 119 CO 0.21 0.61 0.02 0.08 0.00 0.00 0.00 175.76 176.68 2kfs s VAL 120 N -0.95 4.18 0.48 0.00 1.01 0.16 -4.86 120.40 120.42 2kfs s VAL 120 Ca 0.16 -0.24 -0.14 0.00 0.00 0.00 0.00 61.98 61.76 2kfs s VAL 120 Cb -0.11 -2.89 -0.07 0.00 0.00 0.00 0.00 36.38 33.31 2kfs s VAL 120 CO 0.05 0.44 0.91 -0.55 0.00 0.00 0.00 175.10 175.95 2kfs s SER 121 N 0.78 6.57 -0.82 3.32 0.15 -1.26 -0.87 113.70 121.55 2kfs s SER 121 Ca 0.01 1.40 -0.03 0.00 0.70 0.00 0.00 55.95 58.03 2kfs s SER 121 Cb -0.14 -2.44 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2kfs s SER 121 CO 0.02 -0.53 0.38 0.59 1.20 0.00 0.00 173.24 174.90 2kfs n ASN 122 N -1.53 -4.09 -4.83 5.45 4.13 0.19 -4.94 115.26 109.63 2kfs n ASN 122 Ca 0.05 -0.18 -0.33 0.00 1.68 0.00 0.00 54.58 55.81 2kfs n ASN 122 Cb 0.54 -2.92 -0.05 0.00 -1.54 0.00 0.00 39.78 35.81 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 -2.93 3.06 0.14 5.41 0.00 -1.22 -4.18 121.76 122.05 2kfs s ALA 123 Ca 0.19 0.29 -0.19 0.00 0.00 0.00 0.00 51.96 52.25 2kfs s ALA 123 Cb -0.08 -3.13 -0.07 0.00 0.00 0.00 0.00 23.12 19.84 2kfs s ALA 123 CO 0.24 -0.04 0.64 1.03 0.00 0.00 0.00 175.76 177.62 2kfs s ARG 124 N -3.60 4.23 0.57 0.00 0.52 -1.26 -2.31 118.95 117.10 2kfs s ARG 124 Ca 0.60 0.79 0.29 0.00 -0.52 0.00 0.00 55.73 56.90 2kfs s ARG 124 Cb -0.09 -3.09 1.46 0.00 0.52 0.00 0.00 34.95 33.75 2kfs s ARG 124 CO 0.22 0.53 1.88 -1.35 0.02 0.00 0.00 175.30 176.60 2kfs h PRO 125 N 4.02 0.00 -0.58 3.54 0.11 -1.75 0.17 132.00 137.52 2kfs h PRO 125 Ca -0.49 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 2kfs h PRO 125 Cb 1.20 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 2kfs h PRO 125 CO 0.65 0.00 0.25 0.28 -0.21 0.00 0.00 178.00 178.97 2kfs h VAL 126 N 0.00 1.22 -0.79 3.15 2.07 -1.87 -1.83 116.25 118.20 2kfs h VAL 126 Ca 0.29 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 67.17 2kfs h VAL 126 Cb 1.38 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 2kfs h VAL 126 CO -0.00 0.25 0.52 0.44 0.02 0.00 0.00 177.57 178.80 2kfs h ASP 127 N 0.79 0.91 -0.26 0.57 3.32 -0.97 -2.02 116.42 118.76 2kfs h ASP 127 Ca 0.20 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.12 2kfs h ASP 127 Cb 0.16 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 2kfs h ASP 127 CO -0.02 0.66 -0.19 0.00 -1.72 0.00 0.00 179.24 177.97 2kfs h ALA 128 N 1.50 0.97 -0.37 3.45 0.00 -1.18 -2.43 119.26 121.20 2kfs h ALA 128 Ca 0.29 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 2kfs h ALA 128 Cb -0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2kfs h ALA 128 CO -0.06 0.60 -0.34 1.37 0.00 0.00 0.00 179.25 180.82 2kfs h LEU 129 N 0.63 0.89 -1.41 0.00 8.10 -0.59 0.29 115.31 123.21 2kfs h LEU 129 Ca 0.10 -0.38 -0.03 0.00 0.11 0.00 0.00 57.88 57.67 2kfs h LEU 129 Cb 0.67 -0.25 -0.00 0.00 -0.44 0.00 0.00 40.66 40.63 2kfs h LEU 129 CO 0.05 1.14 -0.16 0.45 -4.11 0.00 0.00 178.44 175.81 2kfs h HIS 130 N 0.70 0.00 -0.34 0.17 3.86 -1.43 -1.41 115.15 116.70 2kfs h HIS 130 Ca 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2kfs h HIS 130 Cb 0.91 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.38 2kfs h HIS 130 CO 0.05 0.16 0.00 0.00 0.86 0.00 0.00 177.93 179.00 2kfs n ALA 131 N -2.21 2.46 -2.31 2.45 0.00 -0.86 -4.87 120.51 115.17 2kfs n ALA 131 Ca -0.00 -0.73 -0.20 0.00 0.00 0.00 0.00 53.44 52.50 2kfs n ALA 131 Cb 0.35 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.79 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 0.76 -0.91 -0.62 0.00 8.25 -0.53 -4.81 115.22 117.36 2kfs n HIS 132 Ca 0.16 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.60 2kfs n HIS 132 Cb 0.40 -3.87 0.28 0.00 1.12 0.00 0.00 29.99 27.92 2kfs n HIS 132 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2kfs n GLN 133 N -2.93 3.54 -0.01 -0.41 1.13 0.95 -4.54 117.38 115.11 2kfs n GLN 133 Ca -0.24 -2.52 0.22 0.00 -1.94 0.00 0.00 57.00 52.52 2kfs n GLN 133 Cb 0.68 -2.08 0.72 0.00 0.11 0.00 0.00 30.24 29.67 2kfs n GLN 133 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kfs h ALA 134 N 2.91 2.47 -0.75 -1.58 0.00 -1.82 0.29 119.26 120.78 2kfs h ALA 134 Ca 0.15 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.11 2kfs h ALA 134 Cb 1.95 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.72 2kfs h ALA 134 CO 0.55 -0.75 0.43 -0.09 0.00 0.00 0.00 179.25 179.38 2kfs h ARG 135 N 0.00 0.74 -0.01 0.00 2.43 -1.93 0.44 114.38 116.05 2kfs h ARG 135 Ca 0.27 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 59.25 2kfs h ARG 135 Cb 1.18 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.55 2kfs h ARG 135 CO -0.00 0.49 -0.69 0.93 -1.51 0.00 0.00 179.97 179.19 2kfs h GLU 136 N 0.76 0.04 -0.37 0.20 4.39 -1.32 -0.88 114.58 117.42 2kfs h GLU 136 Ca 0.34 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.98 2kfs h GLU 136 Cb 0.24 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 2kfs h GLU 136 CO -0.20 0.72 0.13 0.28 -1.16 0.00 0.00 179.01 178.77 2kfs h VAL 137 N 0.03 1.20 -0.65 3.13 2.07 -1.06 0.12 116.25 121.10 2kfs h VAL 137 Ca -0.01 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 2kfs h VAL 137 Cb 1.22 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 2kfs h VAL 137 CO 0.09 0.23 0.27 0.58 0.02 0.00 0.00 177.57 178.77 2kfs h VAL 138 N 0.44 1.23 -0.52 2.57 2.07 -0.79 0.22 116.25 121.46 2kfs h VAL 138 Ca 0.12 -0.71 0.05 0.00 0.82 0.00 0.00 66.70 66.98 2kfs h VAL 138 Cb 0.23 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 2kfs h VAL 138 CO -0.01 0.28 0.27 -0.09 0.02 0.00 0.00 177.57 178.04 2kfs h ARG 139 N 0.90 0.50 -0.32 1.57 2.43 -0.76 0.10 114.38 118.82 2kfs h ARG 139 Ca 0.22 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.23 2kfs h ARG 139 Cb 0.18 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2kfs h ARG 139 CO -0.02 0.33 -0.33 0.00 -1.51 0.00 0.00 179.97 178.44 2kfs h ARG 140 N 0.52 0.69 -0.61 0.20 2.47 -0.36 -1.52 114.38 115.76 2kfs h ARG 140 Ca 0.23 -0.33 0.01 0.00 -1.26 0.00 0.00 59.98 58.64 2kfs h ARG 140 Cb 0.14 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.41 2kfs h ARG 140 CO -0.16 0.93 0.39 0.00 0.56 0.00 0.00 179.97 181.69 2kfs h ALA 141 N 1.04 0.78 -0.60 0.04 0.00 0.24 -0.13 119.26 120.64 2kfs h ALA 141 Ca 0.06 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2kfs h ALA 141 Cb 0.85 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2kfs h ALA 141 CO 0.07 0.17 0.10 1.96 0.00 0.00 0.00 179.25 181.55 2kfs h GLN 142 N 0.79 0.96 0.00 0.00 4.20 -0.64 -1.80 115.11 118.63 2kfs h GLN 142 Ca 0.23 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2kfs h GLN 142 Cb -0.05 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.61 2kfs h GLN 142 CO -0.07 0.89 0.00 0.00 -0.67 0.00 0.00 178.83 178.98 2kfs h ALA 143 N 1.19 1.00 0.00 3.87 0.00 -0.42 0.22 119.26 125.12 2kfs h ALA 143 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.83 2kfs h ALA 143 Cb 0.39 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2kfs h ALA 143 CO 0.01 0.00 -1.51 0.52 0.00 0.00 0.00 179.25 178.26 2kfs h MET 144 N 0.00 0.00 0.11 0.00 2.86 -0.37 -3.37 114.93 114.16 2kfs h MET 144 Ca 0.00 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.41 2kfs h MET 144 Cb 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 2kfs h MET 144 CO 0.00 0.61 -1.15 0.00 1.06 0.00 0.00 176.91 177.43 2kfs h ALA 145 N 1.02 0.08 -0.01 6.32 0.00 -0.86 -3.51 119.26 122.30 2kfs h ALA 145 Ca -0.21 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 53.76 2kfs h ALA 145 Cb 1.93 0.35 0.00 0.00 0.00 0.00 0.00 17.79 20.07 2kfs h ALA 145 CO 0.09 0.64 0.00 0.66 0.00 0.00 0.00 179.25 180.64