#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfs s PRO 2 N 0.00 3.69 0.00 0.03 0.02 -1.26 -4.99 135.00 132.49 2kfs s PRO 2 Ca 0.00 1.70 0.00 0.00 0.02 0.00 0.00 61.00 62.72 2kfs s PRO 2 Cb 0.00 -4.09 0.00 0.00 0.02 0.00 0.00 34.50 30.43 2kfs s PRO 2 CO 0.00 -1.43 0.00 0.41 -0.33 0.00 0.00 177.00 175.65 2kfs n GLY 3 N 4.87 1.85 3.73 0.52 0.00 -1.26 -5.05 105.19 109.85 2kfs n GLY 3 Ca 0.20 -2.07 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 2kfs n GLY 3 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kfs s ARG 4 N 0.67 4.49 -0.45 1.61 1.81 -1.26 -5.00 118.95 120.82 2kfs s ARG 4 Ca 0.00 1.82 -0.13 0.00 -1.72 0.00 0.00 55.73 55.70 2kfs s ARG 4 Cb 0.00 -3.28 0.07 0.00 -0.45 0.00 0.00 34.95 31.29 2kfs s ARG 4 CO 0.00 -0.12 0.33 0.00 -0.68 0.00 0.00 175.30 174.84 2kfs s ALA 5 N 0.27 3.44 0.38 2.13 0.00 -1.26 -5.06 121.76 121.66 2kfs s ALA 5 Ca 0.54 -2.11 -0.26 0.00 0.00 0.00 0.00 51.96 50.14 2kfs s ALA 5 Cb -0.31 -2.88 -0.09 0.00 0.00 0.00 0.00 23.12 19.84 2kfs s ALA 5 CO 0.34 -1.68 1.17 -2.14 0.00 0.00 0.00 175.76 173.45 2kfs s PRO 6 N 1.55 4.14 0.46 0.00 0.02 -1.26 -5.03 135.00 134.88 2kfs s PRO 6 Ca 0.04 1.85 -0.04 0.00 0.02 0.00 0.00 61.00 62.86 2kfs s PRO 6 Cb -0.23 -2.75 0.10 0.00 0.02 0.00 0.00 34.50 31.64 2kfs s PRO 6 CO 0.05 -0.25 0.63 0.41 -0.33 0.00 0.00 177.00 177.51 2kfs n GLY 7 N 0.68 -0.30 1.71 0.52 0.00 -1.26 -5.09 105.19 101.46 2kfs n GLY 7 Ca 0.03 -1.85 -0.09 0.00 0.00 0.00 0.00 46.02 44.12 2kfs n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kfs n SER 8 N -3.20 0.78 -4.73 1.61 7.64 -1.26 -5.07 113.62 109.39 2kfs n SER 8 Ca 0.09 -1.60 -0.35 0.00 1.01 0.00 0.00 58.87 58.02 2kfs n SER 8 Cb 0.32 -0.23 0.08 0.00 -1.01 0.00 0.00 64.21 63.37 2kfs n SER 8 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2kfs s THR 9 N -0.87 2.21 -0.45 0.44 2.01 -1.26 -4.86 115.64 112.85 2kfs s THR 9 Ca 0.28 0.11 -0.27 0.00 0.31 0.00 0.00 61.69 62.12 2kfs s THR 9 Cb -0.02 -2.84 -0.05 0.00 0.01 0.00 0.00 72.50 69.60 2kfs s THR 9 CO 0.18 -0.04 2.14 -0.76 -0.69 0.00 0.00 174.62 175.45 2kfs s LEU 10 N -4.80 3.40 -0.16 4.42 2.01 -1.26 -4.92 118.68 117.36 2kfs s LEU 10 Ca 0.78 1.06 -0.23 0.00 0.01 0.00 0.00 54.13 55.76 2kfs s LEU 10 Cb -0.32 -2.84 -0.02 0.00 0.01 0.00 0.00 46.19 43.01 2kfs s LEU 10 CO 0.42 -2.41 0.70 0.00 1.01 0.00 0.00 176.35 176.07 2kfs s ALA 11 N 9.92 3.50 -0.83 4.21 0.00 -1.26 -4.98 121.76 132.31 2kfs s ALA 11 Ca 0.87 -0.11 -0.26 0.00 0.00 0.00 0.00 51.96 52.47 2kfs s ALA 11 Cb -0.19 -3.04 0.04 0.00 0.00 0.00 0.00 23.12 19.92 2kfs s ALA 11 CO 0.27 -0.49 1.34 1.03 0.00 0.00 0.00 175.76 177.91 2kfs s ARG 12 N 1.77 3.31 -0.10 0.00 0.52 -1.26 -4.96 118.95 118.23 2kfs s ARG 12 Ca 0.33 -0.52 -0.12 0.00 -0.52 0.00 0.00 55.73 54.90 2kfs s ARG 12 Cb -0.16 -4.58 -0.05 0.00 0.52 0.00 0.00 34.95 30.68 2kfs s ARG 12 CO 0.12 -2.18 0.28 0.14 0.02 0.00 0.00 175.30 173.68 2kfs s VAL 13 N 5.54 5.28 0.00 3.52 -7.23 -1.26 -3.91 120.40 122.34 2kfs s VAL 13 Ca 0.39 0.52 0.00 0.00 -1.81 0.00 0.00 61.98 61.08 2kfs s VAL 13 Cb -0.05 -3.58 0.00 0.00 0.56 0.00 0.00 36.38 33.31 2kfs s VAL 13 CO 0.07 0.52 0.00 0.61 -0.31 0.00 0.00 175.10 175.99 2kfs n GLY 14 N 2.48 0.62 3.43 2.32 0.00 -1.26 -4.61 105.19 108.16 2kfs n GLY 14 Ca -0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.51 6.60 -0.25 1.61 0.01 -1.14 -1.45 113.70 116.57 2kfs s SER 15 Ca 0.00 -2.07 -0.08 0.00 1.31 0.00 0.00 55.95 55.12 2kfs s SER 15 Cb 0.00 -2.36 -0.03 0.00 0.21 0.00 0.00 66.02 63.84 2kfs s SER 15 CO 0.00 -1.00 0.08 -0.63 0.41 0.00 0.00 173.24 172.10 2kfs s ILE 16 N 2.32 4.40 0.82 1.44 1.09 -1.26 -5.08 121.20 124.93 2kfs s ILE 16 Ca 0.28 -0.14 -0.12 0.00 -1.10 0.00 0.00 60.65 59.58 2kfs s ILE 16 Cb -0.07 -3.06 0.08 0.00 -1.06 0.00 0.00 42.46 38.35 2kfs s ILE 16 CO -0.07 0.33 1.10 -2.84 -0.10 0.00 0.00 174.94 173.36 2kfs s PRO 17 N 1.61 1.88 -0.00 2.79 0.02 -1.26 -4.78 135.00 135.25 2kfs s PRO 17 Ca 0.06 0.65 -0.22 0.00 0.02 0.00 0.00 61.00 61.51 2kfs s PRO 17 Cb -0.15 -1.89 -0.05 0.00 0.02 0.00 0.00 34.50 32.42 2kfs s PRO 17 CO 0.04 -1.77 0.66 0.00 -0.33 0.00 0.00 177.00 175.61 2kfs s ALA 18 N -3.13 3.42 0.00 -1.55 0.00 -1.26 -4.52 121.76 114.73 2kfs s ALA 18 Ca 0.61 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.70 2kfs s ALA 18 Cb -0.15 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.11 2kfs s ALA 18 CO 0.55 0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.80 2kfs n GLY 19 N 2.57 -0.14 3.11 0.00 0.00 -1.26 -4.70 105.19 104.76 2kfs n GLY 19 Ca -0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 2kfs n GLY 19 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kfs s ASP 20 N -0.63 0.43 -0.04 1.61 -4.77 -1.26 -4.06 116.67 107.95 2kfs s ASP 20 Ca 0.00 -0.94 -0.15 0.00 -3.30 0.00 0.00 52.55 48.16 2kfs s ASP 20 Cb 0.00 0.22 -0.05 0.00 -1.09 0.00 0.00 42.92 42.00 2kfs s ASP 20 CO 0.00 -0.62 0.39 -0.62 0.70 0.00 0.00 175.17 175.02 2kfs s ASP 21 N -2.90 6.73 -0.14 2.11 2.15 -0.96 -4.35 116.67 119.31 2kfs s ASP 21 Ca 0.07 0.87 0.19 0.00 0.43 0.00 0.00 52.55 54.11 2kfs s ASP 21 Cb 0.07 -2.24 -0.28 0.00 -0.30 0.00 0.00 42.92 40.18 2kfs s ASP 21 CO -0.10 0.26 0.21 0.52 -0.17 0.00 0.00 175.17 175.89 2kfs n VAL 22 N 2.25 0.92 -1.86 1.11 0.31 -1.26 -4.96 118.33 114.84 2kfs n VAL 22 Ca -0.13 -0.74 -0.26 0.00 -0.01 0.00 0.00 64.34 63.19 2kfs n VAL 22 Cb 0.52 -0.31 0.18 0.00 -0.91 0.00 0.00 33.84 33.33 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 -2.59 0.00 -4.89 7.52 -0.00 -1.26 -5.04 117.00 110.74 2kfs n LEU 23 Ca -0.23 -1.35 -0.32 0.00 -0.00 0.00 0.00 56.01 54.11 2kfs n LEU 23 Cb 0.96 -0.91 -0.05 0.00 -0.00 0.00 0.00 43.42 43.42 2kfs n LEU 23 CO 0.44 -1.35 -0.17 -0.62 -0.00 0.00 0.00 177.39 175.69 2kfs s ASP 24 N -5.40 6.24 0.65 1.45 2.15 -1.26 -4.97 116.67 115.54 2kfs s ASP 24 Ca 0.68 0.27 0.26 0.00 0.43 0.00 0.00 52.55 54.19 2kfs s ASP 24 Cb -0.02 -1.91 1.37 0.00 -0.30 0.00 0.00 42.92 42.06 2kfs s ASP 24 CO 0.48 0.22 1.78 -0.65 -0.17 0.00 0.00 175.17 176.83 2kfs h PRO 25 N 3.50 0.00 0.00 4.34 0.11 -1.99 0.15 132.00 138.11 2kfs h PRO 25 Ca -0.47 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 2kfs h PRO 25 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2kfs h PRO 25 CO 0.71 0.00 -0.21 0.22 -0.21 0.00 0.00 178.00 178.51 2kfs h ASP 26 N 0.00 0.00 -3.18 -2.05 3.58 -2.04 -3.40 116.42 109.32 2kfs h ASP 26 Ca 0.05 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 56.95 2kfs h ASP 26 Cb 0.99 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.01 2kfs h ASP 26 CO -0.00 0.21 0.63 -1.61 -2.88 0.00 0.00 179.24 175.58 2kfs s GLU 27 N -4.25 4.39 0.34 0.28 8.01 0.53 -5.00 118.70 123.00 2kfs s GLU 27 Ca -0.03 1.51 -0.29 0.00 0.01 0.00 0.00 54.97 56.17 2kfs s GLU 27 Cb 0.14 -3.55 -0.10 0.00 -4.31 0.00 0.00 34.13 26.30 2kfs s GLU 27 CO 0.65 -0.38 1.36 -2.14 0.01 0.00 0.00 175.26 174.76 2kfs s PRO 28 N 2.12 4.29 0.23 0.39 0.02 -1.26 -4.86 135.00 135.92 2kfs s PRO 28 Ca 0.51 2.31 0.11 0.00 0.02 0.00 0.00 61.00 63.95 2kfs s PRO 28 Cb -0.21 -3.05 -0.05 0.00 0.02 0.00 0.00 34.50 31.22 2kfs s PRO 28 CO 0.19 -0.28 -0.17 0.95 -0.33 0.00 0.00 177.00 177.36 2kfs s THR 29 N -1.07 2.67 0.29 0.99 -4.23 -1.26 -1.37 115.64 111.65 2kfs s THR 29 Ca 0.50 -2.09 0.08 0.00 -1.18 0.00 0.00 61.69 59.01 2kfs s THR 29 Cb -0.41 -2.35 -0.04 0.00 1.34 0.00 0.00 72.50 71.04 2kfs s THR 29 CO 0.55 -0.25 0.13 -0.31 -0.54 0.00 0.00 174.62 174.20 2kfs s TYR 30 N -2.05 2.84 0.20 3.99 2.02 0.13 -4.82 117.35 119.66 2kfs s TYR 30 Ca 0.26 -0.24 0.02 0.00 -0.37 0.00 0.00 57.07 56.74 2kfs s TYR 30 Cb -0.07 -1.44 -0.05 0.00 -0.40 0.00 0.00 41.96 40.01 2kfs s TYR 30 CO 0.14 0.47 0.02 -0.51 -1.57 0.00 0.00 175.55 174.10 2kfs s ASP 31 N -3.80 1.24 0.14 2.29 1.11 -1.26 -0.08 116.67 116.30 2kfs s ASP 31 Ca 0.35 -1.23 -0.28 0.00 0.18 0.00 0.00 52.55 51.57 2kfs s ASP 31 Cb -0.06 0.12 -0.03 0.00 1.07 0.00 0.00 42.92 44.02 2kfs s ASP 31 CO 0.23 -0.60 1.59 -0.07 1.18 0.00 0.00 175.17 177.49 2kfs h LEU 32 N 2.61 -1.23 -1.55 1.23 -0.00 -1.98 0.17 115.31 114.55 2kfs h LEU 32 Ca -0.37 0.17 -0.03 0.00 -0.00 0.00 0.00 57.88 57.65 2kfs h LEU 32 Cb 1.22 0.51 -0.01 0.00 -0.00 0.00 0.00 40.66 42.38 2kfs h LEU 32 CO 0.62 -0.40 -0.07 1.55 -0.00 0.00 0.00 178.44 180.14 2kfs h PRO 33 N -0.44 0.20 -0.33 1.13 0.13 -1.98 -2.12 132.00 128.59 2kfs h PRO 33 Ca 0.09 -0.03 -0.17 0.00 -0.87 0.00 0.00 66.00 65.02 2kfs h PRO 33 Cb 0.60 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.69 2kfs h PRO 33 CO -0.41 0.28 -0.46 -0.09 -0.23 0.00 0.00 178.00 177.09 2kfs h ARG 34 N 0.19 0.87 -0.37 0.86 9.65 -1.70 -1.08 114.38 122.80 2kfs h ARG 34 Ca 0.04 -0.49 -0.14 0.00 -1.10 0.00 0.00 59.98 58.29 2kfs h ARG 34 Cb 0.26 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.87 2kfs h ARG 34 CO 0.01 1.14 -0.34 0.28 2.80 0.00 0.00 179.97 183.86 2kfs h VAL 35 N 0.69 1.28 -0.62 0.20 2.07 -0.37 -0.36 116.25 119.14 2kfs h VAL 35 Ca 0.04 -1.51 0.02 0.00 0.82 0.00 0.00 66.70 66.08 2kfs h VAL 35 Cb 1.05 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 32.14 2kfs h VAL 35 CO 0.11 0.50 0.38 0.00 0.02 0.00 0.00 177.57 178.58 2kfs h ALA 36 N 0.91 0.80 -0.43 1.67 0.00 -1.24 0.18 119.26 121.16 2kfs h ALA 36 Ca 0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2kfs h ALA 36 Cb 0.90 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2kfs h ALA 36 CO 0.08 0.14 0.20 1.49 0.00 0.00 0.00 179.25 181.16 2kfs h GLU 37 N 0.76 0.62 -0.16 0.00 4.81 -0.94 0.18 114.58 119.85 2kfs h GLU 37 Ca 0.24 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 2kfs h GLU 37 Cb 0.00 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2kfs h GLU 37 CO -0.09 0.54 0.02 1.25 -0.73 0.00 0.00 179.01 180.00 2kfs h LEU 38 N 0.55 0.27 0.00 1.64 5.85 -0.48 -3.21 115.31 119.93 2kfs h LEU 38 Ca 0.15 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2kfs h LEU 38 Cb 0.13 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.09 2kfs h LEU 38 CO -0.02 0.48 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.25 2kfs h LEU 39 N 0.05 0.00 0.34 2.25 3.38 -0.55 -3.47 115.31 117.30 2kfs h LEU 39 Ca 0.05 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 2kfs h LEU 39 Cb 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2kfs h LEU 39 CO 0.01 0.01 -0.06 0.61 0.09 0.00 0.00 178.44 179.09 2kfs n GLY 40 N 1.18 0.29 3.42 0.83 0.00 0.55 -5.05 105.19 106.40 2kfs n GLY 40 Ca 0.03 -0.80 -0.21 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.12 1.93 0.71 1.61 -7.23 -0.69 -5.04 120.40 109.57 2kfs s VAL 41 Ca 0.00 -2.23 -0.14 0.00 -1.81 0.00 0.00 61.98 57.80 2kfs s VAL 41 Cb 0.00 -2.27 0.03 0.00 0.56 0.00 0.00 36.38 34.69 2kfs s VAL 41 CO 0.00 -0.43 1.12 -2.16 -0.31 0.00 0.00 175.10 173.32 2kfs s PRO 42 N -3.63 2.46 0.30 4.82 0.04 -1.26 -4.36 135.00 133.37 2kfs s PRO 42 Ca 0.27 1.42 -0.02 0.00 0.04 0.00 0.00 61.00 62.71 2kfs s PRO 42 Cb -0.00 -1.91 0.46 0.00 0.04 0.00 0.00 34.50 33.09 2kfs s PRO 42 CO 0.11 -1.52 1.96 0.28 0.04 0.00 0.00 177.00 177.87 2kfs h VAL 43 N -0.39 1.21 -0.46 -0.36 2.07 -1.91 -1.08 116.25 115.32 2kfs h VAL 43 Ca -0.46 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 2kfs h VAL 43 Cb 1.25 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 2kfs h VAL 43 CO 0.52 0.21 0.27 -1.28 0.02 0.00 0.00 177.57 177.31 2kfs h SER 44 N 1.06 0.55 -0.33 0.57 0.87 -1.95 -1.38 113.55 112.94 2kfs h SER 44 Ca 0.28 -0.03 -0.15 0.00 -1.23 0.00 0.00 61.79 60.66 2kfs h SER 44 Cb -0.08 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 2kfs h SER 44 CO -0.06 0.43 -0.35 0.50 -0.53 0.00 0.00 176.83 176.83 2kfs h LYS 45 N 0.63 0.87 -0.82 2.24 3.64 -1.57 -1.46 116.57 120.10 2kfs h LYS 45 Ca 0.17 -0.43 -0.01 0.00 -1.27 0.00 0.00 60.65 59.10 2kfs h LYS 45 Cb -0.01 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 2kfs h LYS 45 CO -0.03 1.08 0.46 0.28 -2.27 0.00 0.00 179.45 178.97 2kfs h VAL 46 N 0.72 1.24 -0.62 2.00 2.07 -1.04 -0.93 116.25 119.69 2kfs h VAL 46 Ca 0.07 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 2kfs h VAL 46 Cb 0.92 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 2kfs h VAL 46 CO 0.09 0.26 0.31 0.00 0.02 0.00 0.00 177.57 178.25 2kfs h ALA 47 N 1.25 1.39 -0.40 1.67 0.00 -0.94 -1.54 119.26 120.68 2kfs h ALA 47 Ca 0.29 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2kfs h ALA 47 Cb 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2kfs h ALA 47 CO -0.05 0.49 0.05 1.96 0.00 0.00 0.00 179.25 181.71 2kfs h GLN 48 N 0.87 0.67 -0.61 0.00 4.20 -0.17 -2.06 115.11 118.01 2kfs h GLN 48 Ca 0.22 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 2kfs h GLN 48 Cb 0.07 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 2kfs h GLN 48 CO -0.03 0.73 0.32 1.96 -0.67 0.00 0.00 178.83 181.14 2kfs h GLN 49 N 0.52 0.86 -0.81 1.46 1.08 -0.75 -1.92 115.11 115.54 2kfs h GLN 49 Ca 0.12 -0.11 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 2kfs h GLN 49 Cb 0.39 -0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 27.62 2kfs h GLN 49 CO 0.01 0.67 0.42 1.25 -0.95 0.00 0.00 178.83 180.23 2kfs h LEU 50 N 0.83 1.04 -1.22 1.46 5.85 -1.18 -1.07 115.31 121.02 2kfs h LEU 50 Ca 0.21 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 2kfs h LEU 50 Cb 0.07 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 2kfs h LEU 50 CO -0.03 0.86 -0.09 0.03 -0.34 0.00 0.00 178.44 178.87 2kfs h ARG 51 N 1.14 0.00 0.00 1.25 3.08 -0.93 -2.75 114.38 116.17 2kfs h ARG 51 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 2kfs h ARG 51 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2kfs h ARG 51 CO -0.04 0.09 -0.48 0.39 -1.07 0.00 0.00 179.97 178.85 2kfs n GLU 52 N -3.21 0.11 -2.21 0.04 -0.58 -0.76 -2.87 120.64 111.17 2kfs n GLU 52 Ca 0.01 0.03 -0.03 0.00 -0.42 0.00 0.00 57.16 56.75 2kfs n GLU 52 Cb 0.37 -1.57 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 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 1.44 0.36 0.03 0.62 0.00 -0.53 -4.36 105.19 102.75 2kfs n GLY 53 Ca 0.05 -0.70 0.11 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.73 0.23 -3.57 1.61 -0.00 -0.47 -4.68 115.22 104.61 2kfs n HIS 54 Ca -0.03 0.07 -0.15 0.00 -0.00 0.00 0.00 57.72 57.61 2kfs n HIS 54 Cb 0.52 -0.39 -0.06 0.00 -0.00 0.00 0.00 29.99 30.06 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 -3.77 -0.20 0.06 0.27 2.96 -1.23 -4.25 118.68 112.51 2kfs s LEU 55 Ca 0.05 0.35 0.02 0.00 -0.22 0.00 0.00 54.13 54.33 2kfs s LEU 55 Cb 0.15 2.20 -0.03 0.00 0.50 0.00 0.00 46.19 49.01 2kfs s LEU 55 CO 0.79 -0.67 -0.08 0.54 -1.32 0.00 0.00 176.35 175.62 2kfs s VAL 56 N -1.96 0.61 0.23 1.68 0.11 -1.26 -4.35 120.40 115.46 2kfs s VAL 56 Ca -0.08 -1.27 0.07 0.00 -2.93 0.00 0.00 61.98 57.77 2kfs s VAL 56 Cb -0.01 -0.86 -0.05 0.00 -1.53 0.00 0.00 36.38 33.93 2kfs s VAL 56 CO 0.02 -0.47 -0.10 0.00 -3.33 0.00 0.00 175.10 171.22 2kfs s ALA 57 N -1.83 2.05 0.29 1.54 0.00 -1.26 -4.74 121.76 117.81 2kfs s ALA 57 Ca -0.05 -1.73 0.06 0.00 0.00 0.00 0.00 51.96 50.23 2kfs s ALA 57 Cb -0.07 0.08 -0.06 0.00 0.00 0.00 0.00 23.12 23.07 2kfs s ALA 57 CO -0.00 -0.03 -0.02 0.14 0.00 0.00 0.00 175.76 175.84 2kfs s VAL 58 N -3.07 1.49 -0.09 0.00 -7.23 0.33 -4.33 120.40 107.51 2kfs s VAL 58 Ca 0.25 -2.08 0.05 0.00 -1.81 0.00 0.00 61.98 58.38 2kfs s VAL 58 Cb 0.02 -2.53 -0.00 0.00 0.56 0.00 0.00 36.38 34.42 2kfs s VAL 58 CO 0.08 -0.23 -0.24 -0.60 -0.31 0.00 0.00 175.10 173.81 2kfs s ARG 59 N -3.78 2.82 -0.10 4.82 3.52 -1.26 0.02 118.95 124.99 2kfs s ARG 59 Ca 0.31 -0.86 -0.09 0.00 -0.13 0.00 0.00 55.73 54.96 2kfs s ARG 59 Cb 0.05 -2.21 0.03 0.00 -1.56 0.00 0.00 34.95 31.27 2kfs s ARG 59 CO 0.12 0.23 0.27 -0.98 -0.81 0.00 0.00 175.30 174.14 2kfs s ARG 60 N 0.20 0.30 -1.52 5.12 1.70 0.14 -2.27 118.95 122.63 2kfs s ARG 60 Ca -0.14 0.41 0.00 0.00 -0.47 0.00 0.00 55.73 55.53 2kfs s ARG 60 Cb -0.17 0.11 0.00 0.00 -0.57 0.00 0.00 34.95 34.33 2kfs s ARG 60 CO 0.07 -0.06 0.00 0.00 -1.08 0.00 0.00 175.30 174.23 2kfs n ALA 61 N 3.15 -0.22 -0.21 7.88 0.00 -1.26 -0.68 120.51 129.17 2kfs n ALA 61 Ca -0.15 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2kfs n ALA 61 Cb 0.57 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 -0.42 0.84 3.75 0.00 0.00 -1.26 -5.05 105.19 103.06 2kfs n GLY 62 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.62 1.97 -0.27 -0.02 0.00 0.14 -5.07 107.32 102.45 2kfs s GLY 63 Ca 0.00 -0.87 -0.13 0.00 0.00 0.00 0.00 44.72 43.72 2kfs s GLY 63 CO 0.00 -0.73 0.30 0.14 0.00 0.00 0.00 173.10 172.81 2kfs s VAL 64 N -1.13 5.23 0.08 1.40 1.01 -1.26 -0.68 120.40 125.05 2kfs s VAL 64 Ca 0.21 0.41 0.03 0.00 0.00 0.00 0.00 61.98 62.63 2kfs s VAL 64 Cb -0.12 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 2kfs s VAL 64 CO 0.11 0.20 -0.10 0.68 0.00 0.00 0.00 175.10 175.99 2kfs s VAL 65 N 1.93 0.85 -0.21 2.92 -7.23 0.10 -4.58 120.40 114.19 2kfs s VAL 65 Ca 0.12 -1.54 -0.03 0.00 -1.81 0.00 0.00 61.98 58.72 2kfs s VAL 65 Cb -0.16 -1.23 -0.00 0.00 0.56 0.00 0.00 36.38 35.54 2kfs s VAL 65 CO 0.10 -0.53 -0.08 -0.63 -0.31 0.00 0.00 175.10 173.65 2kfs s ILE 66 N -2.28 3.11 0.10 -0.62 1.09 0.89 -0.51 121.20 122.98 2kfs s ILE 66 Ca 0.03 -0.58 -0.35 0.00 -1.10 0.00 0.00 60.65 58.65 2kfs s ILE 66 Cb -0.04 -2.40 -0.14 0.00 -1.06 0.00 0.00 42.46 38.82 2kfs s ILE 66 CO -0.00 0.45 1.58 -2.65 -0.10 0.00 0.00 174.94 174.22 2kfs n PRO 67 N 4.67 1.93 0.22 2.79 -0.02 -1.26 0.21 135.00 143.54 2kfs n PRO 67 Ca -0.19 0.70 0.17 0.00 -2.02 0.00 0.00 63.50 62.16 2kfs n PRO 67 Cb 0.51 -2.45 0.84 0.00 -0.02 0.00 0.00 33.50 32.38 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 6.14 0.00 0.00 -0.52 4.15 -1.54 -0.97 115.11 122.37 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 1.27 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.96 2kfs h GLN 68 CO 0.88 0.00 0.00 1.33 -1.93 0.00 0.00 178.83 179.11 2kfs n VAL 69 N -3.81 0.38 1.43 2.39 0.24 -1.26 -1.42 118.33 116.29 2kfs n VAL 69 Ca 0.01 0.10 0.14 0.00 -2.04 0.00 0.00 64.34 62.55 2kfs n VAL 69 Cb 0.28 -0.82 0.64 0.00 -1.47 0.00 0.00 33.84 32.47 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 -1.21 0.00 -4.42 6.34 3.01 -0.37 -4.77 117.46 116.04 2kfs n PHE 70 Ca 0.09 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.32 2kfs n PHE 70 Cb 0.11 -0.19 -0.10 0.00 -0.01 0.00 0.00 39.48 39.29 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 -2.47 2.10 0.47 1.38 0.40 -0.51 -1.93 117.98 117.43 2kfs s PHE 71 Ca 0.30 -0.41 -0.01 0.00 -0.60 0.00 0.00 56.93 56.21 2kfs s PHE 71 Cb 0.20 -0.95 -0.01 0.00 0.51 0.00 0.00 43.02 42.78 2kfs s PHE 71 CO 0.47 0.56 0.71 0.95 0.70 0.00 0.00 175.22 178.62 2kfs s THR 72 N -2.48 4.08 -0.12 0.64 -4.23 0.19 -4.80 115.64 108.92 2kfs s THR 72 Ca 0.26 -0.35 0.28 0.00 -1.18 0.00 0.00 61.69 60.69 2kfs s THR 72 Cb -0.04 -3.53 0.29 0.00 1.34 0.00 0.00 72.50 70.55 2kfs s THR 72 CO 0.11 -0.41 1.83 -0.55 -0.54 0.00 0.00 174.62 175.07 2kfs h ASN 73 N 0.30 0.00 0.07 3.99 -1.07 -1.92 -1.85 115.58 115.10 2kfs h ASN 73 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.91 2kfs h ASN 73 Cb 1.25 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.50 2kfs h ASN 73 CO 0.58 0.00 0.00 -1.20 0.07 0.00 0.00 177.43 176.88 2kfs n SER 74 N -2.50 0.00 -0.03 6.14 7.64 -1.26 -4.86 113.62 118.75 2kfs n SER 74 Ca -0.00 -0.88 -0.00 0.00 1.01 0.00 0.00 58.87 59.00 2kfs n SER 74 Cb 0.14 -0.03 -0.00 0.00 -1.01 0.00 0.00 64.21 63.31 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 0.98 0.38 3.23 0.23 0.00 -0.69 -5.04 105.19 104.28 2kfs n GLY 75 Ca 0.22 -0.99 -0.24 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.90 1.24 0.66 1.61 0.74 -1.25 -4.84 119.66 114.93 2kfs s GLN 76 Ca 0.00 -0.94 -0.15 0.00 0.05 0.00 0.00 55.36 54.33 2kfs s GLN 76 Cb 0.00 -1.36 0.00 0.00 1.10 0.00 0.00 33.01 32.75 2kfs s GLN 76 CO 0.00 0.34 1.10 0.54 -0.55 0.00 0.00 175.29 176.72 2kfs s VAL 77 N -0.87 3.30 -0.30 1.34 0.11 -1.26 0.56 120.40 123.28 2kfs s VAL 77 Ca 0.06 0.59 -0.29 0.00 -2.93 0.00 0.00 61.98 59.41 2kfs s VAL 77 Cb -0.09 -3.11 -0.02 0.00 -1.53 0.00 0.00 36.38 31.63 2kfs s VAL 77 CO 0.02 -0.39 1.66 -0.69 -3.33 0.00 0.00 175.10 172.37 2kfs s VAL 78 N -2.41 3.64 0.40 2.04 1.01 -0.81 -4.66 120.40 119.61 2kfs s VAL 78 Ca 0.66 0.68 0.11 0.00 0.00 0.00 0.00 61.98 63.43 2kfs s VAL 78 Cb -0.20 -3.76 0.32 0.00 0.00 0.00 0.00 36.38 32.74 2kfs s VAL 78 CO 0.43 -0.42 1.95 0.07 0.00 0.00 0.00 175.10 177.13 2kfs h LYS 79 N 11.61 0.55 -0.01 2.72 2.10 -1.91 -1.07 116.57 130.56 2kfs h LYS 79 Ca -0.33 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 2kfs h LYS 79 Cb 1.15 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.36 2kfs h LYS 79 CO 1.03 0.36 -0.23 0.43 -2.00 0.00 0.00 179.45 179.04 2kfs n SER 80 N -4.49 1.15 -0.05 7.07 7.64 -1.26 -4.32 113.62 119.36 2kfs n SER 80 Ca 0.12 -1.01 -0.12 0.00 1.01 0.00 0.00 58.87 58.87 2kfs n SER 80 Cb 0.36 0.13 -0.06 0.00 -1.01 0.00 0.00 64.21 63.63 2kfs n SER 80 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2kfs h LEU 81 N 1.45 0.27 -2.02 -3.43 6.46 -1.58 -2.63 115.31 113.84 2kfs h LEU 81 Ca 0.00 -0.29 0.15 0.00 -0.12 0.00 0.00 57.88 57.61 2kfs h LEU 81 Cb 0.52 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.36 2kfs h LEU 81 CO 0.00 0.49 0.40 1.55 -0.62 0.00 0.00 178.44 180.26 2kfs h PRO 82 N 0.04 0.00 -0.61 5.25 0.13 -1.74 -0.47 132.00 134.60 2kfs h PRO 82 Ca 0.05 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.12 2kfs h PRO 82 Cb 0.35 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.45 2kfs h PRO 82 CO 0.01 0.00 0.14 0.78 -0.23 0.00 0.00 178.00 178.70 2kfs h GLY 83 N 0.00 1.03 1.10 1.56 0.00 -1.73 -0.48 103.07 104.55 2kfs h GLY 83 Ca 0.24 -0.62 -0.13 0.00 0.00 0.00 0.00 47.33 46.82 2kfs h GLY 83 CO -0.00 0.58 -0.21 0.17 0.00 0.00 0.00 176.54 177.08 2kfs h LEU 84 N 0.92 1.02 -1.56 3.11 8.10 -1.05 -2.50 115.31 123.34 2kfs h LEU 84 Ca 0.20 -0.39 -0.02 0.00 0.11 0.00 0.00 57.88 57.77 2kfs h LEU 84 Cb 0.33 -0.28 -0.01 0.00 -0.44 0.00 0.00 40.66 40.26 2kfs h LEU 84 CO 0.00 1.19 0.06 -0.07 -4.11 0.00 0.00 178.44 175.51 2kfs h LEU 85 N 0.85 0.30 0.02 0.17 3.38 -1.17 -1.37 115.31 117.49 2kfs h LEU 85 Ca 0.11 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2kfs h LEU 85 Cb 0.79 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2kfs h LEU 85 CO 0.07 0.32 -0.01 0.74 0.09 0.00 0.00 178.44 179.65 2kfs h THR 86 N 0.34 1.09 -0.57 0.22 2.02 -0.66 0.97 112.91 116.32 2kfs h THR 86 Ca 0.08 -0.32 -0.11 0.00 0.77 0.00 0.00 66.41 66.84 2kfs h THR 86 Cb 0.14 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 2kfs h THR 86 CO -0.00 0.08 -0.06 -0.29 0.37 0.00 0.00 175.52 175.62 2kfs h ILE 87 N -0.16 1.27 -0.31 3.11 -0.00 -1.15 -1.70 117.51 118.57 2kfs h ILE 87 Ca -0.00 -1.21 -0.09 0.00 -0.00 0.00 0.00 64.86 63.56 2kfs h ILE 87 Cb 0.15 0.90 -0.01 0.00 -0.00 0.00 0.00 36.82 37.85 2kfs h ILE 87 CO 0.00 0.43 -0.20 -0.07 -0.00 0.00 0.00 178.15 178.32 2kfs h LEU 88 N 0.93 0.57 -0.85 2.19 -0.00 -1.19 -1.69 115.31 115.26 2kfs h LEU 88 Ca 0.15 -0.18 -0.02 0.00 -0.00 0.00 0.00 57.88 57.84 2kfs h LEU 88 Cb 0.62 -0.15 -0.04 0.00 -0.00 0.00 0.00 40.66 41.09 2kfs h LEU 88 CO 0.04 0.77 0.46 -0.74 -0.00 0.00 0.00 178.44 178.97 2kfs h HIS 89 N 0.51 1.18 -0.12 1.13 2.76 -0.47 0.13 115.15 120.27 2kfs h HIS 89 Ca 0.08 -0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.15 2kfs h HIS 89 Cb 0.63 -0.38 -0.01 0.00 1.55 0.00 0.00 27.41 29.20 2kfs h HIS 89 CO 0.02 0.82 -0.22 0.22 -1.30 0.00 0.00 177.93 177.48 2kfs h ASP 90 N 1.19 0.20 0.57 3.26 3.58 -0.89 -2.35 116.42 121.98 2kfs h ASP 90 Ca 0.30 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.70 2kfs h ASP 90 Cb 0.04 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.04 2kfs h ASP 90 CO -0.05 0.43 -0.42 0.61 -2.88 0.00 0.00 179.24 176.93 2kfs n GLY 91 N -0.68 -1.28 1.47 -0.78 0.00 -0.67 -4.96 105.19 98.28 2kfs n GLY 91 Ca -0.01 -0.31 -0.03 0.00 0.00 0.00 0.00 46.02 45.66 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 1.50 0.34 3.58 -0.02 0.00 0.32 -5.05 105.19 105.87 2kfs n GLY 92 Ca 0.06 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.06 2.96 0.81 1.61 1.51 -0.48 -5.03 117.35 115.67 2kfs s TYR 93 Ca 0.01 0.01 -0.11 0.00 -1.01 0.00 0.00 57.07 55.98 2kfs s TYR 93 Cb -0.00 -1.73 0.10 0.00 -0.11 0.00 0.00 41.96 40.22 2kfs s TYR 93 CO 0.13 0.32 1.16 -0.98 -1.11 0.00 0.00 175.55 175.06 2kfs s ARG 94 N -0.75 1.77 0.20 -0.62 1.70 -1.26 -4.64 118.95 115.34 2kfs s ARG 94 Ca 0.11 -0.13 -0.10 0.00 -0.47 0.00 0.00 55.73 55.14 2kfs s ARG 94 Cb -0.11 -2.00 0.26 0.00 -0.57 0.00 0.00 34.95 32.52 2kfs s ARG 94 CO 0.02 -1.65 1.76 0.38 -1.08 0.00 0.00 175.30 174.72 2kfs h ASP 95 N -1.03 0.28 -0.81 -2.89 2.03 -1.89 -0.92 116.42 111.19 2kfs h ASP 95 Ca -0.45 0.07 -0.03 0.00 -0.73 0.00 0.00 57.03 55.89 2kfs h ASP 95 Cb 1.31 0.03 -0.04 0.00 -0.83 0.00 0.00 39.33 39.80 2kfs h ASP 95 CO 0.58 0.17 0.39 0.74 -1.03 0.00 0.00 179.24 180.09 2kfs h THR 96 N 0.45 1.25 -0.68 1.15 2.02 -1.90 -2.17 112.91 113.03 2kfs h THR 96 Ca 0.29 -0.71 -0.05 0.00 0.77 0.00 0.00 66.41 66.72 2kfs h THR 96 Cb 0.33 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 2kfs h THR 96 CO -0.27 0.30 0.22 -0.33 0.37 0.00 0.00 175.52 175.81 2kfs h GLU 97 N 1.14 1.04 -0.23 6.66 4.39 -1.57 -0.90 114.58 125.11 2kfs h GLU 97 Ca 0.28 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 2kfs h GLU 97 Cb 0.12 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 2kfs h GLU 97 CO -0.03 0.88 0.13 0.82 -1.16 0.00 0.00 179.01 179.65 2kfs h ILE 98 N 1.00 1.10 0.00 3.13 1.08 -0.71 -2.25 117.51 120.86 2kfs h ILE 98 Ca 0.22 -0.26 -0.05 0.00 -0.39 0.00 0.00 64.86 64.38 2kfs h ILE 98 Cb 0.27 0.86 -0.01 0.00 -3.07 0.00 0.00 36.82 34.87 2kfs h ILE 98 CO -0.01 0.10 -0.24 0.24 -0.69 0.00 0.00 178.15 177.55 2kfs h MET 99 N 0.28 0.00 0.00 2.37 2.86 -1.05 -3.09 114.93 116.29 2kfs h MET 99 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 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 0.24 0.00 -2.13 1.06 0.00 0.00 176.91 176.07 2kfs n ARG 100 N -3.68 0.00 0.13 1.72 0.63 -0.38 -1.38 116.66 113.70 2kfs n ARG 100 Ca -0.01 0.62 -0.00 0.00 -0.92 0.00 0.00 57.85 57.54 2kfs n ARG 100 Cb 0.36 -1.44 0.27 0.00 0.45 0.00 0.00 32.46 32.10 2kfs n ARG 100 CO 0.00 0.00 0.00 0.11 -2.51 0.00 0.00 177.63 175.23 2kfs h TRP 101 N 0.00 0.17 -0.95 -0.14 5.08 -1.67 -2.38 115.95 116.05 2kfs h TRP 101 Ca 0.00 -0.04 0.08 0.00 1.08 0.00 0.00 58.89 60.00 2kfs h TRP 101 Cb 0.00 -0.04 -0.07 0.00 -3.00 0.00 0.00 29.16 26.05 2kfs h TRP 101 CO -0.18 0.53 0.60 -0.07 -1.28 0.00 0.00 178.44 178.05 2kfs h LEU 102 N 0.12 0.94 -2.02 0.11 3.38 -1.44 -2.45 115.31 113.94 2kfs h LEU 102 Ca 0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2kfs h LEU 102 Cb 0.77 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2kfs h LEU 102 CO 0.06 0.58 0.00 0.49 0.09 0.00 0.00 178.44 179.65 2kfs n PHE 103 N -4.57 0.18 -3.01 1.13 3.72 -0.48 -2.15 117.46 112.28 2kfs n PHE 103 Ca 0.15 -0.10 -0.43 0.00 -0.05 0.00 0.00 57.45 57.03 2kfs n PHE 103 Cb 0.22 -0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.70 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 -1.64 4.74 0.13 4.37 2.01 -0.91 -5.00 115.64 119.35 2kfs s THR 104 Ca 0.29 0.54 -0.31 0.00 0.31 0.00 0.00 61.69 62.52 2kfs s THR 104 Cb 0.19 -4.23 -0.09 0.00 0.01 0.00 0.00 72.50 68.38 2kfs s THR 104 CO 0.28 -0.55 1.56 -2.84 -0.69 0.00 0.00 174.62 172.38 2kfs s PRO 105 N 3.06 4.22 -0.21 4.92 0.02 -1.26 -4.41 135.00 141.35 2kfs s PRO 105 Ca 0.28 2.31 -0.13 0.00 0.02 0.00 0.00 61.00 63.48 2kfs s PRO 105 Cb -0.13 -3.28 -0.04 0.00 0.02 0.00 0.00 34.50 31.07 2kfs s PRO 105 CO 0.19 -0.62 0.29 0.34 -0.33 0.00 0.00 177.00 176.87 2kfs s ASP 106 N 1.45 6.32 0.46 2.53 2.15 -0.55 -4.91 116.67 124.10 2kfs s ASP 106 Ca 0.70 0.36 0.31 0.00 0.43 0.00 0.00 52.55 54.35 2kfs s ASP 106 Cb -0.42 -2.17 1.66 0.00 -0.30 0.00 0.00 42.92 41.69 2kfs s ASP 106 CO 0.31 0.01 1.94 1.55 -0.17 0.00 0.00 175.17 178.82 2kfs h PRO 107 N 7.26 0.00 -0.19 4.34 0.13 -1.90 -1.40 132.00 140.25 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 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2kfs h PRO 107 CO 0.71 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.93 2kfs n SER 108 N -2.59 2.45 -4.41 1.44 2.88 -1.26 -4.66 113.62 107.46 2kfs n SER 108 Ca -0.02 -1.93 -0.37 0.00 -1.33 0.00 0.00 58.87 55.23 2kfs n SER 108 Cb 0.06 -0.12 -0.13 0.00 -0.75 0.00 0.00 64.21 63.27 2kfs n SER 108 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2kfs s LEU 109 N -0.95 3.52 -0.21 2.46 2.96 -0.53 -4.97 118.68 120.95 2kfs s LEU 109 Ca 0.13 -0.34 0.00 0.00 -0.22 0.00 0.00 54.13 53.70 2kfs s LEU 109 Cb 0.07 -1.90 0.03 0.00 0.50 0.00 0.00 46.19 44.88 2kfs s LEU 109 CO 0.09 -0.08 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.02 2kfs s THR 110 N 1.58 2.38 0.10 3.68 2.01 -1.26 -0.18 115.64 123.95 2kfs s THR 110 Ca 0.05 -1.04 0.09 0.00 0.31 0.00 0.00 61.69 61.11 2kfs s THR 110 Cb -0.16 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 2kfs s THR 110 CO 0.03 0.35 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.47 2kfs s ILE 111 N 1.28 2.64 -0.22 1.82 -1.09 0.16 -4.88 121.20 120.91 2kfs s ILE 111 Ca 0.02 -1.51 -0.12 0.00 -2.23 0.00 0.00 60.65 56.80 2kfs s ILE 111 Cb -0.15 -2.18 -0.05 0.00 -1.58 0.00 0.00 42.46 38.51 2kfs s ILE 111 CO -0.09 0.15 0.24 0.42 -1.23 0.00 0.00 174.94 174.44 2kfs s THR 112 N -1.07 5.31 0.72 2.92 -4.23 -1.26 0.40 115.64 118.42 2kfs s THR 112 Ca 0.16 0.38 -0.10 0.00 -1.18 0.00 0.00 61.69 60.95 2kfs s THR 112 Cb -0.10 -3.58 0.04 0.00 1.34 0.00 0.00 72.50 70.20 2kfs s THR 112 CO 0.08 0.33 1.07 -0.13 -0.54 0.00 0.00 174.62 175.43 2kfs s ARG 113 N 1.01 2.45 -0.17 3.99 0.52 -1.26 -4.91 118.95 120.59 2kfs s ARG 113 Ca 0.12 0.12 -0.29 0.00 -0.52 0.00 0.00 55.73 55.17 2kfs s ARG 113 Cb -0.14 -2.07 -0.05 0.00 0.52 0.00 0.00 34.95 33.21 2kfs s ARG 113 CO 0.05 -1.19 2.10 0.34 0.02 0.00 0.00 175.30 176.62 2kfs s ASP 114 N -4.45 5.74 0.00 0.23 2.15 -1.26 -2.56 116.67 116.52 2kfs s ASP 114 Ca 0.59 2.00 0.00 0.00 0.43 0.00 0.00 52.55 55.57 2kfs s ASP 114 Cb -0.11 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 2kfs s ASP 114 CO 0.48 -1.72 0.00 0.61 -0.17 0.00 0.00 175.17 174.38 2kfs n GLY 115 N 5.42 0.85 3.57 2.66 0.00 -1.26 -4.97 105.19 111.45 2kfs n GLY 115 Ca 0.27 -0.77 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.02 4.74 -0.12 1.61 0.01 -1.06 -4.57 113.70 112.30 2kfs s SER 116 Ca 0.00 -0.76 0.19 0.00 1.31 0.00 0.00 55.95 56.69 2kfs s SER 116 Cb 0.00 -2.57 -0.28 0.00 0.21 0.00 0.00 66.02 63.39 2kfs s SER 116 CO 0.00 -3.19 0.24 -2.11 0.41 0.00 0.00 173.24 168.59 2kfs n ARG 117 N 8.68 0.75 -3.48 12.44 1.85 -1.26 -5.03 116.66 130.61 2kfs n ARG 117 Ca 0.42 -0.09 -0.11 0.00 -1.00 0.00 0.00 57.85 57.07 2kfs n ARG 117 Cb 0.46 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.35 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 -4.94 -0.48 -0.13 2.89 2.15 -1.26 -5.16 116.67 109.74 2kfs s ASP 118 Ca -0.09 0.13 -0.07 0.00 0.43 0.00 0.00 52.55 52.95 2kfs s ASP 118 Cb 0.09 0.48 -0.04 0.00 -0.30 0.00 0.00 42.92 43.15 2kfs s ASP 118 CO 0.82 -0.73 0.13 0.00 -0.17 0.00 0.00 175.17 175.23 2kfs s ALA 119 N -2.94 3.84 -0.29 3.66 0.00 -1.26 -4.27 121.76 120.50 2kfs s ALA 119 Ca 0.01 -0.65 -0.09 0.00 0.00 0.00 0.00 51.96 51.22 2kfs s ALA 119 Cb -0.01 -1.97 -0.02 0.00 0.00 0.00 0.00 23.12 21.12 2kfs s ALA 119 CO -0.07 0.58 0.14 0.08 0.00 0.00 0.00 175.76 176.48 2kfs s VAL 120 N -0.90 4.70 0.35 0.00 1.01 0.16 -4.92 120.40 120.81 2kfs s VAL 120 Ca 0.14 -0.21 -0.17 0.00 0.00 0.00 0.00 61.98 61.75 2kfs s VAL 120 Cb -0.12 -3.30 -0.10 0.00 0.00 0.00 0.00 36.38 32.86 2kfs s VAL 120 CO 0.03 0.19 0.80 -0.44 0.00 0.00 0.00 175.10 175.68 2kfs s SER 121 N 1.65 6.83 -0.67 3.32 0.01 -1.26 -0.67 113.70 122.91 2kfs s SER 121 Ca 0.06 1.41 -0.04 0.00 1.31 0.00 0.00 55.95 58.69 2kfs s SER 121 Cb -0.16 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.65 2kfs s SER 121 CO 0.07 -0.25 0.59 -3.20 0.41 0.00 0.00 173.24 170.86 2kfs n ASN 122 N -0.42 -4.09 -4.87 2.44 2.85 0.75 -4.94 115.26 106.97 2kfs n ASN 122 Ca 0.04 -0.27 -0.30 0.00 -0.11 0.00 0.00 54.58 53.94 2kfs n ASN 122 Cb 0.53 -2.75 -0.02 0.00 1.24 0.00 0.00 39.78 38.78 2kfs n ASN 122 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kfs s ALA 123 N -3.16 3.24 -0.04 5.20 0.00 -0.66 -4.27 121.76 122.07 2kfs s ALA 123 Ca 0.28 -0.13 -0.02 0.00 0.00 0.00 0.00 51.96 52.08 2kfs s ALA 123 Cb -0.12 -2.87 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 2kfs s ALA 123 CO 0.36 -0.26 0.10 -0.98 0.00 0.00 0.00 175.76 174.98 2kfs s ARG 124 N -4.33 3.21 0.45 0.00 3.03 -1.26 -1.49 118.95 118.55 2kfs s ARG 124 Ca 0.53 -0.37 0.23 0.00 2.03 0.00 0.00 55.73 58.16 2kfs s ARG 124 Cb -0.10 -2.97 1.23 0.00 -1.03 0.00 0.00 34.95 32.08 2kfs s ARG 124 CO 0.38 0.69 1.81 -1.35 -1.13 0.00 0.00 175.30 175.70 2kfs h PRO 125 N 4.38 0.26 -0.78 3.89 0.11 -1.75 -0.30 132.00 137.81 2kfs h PRO 125 Ca -0.51 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 2kfs h PRO 125 Cb 1.19 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 2kfs h PRO 125 CO 0.62 0.17 0.33 0.28 -0.21 0.00 0.00 178.00 179.20 2kfs h VAL 126 N 0.27 1.26 -0.53 3.15 2.07 -1.77 0.52 116.25 121.22 2kfs h VAL 126 Ca 0.54 -0.78 -0.08 0.00 0.82 0.00 0.00 66.70 67.21 2kfs h VAL 126 Cb 1.60 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 2kfs h VAL 126 CO -0.18 0.32 0.02 -0.78 0.02 0.00 0.00 177.57 176.98 2kfs h ASP 127 N 1.13 0.84 -0.28 0.57 1.82 -1.35 -2.25 116.42 116.90 2kfs h ASP 127 Ca 0.26 -0.20 -0.06 0.00 -0.39 0.00 0.00 57.03 56.64 2kfs h ASP 127 Cb 0.18 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 39.96 2kfs h ASP 127 CO -0.03 0.89 -0.05 0.00 -1.61 0.00 0.00 179.24 178.45 2kfs h ALA 128 N 1.20 0.39 -0.38 -0.78 0.00 -0.96 -2.60 119.26 116.13 2kfs h ALA 128 Ca 0.16 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 2kfs h ALA 128 Cb 0.45 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2kfs h ALA 128 CO 0.02 0.18 -0.14 1.37 0.00 0.00 0.00 179.25 180.69 2kfs h LEU 129 N 0.30 0.66 -0.62 0.00 8.10 -0.62 0.25 115.31 123.38 2kfs h LEU 129 Ca 0.07 -0.20 0.00 0.00 0.11 0.00 0.00 57.88 57.87 2kfs h LEU 129 Cb 0.52 -0.18 0.00 0.00 -0.44 0.00 0.00 40.66 40.56 2kfs h LEU 129 CO 0.02 0.82 0.00 -0.74 -4.11 0.00 0.00 178.44 174.43 2kfs h HIS 130 N 0.61 0.00 -0.32 0.17 2.76 -1.39 -0.78 115.15 116.19 2kfs h HIS 130 Ca 0.10 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 2kfs h HIS 130 Cb 0.58 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.54 2kfs h HIS 130 CO 0.03 0.00 0.00 0.00 -1.30 0.00 0.00 177.93 176.66 2kfs n ALA 131 N -1.87 2.45 -2.21 5.26 0.00 -0.52 -4.92 120.51 118.71 2kfs n ALA 131 Ca 0.03 -0.82 -0.16 0.00 0.00 0.00 0.00 53.44 52.49 2kfs n ALA 131 Cb 0.32 -0.96 -0.01 0.00 0.00 0.00 0.00 19.45 18.80 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 1.06 -0.66 -1.07 0.00 -0.00 -0.30 -4.53 115.22 109.71 2kfs n HIS 132 Ca 0.18 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.88 2kfs n HIS 132 Cb 0.50 -3.17 0.29 0.00 -0.00 0.00 0.00 29.99 27.62 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 -2.50 3.46 0.03 -0.41 1.13 0.77 -4.67 117.38 115.19 2kfs n GLN 133 Ca -0.18 -3.07 0.22 0.00 -1.94 0.00 0.00 57.00 52.03 2kfs n GLN 133 Cb 0.63 -2.11 0.73 0.00 0.11 0.00 0.00 30.24 29.60 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 2.42 2.30 -0.93 -1.58 0.00 -1.79 -1.60 119.26 118.08 2kfs h ALA 134 Ca 0.19 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.22 2kfs h ALA 134 Cb 2.07 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.83 2kfs h ALA 134 CO 0.59 -0.76 0.59 0.07 0.00 0.00 0.00 179.25 179.74 2kfs h ARG 135 N 0.00 0.78 -0.03 0.00 0.11 -1.93 0.86 114.38 114.16 2kfs h ARG 135 Ca 0.25 -0.05 -0.16 0.00 0.10 0.00 0.00 59.98 60.12 2kfs h ARG 135 Cb 1.24 -0.18 -0.01 0.00 1.11 0.00 0.00 29.97 32.12 2kfs h ARG 135 CO -0.00 0.52 -0.70 1.49 0.10 0.00 0.00 179.97 181.38 2kfs h GLU 136 N 0.81 0.18 -0.09 0.08 4.57 -1.69 -1.74 114.58 116.70 2kfs h GLU 136 Ca 0.46 -0.15 -0.02 0.00 -1.18 0.00 0.00 59.36 58.48 2kfs h GLU 136 Cb 0.62 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.23 2kfs h GLU 136 CO -0.22 0.80 -0.02 0.28 -1.18 0.00 0.00 179.01 178.67 2kfs h VAL 137 N 0.12 1.30 -0.62 0.32 2.07 -1.05 0.30 116.25 118.69 2kfs h VAL 137 Ca -0.02 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.52 2kfs h VAL 137 Cb 1.24 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 32.74 2kfs h VAL 137 CO 0.10 0.27 0.30 0.58 0.02 0.00 0.00 177.57 178.84 2kfs h VAL 138 N -0.16 1.22 -0.80 2.57 2.07 -0.93 -0.73 116.25 119.48 2kfs h VAL 138 Ca 0.02 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 66.90 2kfs h VAL 138 Cb 0.43 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 2kfs h VAL 138 CO 0.01 0.25 0.36 -0.09 0.02 0.00 0.00 177.57 178.12 2kfs h ARG 139 N 0.85 1.16 -0.63 1.57 1.12 -1.11 0.18 114.38 117.53 2kfs h ARG 139 Ca 0.21 -0.18 -0.07 0.00 -1.11 0.00 0.00 59.98 58.83 2kfs h ARG 139 Cb 0.12 -0.20 -0.03 0.00 -0.01 0.00 0.00 29.97 29.85 2kfs h ARG 139 CO -0.03 0.91 0.11 -0.09 -3.11 0.00 0.00 179.97 177.77 2kfs h ARG 140 N 1.14 1.01 -0.39 0.20 9.65 0.06 -1.48 114.38 124.58 2kfs h ARG 140 Ca 0.27 -0.25 -0.14 0.00 -1.10 0.00 0.00 59.98 58.76 2kfs h ARG 140 Cb 0.15 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 2kfs h ARG 140 CO -0.03 0.92 -0.31 0.00 2.80 0.00 0.00 179.97 183.36 2kfs h ALA 141 N 1.16 0.72 -0.10 2.80 0.00 -0.44 -1.48 119.26 121.92 2kfs h ALA 141 Ca 0.19 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.70 2kfs h ALA 141 Cb 0.40 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2kfs h ALA 141 CO 0.01 0.66 0.02 1.96 0.00 0.00 0.00 179.25 181.90 2kfs h GLN 142 N 0.72 0.06 0.00 0.00 4.20 -0.21 0.20 115.11 120.07 2kfs h GLN 142 Ca 0.08 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 2kfs h GLN 142 Cb 0.86 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.63 2kfs h GLN 142 CO 0.08 0.04 -0.10 0.00 -0.67 0.00 0.00 178.83 178.18 2kfs h ALA 143 N 1.07 1.22 0.02 3.87 0.00 -1.19 0.19 119.26 124.44 2kfs h ALA 143 Ca 0.05 -0.09 -0.25 0.00 0.00 0.00 0.00 54.91 54.62 2kfs h ALA 143 Cb 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2kfs h ALA 143 CO -0.06 0.12 -1.28 1.98 0.00 0.00 0.00 179.25 180.02 2kfs h MET 144 N 0.00 0.04 0.00 0.00 1.85 -0.46 -3.38 114.93 112.99 2kfs h MET 144 Ca -0.00 -0.07 -0.06 0.00 -0.61 0.00 0.00 59.70 58.96 2kfs h MET 144 Cb 0.33 0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.38 2kfs h MET 144 CO 0.01 0.88 -0.41 0.00 -0.40 0.00 0.00 176.91 177.00 2kfs h ALA 145 N 0.92 0.07 0.00 0.39 0.00 0.20 -3.51 119.26 117.33 2kfs h ALA 145 Ca -0.12 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2kfs h ALA 145 Cb 1.88 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.94 2kfs h ALA 145 CO 0.12 0.26 0.00 0.66 0.00 0.00 0.00 179.25 180.30