#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 3.82 0.00 0.03 0.04 -1.26 -4.98 135.00 132.66 2kfs s PRO 2 Ca 0.00 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.25 2kfs s PRO 2 Cb 0.00 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.86 2kfs s PRO 2 CO 0.00 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 176.82 2kfs n GLY 3 N 0.63 -1.34 3.74 0.56 0.00 -1.26 -5.13 105.19 102.40 2kfs n GLY 3 Ca 0.05 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.06 4.42 -0.18 1.61 3.03 -1.26 -5.00 118.95 120.51 2kfs s ARG 4 Ca 0.00 2.02 -0.08 0.00 2.03 0.00 0.00 55.73 59.69 2kfs s ARG 4 Cb 0.00 -3.20 -0.04 0.00 -1.03 0.00 0.00 34.95 30.68 2kfs s ARG 4 CO 0.00 -0.20 0.10 0.00 -1.13 0.00 0.00 175.30 174.07 2kfs s ALA 5 N -0.04 3.61 0.11 7.88 0.00 -1.26 -5.05 121.76 127.01 2kfs s ALA 5 Ca 0.55 -0.70 -0.33 0.00 0.00 0.00 0.00 51.96 51.47 2kfs s ALA 5 Cb -0.36 -2.03 -0.13 0.00 0.00 0.00 0.00 23.12 20.60 2kfs s ALA 5 CO 0.39 0.25 1.71 -2.30 0.00 0.00 0.00 175.76 175.81 2kfs n PRO 6 N 3.25 2.36 -4.05 0.00 -0.02 -1.26 -4.97 135.00 130.30 2kfs n PRO 6 Ca -0.17 0.86 -0.31 0.00 -2.02 0.00 0.00 63.50 61.85 2kfs n PRO 6 Cb 0.53 -2.67 -0.16 0.00 -0.02 0.00 0.00 33.50 31.17 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 1.95 1.27 0.24 -1.23 0.00 -1.26 -4.96 107.32 103.33 2kfs s GLY 7 Ca 0.82 -1.11 0.02 0.00 0.00 0.00 0.00 44.72 44.45 2kfs s GLY 7 CO 0.40 0.49 1.60 0.23 0.00 0.00 0.00 173.10 175.81 2kfs h SER 8 N 7.99 0.40 -3.39 1.64 0.87 -2.08 -3.41 113.55 115.57 2kfs h SER 8 Ca -0.38 -0.20 -0.61 0.00 -1.23 0.00 0.00 61.79 59.38 2kfs h SER 8 Cb 1.12 -0.11 -0.13 0.00 -0.44 0.00 0.00 62.40 62.84 2kfs h SER 8 CO 0.55 0.83 -0.47 -0.89 -0.53 0.00 0.00 176.83 176.32 2kfs s THR 9 N -4.02 5.38 0.36 2.23 2.01 -1.26 -5.08 115.64 115.26 2kfs s THR 9 Ca -0.05 0.23 0.02 0.00 0.31 0.00 0.00 61.69 62.20 2kfs s THR 9 Cb 0.12 -3.50 -0.02 0.00 0.01 0.00 0.00 72.50 69.11 2kfs s THR 9 CO 0.80 0.39 0.55 -0.76 -0.69 0.00 0.00 174.62 174.91 2kfs s LEU 10 N 0.66 3.93 -1.28 4.42 1.02 -1.26 -4.99 118.68 121.17 2kfs s LEU 10 Ca 0.09 0.21 -0.16 0.00 0.02 0.00 0.00 54.13 54.29 2kfs s LEU 10 Cb -0.12 -3.08 0.10 0.00 0.02 0.00 0.00 46.19 43.11 2kfs s LEU 10 CO 0.01 -0.42 1.68 0.00 0.02 0.00 0.00 176.35 177.64 2kfs n ALA 11 N -1.80 3.84 -2.71 4.21 0.00 -1.26 -4.94 120.51 117.85 2kfs n ALA 11 Ca -0.02 -3.99 -0.37 0.00 0.00 0.00 0.00 53.44 49.05 2kfs n ALA 11 Cb 0.57 -3.41 -0.07 0.00 0.00 0.00 0.00 19.45 16.54 2kfs n ALA 11 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2kfs s ARG 12 N 3.20 4.28 0.17 0.00 3.03 -1.26 -5.05 118.95 123.32 2kfs s ARG 12 Ca 0.50 0.28 0.10 0.00 2.03 0.00 0.00 55.73 58.63 2kfs s ARG 12 Cb 0.03 -3.46 -0.04 0.00 -1.03 0.00 0.00 34.95 30.45 2kfs s ARG 12 CO 0.04 0.14 -0.17 0.14 -1.13 0.00 0.00 175.30 174.32 2kfs s VAL 13 N 0.74 2.81 0.23 4.99 -7.23 -1.26 -5.12 120.40 115.55 2kfs s VAL 13 Ca 0.21 -1.76 0.03 0.00 -1.81 0.00 0.00 61.98 58.65 2kfs s VAL 13 Cb -0.14 -2.36 -0.01 0.00 0.56 0.00 0.00 36.38 34.43 2kfs s VAL 13 CO 0.07 -0.07 0.11 0.61 -0.31 0.00 0.00 175.10 175.52 2kfs n GLY 14 N 0.29 3.52 2.83 2.32 0.00 -1.23 -4.78 105.19 108.14 2kfs n GLY 14 Ca -0.12 -1.95 -0.09 0.00 0.00 0.00 0.00 46.02 43.85 2kfs n GLY 14 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kfs n SER 15 N -1.91 -1.49 -4.74 1.61 2.88 -1.26 -4.70 113.62 104.01 2kfs n SER 15 Ca -0.01 -2.36 -0.40 0.00 -1.33 0.00 0.00 58.87 54.77 2kfs n SER 15 Cb 0.36 2.57 -0.05 0.00 -0.75 0.00 0.00 64.21 66.34 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 -2.49 4.79 0.96 2.46 -1.09 -1.26 -5.04 121.20 119.53 2kfs s ILE 16 Ca 0.17 1.60 -0.11 0.00 -2.23 0.00 0.00 60.65 60.08 2kfs s ILE 16 Cb -0.03 -4.10 0.17 0.00 -1.58 0.00 0.00 42.46 36.92 2kfs s ILE 16 CO 0.12 0.34 1.11 -2.16 -1.23 0.00 0.00 174.94 173.13 2kfs s PRO 17 N 0.10 0.72 -0.14 2.79 0.04 -1.26 -4.84 135.00 132.41 2kfs s PRO 17 Ca 0.38 1.28 -0.28 0.00 0.04 0.00 0.00 61.00 62.42 2kfs s PRO 17 Cb -0.20 -1.71 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 2kfs s PRO 17 CO 0.22 -2.75 0.94 0.00 0.04 0.00 0.00 177.00 175.46 2kfs s ALA 18 N -2.66 3.47 0.00 8.56 0.00 -1.26 -4.79 121.76 125.08 2kfs s ALA 18 Ca 0.66 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.86 2kfs s ALA 18 Cb -0.22 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.53 2kfs s ALA 18 CO 0.59 -0.65 0.00 0.41 0.00 0.00 0.00 175.76 176.11 2kfs n GLY 19 N 3.24 -0.05 3.24 0.00 0.00 -1.26 -4.33 105.19 106.02 2kfs n GLY 19 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 2kfs n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kfs s ASP 20 N -1.00 2.49 0.08 1.61 2.15 -1.26 -3.58 116.67 117.15 2kfs s ASP 20 Ca 0.00 -0.42 -0.28 0.00 0.43 0.00 0.00 52.55 52.27 2kfs s ASP 20 Cb 0.00 -0.26 -0.05 0.00 -0.30 0.00 0.00 42.92 42.31 2kfs s ASP 20 CO 0.00 0.23 0.90 -0.62 -0.17 0.00 0.00 175.17 175.51 2kfs s ASP 21 N -0.70 7.39 -0.01 -0.34 2.15 -1.13 -4.59 116.67 119.44 2kfs s ASP 21 Ca 0.08 1.67 0.13 0.00 0.43 0.00 0.00 52.55 54.85 2kfs s ASP 21 Cb -0.08 -2.55 -0.17 0.00 -0.30 0.00 0.00 42.92 39.82 2kfs s ASP 21 CO -0.00 -0.07 0.38 0.52 -0.17 0.00 0.00 175.17 175.84 2kfs n VAL 22 N 2.94 0.00 -1.82 1.11 0.31 -1.26 -5.01 118.33 114.59 2kfs n VAL 22 Ca 0.01 -0.26 -0.20 0.00 -0.01 0.00 0.00 64.34 63.89 2kfs n VAL 22 Cb 0.50 0.55 0.13 0.00 -0.91 0.00 0.00 33.84 34.10 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 -1.66 0.00 -4.76 7.52 -0.00 -1.26 -4.93 117.00 111.90 2kfs n LEU 23 Ca -0.00 -1.12 -0.39 0.00 -0.00 0.00 0.00 56.01 54.49 2kfs n LEU 23 Cb 0.27 -0.66 -0.05 0.00 -0.00 0.00 0.00 43.42 42.97 2kfs n LEU 23 CO 0.26 -1.10 0.37 -0.62 -0.00 0.00 0.00 177.39 176.30 2kfs s ASP 24 N -4.31 7.12 0.59 1.45 2.15 -1.26 -4.95 116.67 117.46 2kfs s ASP 24 Ca 0.52 1.33 0.29 0.00 0.43 0.00 0.00 52.55 55.11 2kfs s ASP 24 Cb -0.02 -2.42 1.53 0.00 -0.30 0.00 0.00 42.92 41.72 2kfs s ASP 24 CO 0.36 0.11 1.95 -0.65 -0.17 0.00 0.00 175.17 176.77 2kfs h PRO 25 N 5.36 0.00 -0.01 4.34 0.11 -1.99 -0.23 132.00 139.58 2kfs h PRO 25 Ca -0.45 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.59 2kfs h PRO 25 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2kfs h PRO 25 CO 0.69 0.00 -0.32 0.22 -0.21 0.00 0.00 178.00 178.38 2kfs h ASP 26 N 0.00 0.02 -3.06 -2.05 3.58 -2.05 -3.42 116.42 109.44 2kfs h ASP 26 Ca 0.17 -0.01 -0.56 0.00 0.42 0.00 0.00 57.03 57.05 2kfs h ASP 26 Cb 0.96 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.97 2kfs h ASP 26 CO -0.00 0.34 0.74 -1.61 -2.88 0.00 0.00 179.24 175.83 2kfs s GLU 27 N -4.32 4.32 1.07 0.28 2.02 -0.10 -5.02 118.70 116.95 2kfs s GLU 27 Ca -0.03 1.61 -0.17 0.00 0.02 0.00 0.00 54.97 56.40 2kfs s GLU 27 Cb 0.15 -3.61 0.23 0.00 0.10 0.00 0.00 34.13 30.99 2kfs s GLU 27 CO 0.72 -0.51 1.18 -2.14 0.02 0.00 0.00 175.26 174.53 2kfs s PRO 28 N 2.58 -0.17 0.31 0.39 0.02 -1.26 -4.89 135.00 131.98 2kfs s PRO 28 Ca 0.54 -0.07 0.06 0.00 0.02 0.00 0.00 61.00 61.55 2kfs s PRO 28 Cb -0.22 -1.72 -0.03 0.00 0.02 0.00 0.00 34.50 32.54 2kfs s PRO 28 CO 0.18 -3.01 0.26 0.95 -0.33 0.00 0.00 177.00 175.05 2kfs s THR 29 N -3.31 0.00 0.27 0.99 -4.23 -1.26 -3.97 115.64 104.13 2kfs s THR 29 Ca 0.70 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.29 2kfs s THR 29 Cb -0.09 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 71.21 2kfs s THR 29 CO 0.55 0.00 0.12 -0.31 -0.54 0.00 0.00 174.62 174.44 2kfs s TYR 30 N -3.55 2.90 0.20 3.99 2.02 0.14 -4.89 117.35 118.16 2kfs s TYR 30 Ca 0.41 -0.19 0.01 0.00 -0.37 0.00 0.00 57.07 56.92 2kfs s TYR 30 Cb 0.03 -1.37 -0.05 0.00 -0.40 0.00 0.00 41.96 40.17 2kfs s TYR 30 CO 0.25 0.52 0.05 0.34 -1.57 0.00 0.00 175.55 175.15 2kfs s ASP 31 N -3.79 1.02 0.12 2.29 -1.08 -1.26 -0.11 116.67 113.86 2kfs s ASP 31 Ca 0.33 -1.27 -0.25 0.00 -0.52 0.00 0.00 52.55 50.85 2kfs s ASP 31 Cb -0.07 0.17 -0.06 0.00 -1.46 0.00 0.00 42.92 41.51 2kfs s ASP 31 CO 0.23 -0.66 1.65 -0.07 0.52 0.00 0.00 175.17 176.84 2kfs h LEU 32 N 2.60 -0.61 -1.43 -1.34 4.07 -1.98 0.47 115.31 117.08 2kfs h LEU 32 Ca -0.37 0.08 0.05 0.00 0.08 0.00 0.00 57.88 57.72 2kfs h LEU 32 Cb 1.22 0.25 -0.04 0.00 1.08 0.00 0.00 40.66 43.17 2kfs h LEU 32 CO 0.61 -0.28 0.43 1.55 -1.08 0.00 0.00 178.44 179.67 2kfs h PRO 33 N -0.34 0.69 -0.46 1.13 0.13 -1.97 0.11 132.00 131.29 2kfs h PRO 33 Ca 0.05 -0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 65.03 2kfs h PRO 33 Cb 0.41 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 31.37 2kfs h PRO 33 CO -0.18 0.46 -0.17 -0.09 -0.23 0.00 0.00 178.00 177.79 2kfs h ARG 34 N 0.72 0.88 -0.41 0.86 9.65 -1.75 0.47 114.38 124.79 2kfs h ARG 34 Ca 0.27 -0.34 -0.15 0.00 -1.10 0.00 0.00 59.98 58.67 2kfs h ARG 34 Cb 0.17 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.69 2kfs h ARG 34 CO -0.08 0.98 -0.31 0.28 2.80 0.00 0.00 179.97 183.64 2kfs h VAL 35 N 0.78 1.27 -0.96 0.20 2.07 -0.14 -1.94 116.25 117.53 2kfs h VAL 35 Ca 0.12 -1.48 0.02 0.00 0.82 0.00 0.00 66.70 66.18 2kfs h VAL 35 Cb 0.70 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 2kfs h VAL 35 CO 0.05 0.50 0.63 0.00 0.02 0.00 0.00 177.57 178.78 2kfs h ALA 36 N 0.80 1.35 -0.29 1.67 0.00 -0.74 0.05 119.26 122.10 2kfs h ALA 36 Ca 0.08 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2kfs h ALA 36 Cb 0.90 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2kfs h ALA 36 CO 0.08 0.58 -0.16 1.49 0.00 0.00 0.00 179.25 181.24 2kfs h GLU 37 N 1.26 0.51 0.02 0.00 4.81 -0.63 0.13 114.58 120.69 2kfs h GLU 37 Ca 0.37 -0.16 -0.07 0.00 -0.13 0.00 0.00 59.36 59.36 2kfs h GLU 37 Cb -0.07 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.27 2kfs h GLU 37 CO -0.10 0.66 -0.30 -0.07 -0.73 0.00 0.00 179.01 178.48 2kfs h LEU 38 N 0.47 0.22 0.00 1.64 3.38 -0.51 -3.36 115.31 117.15 2kfs h LEU 38 Ca 0.08 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.21 2kfs h LEU 38 Cb 0.55 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2kfs h LEU 38 CO 0.04 1.05 -0.46 -0.07 0.09 0.00 0.00 178.44 179.08 2kfs h LEU 39 N -0.57 0.00 0.09 1.67 3.38 -0.96 -3.48 115.31 115.45 2kfs h LEU 39 Ca -0.04 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 2kfs h LEU 39 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2kfs h LEU 39 CO 0.06 0.02 -0.08 0.61 0.09 0.00 0.00 178.44 179.14 2kfs n GLY 40 N 1.19 0.37 3.50 0.83 0.00 0.41 -5.05 105.19 106.45 2kfs n GLY 40 Ca 0.03 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.36 2.73 0.84 1.61 -7.23 -0.92 -5.06 120.40 110.01 2kfs s VAL 41 Ca 0.02 -2.12 -0.11 0.00 -1.81 0.00 0.00 61.98 57.96 2kfs s VAL 41 Cb -0.01 -2.40 0.10 0.00 0.56 0.00 0.00 36.38 34.63 2kfs s VAL 41 CO 0.02 -0.28 1.09 -2.16 -0.31 0.00 0.00 175.10 173.47 2kfs s PRO 42 N -3.23 1.70 0.43 4.82 0.04 -1.26 -4.48 135.00 133.01 2kfs s PRO 42 Ca 0.27 0.77 0.10 0.00 0.04 0.00 0.00 61.00 62.18 2kfs s PRO 42 Cb -0.07 -1.86 0.97 0.00 0.04 0.00 0.00 34.50 33.58 2kfs s PRO 42 CO 0.15 -1.92 2.05 0.28 0.04 0.00 0.00 177.00 177.59 2kfs h VAL 43 N -1.31 1.03 -0.85 -0.36 2.07 -1.94 -0.74 116.25 114.14 2kfs h VAL 43 Ca -0.48 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 66.95 2kfs h VAL 43 Cb 1.27 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 31.54 2kfs h VAL 43 CO 0.56 0.08 0.53 -1.28 0.02 0.00 0.00 177.57 177.48 2kfs h SER 44 N 0.44 0.84 -0.14 0.57 0.87 -1.97 -0.07 113.55 114.09 2kfs h SER 44 Ca 0.17 0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.60 2kfs h SER 44 Cb 0.13 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 2kfs h SER 44 CO -0.04 0.55 -0.38 0.11 -0.53 0.00 0.00 176.83 176.54 2kfs h LYS 45 N 0.98 0.67 -0.48 2.24 1.57 -1.50 -1.15 116.57 118.91 2kfs h LYS 45 Ca 0.36 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2kfs h LYS 45 Cb 0.14 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 2kfs h LYS 45 CO -0.16 0.94 0.26 0.28 -0.57 0.00 0.00 179.45 180.20 2kfs h VAL 46 N 0.55 1.17 -0.69 0.50 2.07 -1.06 0.12 116.25 118.92 2kfs h VAL 46 Ca 0.05 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.13 2kfs h VAL 46 Cb 0.91 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 2kfs h VAL 46 CO 0.08 0.18 0.43 0.00 0.02 0.00 0.00 177.57 178.29 2kfs h ALA 47 N 1.10 1.48 -0.36 1.67 0.00 -0.86 -0.99 119.26 121.30 2kfs h ALA 47 Ca 0.17 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2kfs h ALA 47 Cb 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2kfs h ALA 47 CO -0.03 0.47 -0.08 1.96 0.00 0.00 0.00 179.25 181.57 2kfs h GLN 48 N 0.93 0.70 -0.45 0.00 4.20 -0.30 -0.79 115.11 119.41 2kfs h GLN 48 Ca 0.25 -0.27 0.03 0.00 0.06 0.00 0.00 58.65 58.72 2kfs h GLN 48 Cb -0.08 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 2kfs h GLN 48 CO -0.05 0.85 0.24 1.96 -0.67 0.00 0.00 178.83 181.16 2kfs h GLN 49 N 0.49 0.48 -0.40 1.46 4.20 -0.12 0.17 115.11 121.39 2kfs h GLN 49 Ca 0.09 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 2kfs h GLN 49 Cb 0.59 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 2kfs h GLN 49 CO 0.04 0.31 0.22 -0.07 -0.67 0.00 0.00 178.83 178.66 2kfs h LEU 50 N 0.49 0.49 -1.28 1.46 3.38 -1.13 -0.17 115.31 118.55 2kfs h LEU 50 Ca 0.18 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2kfs h LEU 50 Cb 0.05 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 2kfs h LEU 50 CO -0.11 0.43 -0.11 0.03 0.09 0.00 0.00 178.44 178.77 2kfs h ARG 51 N 0.51 0.00 -0.02 1.13 3.08 -0.51 -2.74 114.38 115.83 2kfs h ARG 51 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2kfs h ARG 51 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2kfs h ARG 51 CO -0.02 0.11 -0.08 0.39 -1.07 0.00 0.00 179.97 179.30 2kfs n GLU 52 N -3.26 1.74 -2.58 0.04 1.02 0.52 -3.51 120.64 114.61 2kfs n GLU 52 Ca 0.00 -1.24 -0.10 0.00 -0.02 0.00 0.00 57.16 55.81 2kfs n GLU 52 Cb 0.37 -1.47 0.02 0.00 -0.02 0.00 0.00 31.44 30.33 2kfs n GLU 52 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kfs n GLY 53 N 1.28 0.15 0.01 0.62 0.00 -0.76 -4.90 105.19 101.59 2kfs n GLY 53 Ca 0.15 -0.39 0.10 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.79 0.00 -3.72 1.61 -0.00 -0.15 -4.61 115.22 104.56 2kfs n HIS 54 Ca -0.05 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.54 2kfs n HIS 54 Cb 0.55 -0.31 -0.07 0.00 -0.00 0.00 0.00 29.99 30.16 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 -3.91 0.65 0.08 0.27 2.96 -1.14 -3.93 118.68 113.65 2kfs s LEU 55 Ca -0.03 0.02 -0.02 0.00 -0.22 0.00 0.00 54.13 53.88 2kfs s LEU 55 Cb 0.13 1.50 -0.04 0.00 0.50 0.00 0.00 46.19 48.28 2kfs s LEU 55 CO 0.80 -0.57 0.01 0.54 -1.32 0.00 0.00 176.35 175.81 2kfs s VAL 56 N -1.99 0.18 0.15 1.68 0.11 -1.26 -3.96 120.40 115.31 2kfs s VAL 56 Ca -0.09 -1.80 0.01 0.00 -2.93 0.00 0.00 61.98 57.17 2kfs s VAL 56 Cb -0.02 -1.66 -0.04 0.00 -1.53 0.00 0.00 36.38 33.12 2kfs s VAL 56 CO 0.01 -0.83 0.01 0.00 -3.33 0.00 0.00 175.10 170.96 2kfs s ALA 57 N -3.95 1.14 0.30 1.54 0.00 -1.26 -4.77 121.76 114.76 2kfs s ALA 57 Ca 0.12 -1.52 0.06 0.00 0.00 0.00 0.00 51.96 50.62 2kfs s ALA 57 Cb 0.08 0.60 -0.06 0.00 0.00 0.00 0.00 23.12 23.73 2kfs s ALA 57 CO -0.07 -0.36 -0.04 0.14 0.00 0.00 0.00 175.76 175.43 2kfs s VAL 58 N -3.78 1.64 -0.07 0.00 -7.23 0.79 -4.49 120.40 107.26 2kfs s VAL 58 Ca 0.22 -2.10 0.04 0.00 -1.81 0.00 0.00 61.98 58.33 2kfs s VAL 58 Cb 0.07 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.45 2kfs s VAL 58 CO 0.02 -0.23 -0.19 -0.60 -0.31 0.00 0.00 175.10 173.79 2kfs s ARG 59 N -3.74 2.31 -0.17 4.82 3.52 -1.23 -0.26 118.95 124.20 2kfs s ARG 59 Ca 0.31 -0.68 -0.15 0.00 -0.13 0.00 0.00 55.73 55.08 2kfs s ARG 59 Cb 0.05 -1.85 0.05 0.00 -1.56 0.00 0.00 34.95 31.64 2kfs s ARG 59 CO 0.13 0.17 0.44 -0.98 -0.81 0.00 0.00 175.30 174.25 2kfs s ARG 60 N 0.32 0.50 -1.86 5.12 1.70 0.26 -2.84 118.95 122.15 2kfs s ARG 60 Ca -0.13 0.64 0.00 0.00 -0.47 0.00 0.00 55.73 55.77 2kfs s ARG 60 Cb -0.15 0.22 0.00 0.00 -0.57 0.00 0.00 34.95 34.44 2kfs s ARG 60 CO 0.05 -0.07 0.00 0.00 -1.08 0.00 0.00 175.30 174.20 2kfs n ALA 61 N 3.02 -0.27 -0.54 7.88 0.00 -1.26 -0.73 120.51 128.62 2kfs n ALA 61 Ca -0.14 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2kfs n ALA 61 Cb 0.57 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.11 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 0.73 3.32 0.00 0.00 -1.26 -5.06 105.19 102.50 2kfs n GLY 62 Ca -0.18 0.00 -0.30 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 -1.99 1.30 -0.27 -0.02 0.00 0.09 -5.10 107.32 101.34 2kfs s GLY 63 Ca 0.00 -1.16 -0.13 0.00 0.00 0.00 0.00 44.72 43.43 2kfs s GLY 63 CO 0.00 -1.01 0.28 0.14 0.00 0.00 0.00 173.10 172.51 2kfs s VAL 64 N -0.69 5.24 0.15 1.40 1.01 -1.26 -0.58 120.40 125.67 2kfs s VAL 64 Ca 0.10 0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.47 2kfs s VAL 64 Cb -0.10 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 2kfs s VAL 64 CO 0.00 0.21 0.02 0.68 0.00 0.00 0.00 175.10 176.01 2kfs s VAL 65 N 1.87 0.43 -0.09 2.92 -7.23 0.65 -4.68 120.40 114.27 2kfs s VAL 65 Ca 0.11 -1.94 0.04 0.00 -1.81 0.00 0.00 61.98 58.38 2kfs s VAL 65 Cb -0.16 -2.04 0.00 0.00 0.56 0.00 0.00 36.38 34.74 2kfs s VAL 65 CO 0.10 -0.52 -0.22 -0.63 -0.31 0.00 0.00 175.10 173.53 2kfs s ILE 66 N -3.82 1.87 0.39 -0.62 1.01 0.84 -0.15 121.20 120.72 2kfs s ILE 66 Ca 0.23 -0.91 -0.26 0.00 0.00 0.00 0.00 60.65 59.70 2kfs s ILE 66 Cb 0.07 -1.62 -0.11 0.00 0.01 0.00 0.00 42.46 40.81 2kfs s ILE 66 CO 0.02 0.52 1.24 -2.65 0.00 0.00 0.00 174.94 174.06 2kfs n PRO 67 N 3.51 1.90 -0.36 2.79 -0.02 -1.26 0.23 135.00 141.80 2kfs n PRO 67 Ca -0.20 0.67 0.06 0.00 -2.02 0.00 0.00 63.50 62.02 2kfs n PRO 67 Cb 0.53 -2.31 0.23 0.00 -0.02 0.00 0.00 33.50 31.93 2kfs n PRO 67 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2kfs h GLN 68 N 2.16 0.99 0.00 -0.52 1.08 -1.91 -2.01 115.11 114.91 2kfs h GLN 68 Ca -0.47 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 56.67 2kfs h GLN 68 Cb 1.30 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 28.50 2kfs h GLN 68 CO 0.60 0.66 0.00 1.33 -0.95 0.00 0.00 178.83 180.47 2kfs n VAL 69 N -4.59 0.49 1.38 -0.54 0.24 -1.26 -2.10 118.33 111.95 2kfs n VAL 69 Ca 0.18 0.12 0.14 0.00 -2.04 0.00 0.00 64.34 62.75 2kfs n VAL 69 Cb 0.32 -0.87 0.63 0.00 -1.47 0.00 0.00 33.84 32.45 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 -1.25 0.00 -4.37 6.34 3.01 -0.76 -4.76 117.46 115.68 2kfs n PHE 70 Ca 0.08 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.29 2kfs n PHE 70 Cb 0.11 -0.23 -0.13 0.00 -0.01 0.00 0.00 39.48 39.23 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 -2.55 1.86 0.87 1.38 0.40 -0.89 -3.22 117.98 115.83 2kfs s PHE 71 Ca 0.27 -0.41 -0.12 0.00 -0.60 0.00 0.00 56.93 56.08 2kfs s PHE 71 Cb 0.20 -1.03 0.11 0.00 0.51 0.00 0.00 43.02 42.81 2kfs s PHE 71 CO 0.48 0.20 1.14 0.95 0.70 0.00 0.00 175.22 178.69 2kfs s THR 72 N -1.08 2.22 0.45 0.64 -4.23 0.76 -4.88 115.64 109.52 2kfs s THR 72 Ca 0.08 0.07 0.40 0.00 -1.18 0.00 0.00 61.69 61.05 2kfs s THR 72 Cb -0.10 -2.88 0.41 0.00 1.34 0.00 0.00 72.50 71.27 2kfs s THR 72 CO 0.04 -0.09 2.21 -0.55 -0.54 0.00 0.00 174.62 175.69 2kfs h ASN 73 N -1.32 0.00 1.01 3.99 7.08 -1.94 0.78 115.58 125.19 2kfs h ASN 73 Ca -0.49 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.73 2kfs h ASN 73 Cb 1.32 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.56 2kfs h ASN 73 CO 0.62 0.00 -0.00 -1.20 -2.08 0.00 0.00 177.43 174.77 2kfs n SER 74 N -2.95 0.02 0.00 6.14 7.64 -1.26 -4.89 113.62 118.32 2kfs n SER 74 Ca -0.02 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.35 2kfs n SER 74 Cb 0.10 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 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 1.50 0.63 3.78 0.23 0.00 0.27 -5.05 105.19 106.54 2kfs n GLY 75 Ca 0.07 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.74 2.96 0.33 1.61 -1.52 -1.26 -4.64 119.66 116.40 2kfs s GLN 76 Ca 0.00 -0.61 -0.29 0.00 -1.95 0.00 0.00 55.36 52.51 2kfs s GLN 76 Cb 0.00 -2.78 -0.11 0.00 -0.22 0.00 0.00 33.01 29.91 2kfs s GLN 76 CO 0.00 0.60 1.44 0.08 -0.25 0.00 0.00 175.29 177.16 2kfs s VAL 77 N -1.31 2.32 0.15 1.09 1.01 -1.26 -0.17 120.40 122.23 2kfs s VAL 77 Ca 0.27 0.31 -0.31 0.00 0.00 0.00 0.00 61.98 62.24 2kfs s VAL 77 Cb -0.12 -3.20 -0.10 0.00 0.00 0.00 0.00 36.38 32.96 2kfs s VAL 77 CO 0.19 0.07 1.71 -0.69 0.00 0.00 0.00 175.10 176.38 2kfs s VAL 78 N -0.82 2.49 0.48 2.92 1.01 -1.20 -4.81 120.40 120.47 2kfs s VAL 78 Ca 0.54 0.20 0.31 0.00 0.00 0.00 0.00 61.98 63.03 2kfs s VAL 78 Cb -0.44 -3.13 0.34 0.00 0.00 0.00 0.00 36.38 33.15 2kfs s VAL 78 CO 0.55 0.01 2.16 0.07 0.00 0.00 0.00 175.10 177.89 2kfs h LYS 79 N 7.65 0.00 -0.12 2.72 -0.00 -1.95 -0.33 116.57 124.53 2kfs h LYS 79 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.21 2kfs h LYS 79 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.44 2kfs h LYS 79 CO 0.94 0.06 0.00 0.43 -0.00 0.00 0.00 179.45 180.88 2kfs n SER 80 N -3.59 1.96 0.22 7.07 7.64 -1.26 -4.42 113.62 121.24 2kfs n SER 80 Ca -0.02 -1.70 -0.14 0.00 1.01 0.00 0.00 58.87 58.02 2kfs n SER 80 Cb 0.18 -0.07 -0.08 0.00 -1.01 0.00 0.00 64.21 63.22 2kfs n SER 80 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2kfs h LEU 81 N 2.80 -0.49 -2.06 -3.43 5.85 -1.39 -1.13 115.31 115.47 2kfs h LEU 81 Ca 0.00 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 2kfs h LEU 81 Cb 0.60 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 2kfs h LEU 81 CO 0.00 -0.17 -0.04 1.55 -0.34 0.00 0.00 178.44 179.45 2kfs h PRO 82 N -0.83 0.00 -0.21 5.25 0.13 -1.77 -1.65 132.00 132.92 2kfs h PRO 82 Ca -0.06 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.01 2kfs h PRO 82 Cb 0.55 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.68 2kfs h PRO 82 CO 0.10 0.04 -0.12 0.78 -0.23 0.00 0.00 178.00 178.56 2kfs h GLY 83 N 0.14 0.49 1.07 1.56 0.00 -1.75 -1.19 103.07 103.38 2kfs h GLY 83 Ca -0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 47.33 46.75 2kfs h GLY 83 CO 0.00 0.41 -0.20 0.17 0.00 0.00 0.00 176.54 176.93 2kfs h LEU 84 N 0.14 0.95 -0.92 3.11 8.10 -0.67 -1.91 115.31 124.12 2kfs h LEU 84 Ca 0.04 -0.40 -0.03 0.00 0.11 0.00 0.00 57.88 57.60 2kfs h LEU 84 Cb 0.63 -0.26 -0.04 0.00 -0.44 0.00 0.00 40.66 40.55 2kfs h LEU 84 CO 0.03 1.14 0.37 -0.07 -4.11 0.00 0.00 178.44 175.80 2kfs h LEU 85 N 0.77 1.04 -0.25 0.17 3.38 -1.29 -0.90 115.31 118.22 2kfs h LEU 85 Ca 0.10 -0.13 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 2kfs h LEU 85 Cb 0.77 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2kfs h LEU 85 CO 0.06 0.89 -0.49 0.74 0.09 0.00 0.00 178.44 179.73 2kfs h THR 86 N 1.13 1.29 -0.49 0.22 2.02 -1.06 -0.13 112.91 115.90 2kfs h THR 86 Ca 0.27 -1.69 -0.13 0.00 0.77 0.00 0.00 66.41 65.63 2kfs h THR 86 Cb 0.13 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 2kfs h THR 86 CO -0.03 0.54 -0.21 -0.29 0.37 0.00 0.00 175.52 175.90 2kfs h ILE 87 N 0.52 1.27 -0.35 3.11 -0.00 -1.08 -1.65 117.51 119.33 2kfs h ILE 87 Ca 0.01 -1.37 -0.08 0.00 -0.00 0.00 0.00 64.86 63.41 2kfs h ILE 87 Cb 1.09 1.11 -0.02 0.00 -0.00 0.00 0.00 36.82 39.01 2kfs h ILE 87 CO 0.11 0.48 -0.13 -0.07 -0.00 0.00 0.00 178.15 178.53 2kfs h LEU 88 N 0.86 0.61 -0.98 2.19 -0.00 -1.14 -2.58 115.31 114.26 2kfs h LEU 88 Ca 0.11 -0.17 -0.05 0.00 -0.00 0.00 0.00 57.88 57.77 2kfs h LEU 88 Cb 0.79 -0.16 -0.03 0.00 -0.00 0.00 0.00 40.66 41.26 2kfs h LEU 88 CO 0.07 0.76 0.21 -0.74 -0.00 0.00 0.00 178.44 178.74 2kfs h HIS 89 N 0.56 0.97 0.00 1.13 2.76 -0.56 0.57 115.15 120.58 2kfs h HIS 89 Ca 0.10 -0.08 -0.04 0.00 -2.20 0.00 0.00 60.37 58.15 2kfs h HIS 89 Cb 0.56 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.22 2kfs h HIS 89 CO 0.02 0.77 -0.18 0.22 -1.30 0.00 0.00 177.93 177.46 2kfs h ASP 90 N 0.93 0.00 0.19 3.26 3.58 -0.94 -0.57 116.42 122.86 2kfs h ASP 90 Ca 0.21 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.66 2kfs h ASP 90 Cb 0.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.29 2kfs h ASP 90 CO -0.01 0.18 -0.10 0.61 -2.88 0.00 0.00 179.24 177.05 2kfs n GLY 91 N -0.36 -0.64 1.27 -0.78 0.00 -0.45 -4.91 105.19 99.33 2kfs n GLY 91 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 1.23 0.64 3.87 -0.02 0.00 -0.22 -4.87 105.19 105.81 2kfs n GLY 92 Ca 0.16 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 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 3.43 0.45 1.61 1.51 0.07 -4.99 117.35 117.43 2kfs s TYR 93 Ca 0.00 1.07 0.03 0.00 -1.01 0.00 0.00 57.07 57.16 2kfs s TYR 93 Cb 0.00 -2.44 -0.03 0.00 -0.11 0.00 0.00 41.96 39.38 2kfs s TYR 93 CO 0.00 0.00 0.04 -0.98 -1.11 0.00 0.00 175.55 173.50 2kfs s ARG 94 N -3.46 2.03 0.20 -0.62 1.70 -1.26 -4.39 118.95 113.15 2kfs s ARG 94 Ca 0.51 -2.25 -0.11 0.00 -0.47 0.00 0.00 55.73 53.42 2kfs s ARG 94 Cb -0.10 -1.26 0.26 0.00 -0.57 0.00 0.00 34.95 33.28 2kfs s ARG 94 CO 0.26 -0.32 1.71 0.38 -1.08 0.00 0.00 175.30 176.25 2kfs h ASP 95 N 1.61 -0.01 -0.51 -2.89 2.03 -1.88 0.18 116.42 114.95 2kfs h ASP 95 Ca -0.42 0.11 -0.13 0.00 -0.73 0.00 0.00 57.03 55.86 2kfs h ASP 95 Cb 1.28 0.15 -0.01 0.00 -0.83 0.00 0.00 39.33 39.92 2kfs h ASP 95 CO 0.71 0.01 -0.19 0.74 -1.03 0.00 0.00 179.24 179.48 2kfs h THR 96 N 0.25 1.27 -0.28 1.15 2.02 -1.89 -2.64 112.91 112.79 2kfs h THR 96 Ca 0.30 -1.35 -0.08 0.00 0.77 0.00 0.00 66.41 66.04 2kfs h THR 96 Cb 0.43 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 2kfs h THR 96 CO -0.39 0.47 -0.17 -0.33 0.37 0.00 0.00 175.52 175.47 2kfs h GLU 97 N 0.89 0.50 -0.26 6.66 4.39 -1.41 -0.71 114.58 124.63 2kfs h GLU 97 Ca 0.12 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 2kfs h GLU 97 Cb 0.77 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 2kfs h GLU 97 CO 0.06 0.66 0.14 0.82 -1.16 0.00 0.00 179.01 179.53 2kfs h ILE 98 N 0.46 1.12 0.00 3.13 1.08 -0.42 -2.22 117.51 120.65 2kfs h ILE 98 Ca 0.08 -0.30 -0.04 0.00 -0.39 0.00 0.00 64.86 64.21 2kfs h ILE 98 Cb 0.57 0.85 -0.01 0.00 -3.07 0.00 0.00 36.82 35.16 2kfs h ILE 98 CO 0.04 0.11 -0.17 0.24 -0.69 0.00 0.00 178.15 177.68 2kfs h MET 99 N 0.31 0.00 0.15 2.37 2.86 -1.19 -3.06 114.93 116.37 2kfs h MET 99 Ca 0.09 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2kfs h MET 99 Cb 0.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 2kfs h MET 99 CO -0.01 0.17 -0.14 -0.09 1.06 0.00 0.00 176.91 177.89 2kfs h ARG 100 N 0.00 -0.28 -0.09 1.72 2.43 -0.48 -0.90 114.38 116.78 2kfs h ARG 100 Ca -0.00 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.08 2kfs h ARG 100 Cb 0.65 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 2kfs h ARG 100 CO 0.02 -0.18 -0.41 0.11 -1.51 0.00 0.00 179.97 177.99 2kfs h TRP 101 N -0.29 0.24 -0.74 2.20 5.08 -1.64 -2.46 115.95 118.35 2kfs h TRP 101 Ca -0.02 -0.07 -0.05 0.00 1.08 0.00 0.00 58.89 59.84 2kfs h TRP 101 Cb 0.25 -0.05 -0.03 0.00 -3.00 0.00 0.00 29.16 26.32 2kfs h TRP 101 CO -0.11 0.59 0.27 -0.07 -1.28 0.00 0.00 178.44 177.84 2kfs h LEU 102 N 0.18 1.04 -0.10 0.11 3.38 -1.41 -3.14 115.31 115.37 2kfs h LEU 102 Ca 0.02 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2kfs h LEU 102 Cb 0.81 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2kfs h LEU 102 CO 0.06 0.95 -0.87 0.49 0.09 0.00 0.00 178.44 179.16 2kfs n PHE 103 N -4.31 0.00 -2.97 1.13 3.72 -0.35 -3.47 117.46 111.21 2kfs n PHE 103 Ca 0.06 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.03 2kfs n PHE 103 Cb 0.20 -0.04 -0.05 0.00 -0.94 0.00 0.00 39.48 38.65 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 -2.95 4.67 0.17 4.37 2.01 -0.93 -4.95 115.64 118.03 2kfs s THR 104 Ca 0.10 0.51 -0.33 0.00 0.31 0.00 0.00 61.69 62.28 2kfs s THR 104 Cb 0.16 -4.29 -0.13 0.00 0.01 0.00 0.00 72.50 68.25 2kfs s THR 104 CO 0.81 -0.65 1.61 -2.65 -0.69 0.00 0.00 174.62 173.05 2kfs n PRO 105 N 6.64 2.28 -3.09 4.92 -0.02 -1.26 -4.66 135.00 139.81 2kfs n PRO 105 Ca 0.02 0.82 -0.41 0.00 -2.02 0.00 0.00 63.50 61.92 2kfs n PRO 105 Cb 0.48 -2.61 -0.06 0.00 -0.02 0.00 0.00 33.50 31.29 2kfs n PRO 105 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2kfs s ASP 106 N 0.99 6.56 0.55 2.55 2.15 -0.56 -4.79 116.67 124.11 2kfs s ASP 106 Ca 0.78 0.61 0.24 0.00 0.43 0.00 0.00 52.55 54.61 2kfs s ASP 106 Cb -0.64 -2.34 1.55 0.00 -0.30 0.00 0.00 42.92 41.19 2kfs s ASP 106 CO 0.37 -0.43 2.18 1.55 -0.17 0.00 0.00 175.17 178.66 2kfs h PRO 107 N 8.02 0.00 -0.56 4.34 0.13 -1.91 -0.42 132.00 141.59 2kfs h PRO 107 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2kfs h PRO 107 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2kfs h PRO 107 CO 0.79 0.04 0.00 -1.13 -0.23 0.00 0.00 178.00 177.47 2kfs n SER 108 N -4.03 2.98 -4.54 1.44 3.41 -1.26 -3.92 113.62 107.69 2kfs n SER 108 Ca -0.03 -2.00 -0.35 0.00 -0.26 0.00 0.00 58.87 56.23 2kfs n SER 108 Cb 0.12 -0.37 -0.11 0.00 -0.26 0.00 0.00 64.21 63.59 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 -1.01 3.60 -0.20 1.04 2.96 -0.17 -4.99 118.68 119.91 2kfs s LEU 109 Ca 0.37 -0.06 -0.02 0.00 -0.22 0.00 0.00 54.13 54.20 2kfs s LEU 109 Cb 0.19 -1.93 0.06 0.00 0.50 0.00 0.00 46.19 45.01 2kfs s LEU 109 CO 0.25 0.09 0.01 -0.89 -1.32 0.00 0.00 176.35 174.48 2kfs s THR 110 N 0.89 0.81 0.16 3.68 2.01 -1.26 -0.28 115.64 121.65 2kfs s THR 110 Ca 0.03 -0.71 0.04 0.00 0.31 0.00 0.00 61.69 61.37 2kfs s THR 110 Cb -0.14 -1.22 -0.05 0.00 0.01 0.00 0.00 72.50 71.10 2kfs s THR 110 CO 0.02 -0.15 -0.08 0.27 -0.69 0.00 0.00 174.62 174.00 2kfs s ILE 111 N 1.73 1.11 -0.15 1.82 -4.36 -0.84 -4.86 121.20 115.66 2kfs s ILE 111 Ca -0.02 -2.05 -0.21 0.00 -0.26 0.00 0.00 60.65 58.11 2kfs s ILE 111 Cb -0.17 -1.92 -0.03 0.00 1.25 0.00 0.00 42.46 41.58 2kfs s ILE 111 CO -0.07 -0.68 0.63 0.28 0.24 0.00 0.00 174.94 175.33 2kfs s THR 112 N -3.37 5.05 0.71 8.37 -1.32 -1.26 0.00 115.64 123.82 2kfs s THR 112 Ca 0.18 1.22 -0.08 0.00 -1.21 0.00 0.00 61.69 61.81 2kfs s THR 112 Cb 0.03 -3.95 0.05 0.00 -1.51 0.00 0.00 72.50 67.13 2kfs s THR 112 CO 0.02 0.18 1.03 -0.13 -2.21 0.00 0.00 174.62 173.50 2kfs s ARG 113 N 1.45 2.28 -0.54 7.08 0.52 -1.17 -4.91 118.95 123.68 2kfs s ARG 113 Ca 0.31 -0.13 -0.27 0.00 -0.52 0.00 0.00 55.73 55.11 2kfs s ARG 113 Cb -0.16 -2.14 -0.09 0.00 0.52 0.00 0.00 34.95 33.08 2kfs s ARG 113 CO 0.12 -1.22 2.44 -3.47 0.02 0.00 0.00 175.30 173.19 2kfs n ASP 114 N -2.94 2.10 -1.97 0.23 -0.08 -1.26 -1.04 116.55 111.58 2kfs n ASP 114 Ca 0.08 -0.35 -0.10 0.00 -1.51 0.00 0.00 54.79 52.90 2kfs n ASP 114 Cb 0.60 -1.49 0.04 0.00 2.34 0.00 0.00 41.12 42.61 2kfs n ASP 114 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kfs n GLY 115 N 6.08 0.22 2.65 0.27 0.00 -1.26 -5.03 105.19 108.12 2kfs n GLY 115 Ca 0.41 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.26 2.26 0.55 1.61 0.01 -0.21 -5.01 113.70 109.64 2kfs s SER 116 Ca 0.21 -0.68 0.22 0.00 1.31 0.00 0.00 55.95 57.00 2kfs s SER 116 Cb -0.09 0.02 1.50 0.00 0.21 0.00 0.00 66.02 67.65 2kfs s SER 116 CO 0.34 -0.37 2.19 0.08 0.41 0.00 0.00 173.24 175.89 2kfs h ARG 117 N 8.36 0.00 -6.62 12.44 0.11 -1.96 -3.08 114.38 123.63 2kfs h ARG 117 Ca -0.17 0.00 -0.51 0.00 0.10 0.00 0.00 59.98 59.40 2kfs h ARG 117 Cb 1.11 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.16 2kfs h ARG 117 CO 0.33 0.01 0.16 0.16 0.10 0.00 0.00 179.97 180.72 2kfs s ASP 118 N -6.68 7.13 -0.13 0.08 -4.77 -1.26 -4.95 116.67 106.09 2kfs s ASP 118 Ca -0.05 1.51 -0.21 0.00 -3.30 0.00 0.00 52.55 50.50 2kfs s ASP 118 Cb 0.16 -2.45 -0.03 0.00 -1.09 0.00 0.00 42.92 39.50 2kfs s ASP 118 CO 0.62 0.02 0.61 0.00 0.70 0.00 0.00 175.17 177.13 2kfs s ALA 119 N -1.52 3.45 -0.23 2.11 0.00 -1.26 -3.76 121.76 120.55 2kfs s ALA 119 Ca 0.44 -0.10 -0.08 0.00 0.00 0.00 0.00 51.96 52.22 2kfs s ALA 119 Cb -0.17 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 2kfs s ALA 119 CO 0.22 -0.24 0.09 0.08 0.00 0.00 0.00 175.76 175.90 2kfs s VAL 120 N 1.16 4.59 0.17 0.00 1.01 0.10 -4.85 120.40 122.58 2kfs s VAL 120 Ca 0.31 -0.08 -0.26 0.00 0.00 0.00 0.00 61.98 61.94 2kfs s VAL 120 Cb -0.16 -3.13 -0.08 0.00 0.00 0.00 0.00 36.38 33.01 2kfs s VAL 120 CO 0.13 0.36 0.82 -0.44 0.00 0.00 0.00 175.10 175.96 2kfs s SER 121 N 1.29 7.43 -0.40 3.32 0.01 -1.26 -1.98 113.70 122.11 2kfs s SER 121 Ca 0.05 1.70 -0.00 0.00 1.31 0.00 0.00 55.95 59.01 2kfs s SER 121 Cb -0.15 -2.52 -0.00 0.00 0.21 0.00 0.00 66.02 63.56 2kfs s SER 121 CO 0.04 0.17 0.38 -3.20 0.41 0.00 0.00 173.24 171.05 2kfs n ASN 122 N 1.72 -5.05 -4.53 2.44 5.15 0.62 -4.97 115.26 110.63 2kfs n ASN 122 Ca -0.04 -0.06 -0.24 0.00 -0.60 0.00 0.00 54.58 53.64 2kfs n ASN 122 Cb 0.48 -3.28 -0.09 0.00 -0.53 0.00 0.00 39.78 36.37 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 -3.01 2.90 -0.06 5.20 0.00 -1.22 -4.77 121.76 120.80 2kfs s ALA 123 Ca 0.02 -1.79 -0.30 0.00 0.00 0.00 0.00 51.96 49.88 2kfs s ALA 123 Cb -0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 2kfs s ALA 123 CO 0.40 0.28 1.20 -0.98 0.00 0.00 0.00 175.76 176.65 2kfs s ARG 124 N -3.56 4.35 0.61 0.00 1.70 -1.26 -1.50 118.95 119.29 2kfs s ARG 124 Ca 0.30 1.67 0.29 0.00 -0.47 0.00 0.00 55.73 57.53 2kfs s ARG 124 Cb -0.06 -3.56 1.59 0.00 -0.57 0.00 0.00 34.95 32.36 2kfs s ARG 124 CO 0.17 -0.45 1.96 -1.35 -1.08 0.00 0.00 175.30 174.55 2kfs h PRO 125 N 7.46 0.00 -0.78 3.89 0.11 -1.82 -1.69 132.00 139.17 2kfs h PRO 125 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2kfs h PRO 125 Cb 1.16 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 2kfs h PRO 125 CO 0.88 0.00 0.50 0.28 -0.21 0.00 0.00 178.00 179.45 2kfs h VAL 126 N 0.00 1.21 -0.05 3.15 2.07 -1.91 -2.88 116.25 117.83 2kfs h VAL 126 Ca 0.11 -0.40 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 2kfs h VAL 126 Cb 0.83 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 2kfs h VAL 126 CO -0.00 0.20 -0.23 -0.78 0.02 0.00 0.00 177.57 176.78 2kfs h ASP 127 N 1.06 0.08 -0.53 0.57 3.58 -1.65 -1.99 116.42 117.53 2kfs h ASP 127 Ca 0.28 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.68 2kfs h ASP 127 Cb -0.09 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 40.91 2kfs h ASP 127 CO -0.06 0.32 0.21 0.00 -2.88 0.00 0.00 179.24 176.83 2kfs h ALA 128 N 1.69 1.29 -0.24 -0.78 0.00 -1.63 -1.55 119.26 118.05 2kfs h ALA 128 Ca 0.01 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 2kfs h ALA 128 Cb 0.46 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2kfs h ALA 128 CO 0.03 0.52 -0.48 1.37 0.00 0.00 0.00 179.25 180.70 2kfs h LEU 129 N 0.83 0.68 -0.54 0.00 8.10 -1.42 0.41 115.31 123.37 2kfs h LEU 129 Ca 0.19 -0.34 -0.04 0.00 0.11 0.00 0.00 57.88 57.80 2kfs h LEU 129 Cb 0.19 -0.19 -0.01 0.00 -0.44 0.00 0.00 40.66 40.21 2kfs h LEU 129 CO -0.01 1.05 -0.21 -0.74 -4.11 0.00 0.00 178.44 174.42 2kfs h HIS 130 N 0.50 0.00 -0.24 0.17 2.76 -1.51 -2.29 115.15 114.54 2kfs h HIS 130 Ca 0.03 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2kfs h HIS 130 Cb 1.01 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.97 2kfs h HIS 130 CO 0.05 0.21 0.00 0.00 -1.30 0.00 0.00 177.93 176.89 2kfs n ALA 131 N -2.17 2.49 -2.16 5.26 0.00 -0.61 -4.92 120.51 118.41 2kfs n ALA 131 Ca 0.02 -0.58 -0.15 0.00 0.00 0.00 0.00 53.44 52.73 2kfs n ALA 131 Cb 0.53 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.92 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 0.45 -0.61 -1.19 0.00 -0.00 -0.75 -4.87 115.22 108.25 2kfs n HIS 132 Ca 0.15 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.85 2kfs n HIS 132 Cb 0.33 -3.09 0.24 0.00 -0.00 0.00 0.00 29.99 27.47 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 -2.48 2.63 0.02 -0.41 6.02 0.14 -4.73 117.38 118.57 2kfs n GLN 133 Ca -0.18 -3.04 0.22 0.00 -0.01 0.00 0.00 57.00 54.00 2kfs n GLN 133 Cb 0.62 -1.94 0.71 0.00 1.02 0.00 0.00 30.24 30.65 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 1.62 2.31 -0.92 -1.58 0.00 -1.80 -0.78 119.26 118.12 2kfs h ALA 134 Ca 0.19 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.20 2kfs h ALA 134 Cb 1.83 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 19.58 2kfs h ALA 134 CO 0.47 -0.83 0.54 -0.09 0.00 0.00 0.00 179.25 179.34 2kfs h ARG 135 N 0.00 0.83 0.00 0.00 2.43 -1.92 0.96 114.38 116.69 2kfs h ARG 135 Ca 0.26 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.31 2kfs h ARG 135 Cb 1.36 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 2kfs h ARG 135 CO -0.00 0.55 -0.31 0.93 -1.51 0.00 0.00 179.97 179.63 2kfs h GLU 136 N 0.86 0.00 -0.08 0.20 4.39 -1.54 0.66 114.58 119.07 2kfs h GLU 136 Ca 0.46 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 60.06 2kfs h GLU 136 Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2kfs h GLU 136 CO -0.28 0.31 -0.33 0.28 -1.16 0.00 0.00 179.01 177.83 2kfs h VAL 137 N 0.00 1.41 -0.10 3.13 2.07 -1.11 -0.88 116.25 120.77 2kfs h VAL 137 Ca -0.00 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 65.81 2kfs h VAL 137 Cb 0.61 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 2kfs h VAL 137 CO 0.04 0.50 0.05 0.58 0.02 0.00 0.00 177.57 178.76 2kfs h VAL 138 N -0.10 1.00 -0.58 2.57 2.07 -0.45 0.20 116.25 120.96 2kfs h VAL 138 Ca -0.02 -0.04 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 2kfs h VAL 138 Cb 0.98 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 2kfs h VAL 138 CO 0.07 0.02 0.16 0.08 0.02 0.00 0.00 177.57 177.92 2kfs h ARG 139 N 0.11 0.88 -0.77 1.57 -0.00 -0.92 0.48 114.38 115.72 2kfs h ARG 139 Ca 0.04 -0.18 -0.05 0.00 -0.00 0.00 0.00 59.98 59.79 2kfs h ARG 139 Cb 0.00 -0.13 -0.03 0.00 -0.00 0.00 0.00 29.97 29.80 2kfs h ARG 139 CO -0.02 0.78 0.28 0.00 -0.00 0.00 0.00 179.97 181.00 2kfs h ARG 140 N 0.85 1.18 -0.66 0.08 -0.00 -0.74 -2.04 114.38 113.04 2kfs h ARG 140 Ca 0.19 -0.23 -0.01 0.00 -0.50 0.00 0.00 59.98 59.42 2kfs h ARG 140 Cb 0.28 -0.18 -0.03 0.00 0.00 0.00 0.00 29.97 30.04 2kfs h ARG 140 CO -0.00 0.97 0.37 0.00 0.00 0.00 0.00 179.97 181.31 2kfs h ALA 141 N 1.15 0.85 -0.20 0.04 0.00 0.16 -0.86 119.26 120.40 2kfs h ALA 141 Ca 0.25 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.09 2kfs h ALA 141 Cb 0.26 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2kfs h ALA 141 CO -0.02 0.36 -0.01 1.96 0.00 0.00 0.00 179.25 181.55 2kfs h GLN 142 N 0.90 0.05 -0.24 0.00 1.08 -0.65 0.14 115.11 116.38 2kfs h GLN 142 Ca 0.23 -0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.39 2kfs h GLN 142 Cb 0.03 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 2kfs h GLN 142 CO -0.04 0.04 -0.03 0.00 -0.95 0.00 0.00 178.83 177.84 2kfs h ALA 143 N 1.17 1.49 0.02 3.87 0.00 -0.99 -0.45 119.26 124.37 2kfs h ALA 143 Ca 0.09 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2kfs h ALA 143 Cb 0.12 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.80 2kfs h ALA 143 CO -0.16 0.36 -0.33 0.52 0.00 0.00 0.00 179.25 179.64 2kfs h MET 144 N 0.36 0.19 -0.53 0.00 2.86 -0.64 -3.34 114.93 113.82 2kfs h MET 144 Ca 0.08 -0.23 -0.10 0.00 -2.06 0.00 0.00 59.70 57.39 2kfs h MET 144 Cb 0.30 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 2kfs h MET 144 CO 0.01 0.99 -0.08 0.00 1.06 0.00 0.00 176.91 178.90 2kfs h ALA 145 N 0.20 0.85 -0.02 6.32 0.00 -0.57 -3.50 119.26 122.54 2kfs h ALA 145 Ca -0.05 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2kfs h ALA 145 Cb 1.13 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2kfs h ALA 145 CO 0.06 0.65 0.00 0.66 0.00 0.00 0.00 179.25 180.63