#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 -0.25 0.00 3.17 -0.04 -1.26 -4.70 135.00 131.93 2kfs n PRO 2 Ca 0.00 -2.41 0.00 0.00 -0.04 0.00 0.00 63.50 61.05 2kfs n PRO 2 Cb 0.00 -0.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 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 -2.23 2.64 3.73 0.55 0.00 -1.26 -5.06 105.19 103.57 2kfs n GLY 3 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2kfs n GLY 3 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kfs s ARG 4 N -0.41 4.47 -0.32 1.61 3.52 -1.26 -5.01 118.95 121.56 2kfs s ARG 4 Ca 0.00 1.85 0.03 0.00 -0.13 0.00 0.00 55.73 57.48 2kfs s ARG 4 Cb 0.00 -3.27 0.09 0.00 -1.56 0.00 0.00 34.95 30.20 2kfs s ARG 4 CO 0.00 -0.14 0.01 0.00 -0.81 0.00 0.00 175.30 174.35 2kfs s ALA 5 N 0.31 2.81 0.84 6.12 0.00 -1.26 -5.11 121.76 125.47 2kfs s ALA 5 Ca 0.55 -2.25 -0.10 0.00 0.00 0.00 0.00 51.96 50.16 2kfs s ALA 5 Cb -0.32 -1.88 0.10 0.00 0.00 0.00 0.00 23.12 21.03 2kfs s ALA 5 CO 0.34 -1.52 1.11 -2.14 0.00 0.00 0.00 175.76 173.55 2kfs s PRO 6 N 1.00 1.67 -0.85 0.00 0.02 -1.26 -4.89 135.00 130.69 2kfs s PRO 6 Ca 0.03 1.26 -0.08 0.00 0.02 0.00 0.00 61.00 62.24 2kfs s PRO 6 Cb -0.20 -1.82 -0.16 0.00 0.02 0.00 0.00 34.50 32.34 2kfs s PRO 6 CO -0.06 -2.09 3.12 0.41 -0.33 0.00 0.00 177.00 178.05 2kfs n GLY 7 N -0.67 3.55 3.03 0.52 0.00 -1.26 -4.73 105.19 105.63 2kfs n GLY 7 Ca 0.10 -1.29 -0.31 0.00 0.00 0.00 0.00 46.02 44.51 2kfs n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kfs s SER 8 N 2.21 4.64 -0.00 1.61 0.15 -1.26 -4.85 113.70 116.20 2kfs s SER 8 Ca 0.65 -1.90 0.00 0.00 0.70 0.00 0.00 55.95 55.40 2kfs s SER 8 Cb 0.23 -1.58 0.00 0.00 -1.71 0.00 0.00 66.02 62.96 2kfs s SER 8 CO -0.03 -0.32 0.58 1.07 1.20 0.00 0.00 173.24 175.74 2kfs n THR 9 N 4.33 0.01 -4.44 6.45 5.66 -1.26 -5.09 114.28 119.93 2kfs n THR 9 Ca -0.02 -0.01 -0.33 0.00 -3.05 0.00 0.00 64.05 60.65 2kfs n THR 9 Cb 0.42 0.92 -0.10 0.00 -1.55 0.00 0.00 70.33 70.02 2kfs n THR 9 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2kfs s LEU 10 N -0.01 3.26 -0.53 1.09 1.43 -1.26 -5.06 118.68 117.60 2kfs s LEU 10 Ca 0.00 -0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 52.99 2kfs s LEU 10 Cb 0.00 -1.84 0.14 0.00 0.03 0.00 0.00 46.19 44.52 2kfs s LEU 10 CO 0.00 0.30 0.33 0.00 0.23 0.00 0.00 176.35 177.21 2kfs s ALA 11 N -0.99 3.39 -0.42 4.21 0.00 -1.26 -4.93 121.76 121.76 2kfs s ALA 11 Ca 0.17 -3.00 0.04 0.00 0.00 0.00 0.00 51.96 49.17 2kfs s ALA 11 Cb -0.11 -2.50 0.32 0.00 0.00 0.00 0.00 23.12 20.83 2kfs s ALA 11 CO 0.07 -1.98 1.23 0.54 0.00 0.00 0.00 175.76 175.62 2kfs n ARG 12 N 3.84 2.09 0.10 0.00 1.74 -1.26 -3.87 116.66 119.30 2kfs n ARG 12 Ca 0.04 -1.34 0.12 0.00 -0.77 0.00 0.00 57.85 55.90 2kfs n ARG 12 Cb 0.39 -1.66 0.23 0.00 -1.02 0.00 0.00 32.46 30.39 2kfs n ARG 12 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 2kfs h VAL 13 N 1.05 0.00 -1.36 1.55 3.04 -1.91 -3.35 116.25 115.28 2kfs h VAL 13 Ca 0.15 -0.60 -0.68 0.00 -1.01 0.00 0.00 66.70 64.56 2kfs h VAL 13 Cb 1.51 1.36 -0.17 0.00 -2.01 0.00 0.00 31.29 31.97 2kfs h VAL 13 CO 0.36 0.00 1.45 0.61 -1.01 0.00 0.00 177.57 178.98 2kfs n GLY 14 N 1.28 5.10 3.46 3.17 0.00 -0.87 -4.89 105.19 112.45 2kfs n GLY 14 Ca 0.04 -2.11 -0.44 0.00 0.00 0.00 0.00 46.02 43.51 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 -0.01 6.25 -0.25 1.61 0.01 -1.25 -2.62 113.70 117.44 2kfs s SER 15 Ca 0.53 -0.79 -0.08 0.00 1.31 0.00 0.00 55.95 56.92 2kfs s SER 15 Cb 0.27 -2.31 -0.03 0.00 0.21 0.00 0.00 66.02 64.16 2kfs s SER 15 CO -0.17 -0.93 0.09 -0.63 0.41 0.00 0.00 173.24 172.01 2kfs s ILE 16 N 2.83 4.52 0.38 1.44 1.09 -1.26 -5.08 121.20 125.11 2kfs s ILE 16 Ca 0.18 -0.10 -0.27 0.00 -1.10 0.00 0.00 60.65 59.36 2kfs s ILE 16 Cb -0.18 -3.11 -0.09 0.00 -1.06 0.00 0.00 42.46 38.02 2kfs s ILE 16 CO 0.13 0.34 1.28 -2.16 -0.10 0.00 0.00 174.94 174.43 2kfs s PRO 17 N 1.51 4.12 -0.14 2.79 0.04 -1.26 -4.84 135.00 137.23 2kfs s PRO 17 Ca 0.06 2.12 -0.25 0.00 0.04 0.00 0.00 61.00 62.97 2kfs s PRO 17 Cb -0.15 -2.86 -0.02 0.00 0.04 0.00 0.00 34.50 31.51 2kfs s PRO 17 CO 0.05 -0.35 0.79 0.00 0.04 0.00 0.00 177.00 177.53 2kfs s ALA 18 N -1.24 3.45 0.00 8.56 0.00 -1.26 -4.50 121.76 126.76 2kfs s ALA 18 Ca 0.54 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.57 2kfs s ALA 18 Cb -0.37 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.60 2kfs s ALA 18 CO 0.48 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 176.17 2kfs n GLY 19 N 3.37 0.85 3.55 0.00 0.00 -1.26 -4.76 105.19 106.92 2kfs n GLY 19 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 0.71 4.73 0.39 1.61 1.11 -1.26 -2.86 116.67 121.10 2kfs s ASP 20 Ca 0.00 -0.07 -0.24 0.00 0.18 0.00 0.00 52.55 52.43 2kfs s ASP 20 Cb 0.00 -1.49 -0.10 0.00 1.07 0.00 0.00 42.92 42.41 2kfs s ASP 20 CO 0.00 0.27 0.99 -0.62 1.18 0.00 0.00 175.17 176.99 2kfs s ASP 21 N -0.26 6.95 -0.01 0.27 2.15 -0.55 -4.37 116.67 120.85 2kfs s ASP 21 Ca 0.04 1.88 0.06 0.00 0.43 0.00 0.00 52.55 54.97 2kfs s ASP 21 Cb -0.13 -2.57 -0.08 0.00 -0.30 0.00 0.00 42.92 39.84 2kfs s ASP 21 CO 0.02 -0.35 0.19 0.52 -0.17 0.00 0.00 175.17 175.38 2kfs n VAL 22 N -0.08 0.00 -2.52 1.11 0.31 -1.26 -5.00 118.33 110.89 2kfs n VAL 22 Ca 0.05 -0.23 -0.25 0.00 -0.01 0.00 0.00 64.34 63.90 2kfs n VAL 22 Cb 0.51 0.62 0.13 0.00 -0.91 0.00 0.00 33.84 34.19 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 -2.96 2.91 -0.12 7.52 0.05 -1.26 -5.04 118.68 119.79 2kfs s LEU 23 Ca -0.00 -0.38 -0.04 0.00 0.05 0.00 0.00 54.13 53.76 2kfs s LEU 23 Cb 0.04 -1.84 -0.03 0.00 -2.05 0.00 0.00 46.19 42.31 2kfs s LEU 23 CO 0.26 -2.08 0.03 -0.62 -0.55 0.00 0.00 176.35 173.38 2kfs s ASP 24 N -4.81 5.42 0.65 1.48 2.15 -1.26 -4.99 116.67 115.31 2kfs s ASP 24 Ca 0.69 0.15 0.30 0.00 0.43 0.00 0.00 52.55 54.12 2kfs s ASP 24 Cb -0.04 -1.68 1.61 0.00 -0.30 0.00 0.00 42.92 42.51 2kfs s ASP 24 CO 0.46 0.32 1.92 -0.65 -0.17 0.00 0.00 175.17 177.06 2kfs h PRO 25 N 5.57 0.00 0.00 4.34 0.11 -2.00 0.23 132.00 140.25 2kfs h PRO 25 Ca -0.47 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 2kfs h PRO 25 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2kfs h PRO 25 CO 0.59 0.00 -0.29 0.22 -0.21 0.00 0.00 178.00 178.30 2kfs h ASP 26 N 0.00 0.00 -4.13 -2.05 3.58 -2.04 -3.44 116.42 108.33 2kfs h ASP 26 Ca 0.03 0.00 -0.48 0.00 0.42 0.00 0.00 57.03 57.00 2kfs h ASP 26 Cb 0.73 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.81 2kfs h ASP 26 CO -0.00 0.29 0.38 -1.61 -2.88 0.00 0.00 179.24 175.42 2kfs s GLU 27 N -3.58 3.68 -0.24 0.28 2.02 0.81 -4.92 118.70 116.75 2kfs s GLU 27 Ca 0.01 1.23 -0.32 0.00 0.02 0.00 0.00 54.97 55.91 2kfs s GLU 27 Cb 0.10 -2.08 -0.08 0.00 0.10 0.00 0.00 34.13 32.16 2kfs s GLU 27 CO 0.66 -0.51 2.16 -0.35 0.02 0.00 0.00 175.26 177.24 2kfs n PRO 28 N -1.41 1.70 -4.51 0.39 -0.04 -1.26 -4.89 135.00 124.98 2kfs n PRO 28 Ca 0.09 0.50 -0.24 0.00 -0.04 0.00 0.00 63.50 63.81 2kfs n PRO 28 Cb 0.53 -2.87 -0.11 0.00 -0.04 0.00 0.00 33.50 31.02 2kfs n PRO 28 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2kfs s THR 29 N 7.23 1.57 0.19 0.52 2.01 -1.26 -2.06 115.64 123.84 2kfs s THR 29 Ca 1.03 -2.02 0.06 0.00 0.31 0.00 0.00 61.69 61.07 2kfs s THR 29 Cb -0.58 -2.84 -0.05 0.00 0.01 0.00 0.00 72.50 69.05 2kfs s THR 29 CO 0.43 -0.03 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.91 2kfs s TYR 30 N -3.03 1.54 0.24 4.92 2.02 0.12 -4.47 117.35 118.68 2kfs s TYR 30 Ca 0.35 -0.69 0.01 0.00 -0.37 0.00 0.00 57.07 56.37 2kfs s TYR 30 Cb 0.09 -0.77 -0.05 0.00 -0.40 0.00 0.00 41.96 40.82 2kfs s TYR 30 CO 0.16 0.20 0.07 0.34 -1.57 0.00 0.00 175.55 174.76 2kfs s ASP 31 N -3.27 1.17 0.12 2.29 -1.08 -1.26 -0.53 116.67 114.11 2kfs s ASP 31 Ca 0.21 -1.33 -0.30 0.00 -0.52 0.00 0.00 52.55 50.61 2kfs s ASP 31 Cb 0.02 0.16 -0.08 0.00 -1.46 0.00 0.00 42.92 41.55 2kfs s ASP 31 CO 0.05 -0.69 1.59 -0.07 0.52 0.00 0.00 175.17 176.57 2kfs h LEU 32 N 2.47 -1.23 -1.60 -1.34 3.38 -1.96 0.25 115.31 115.29 2kfs h LEU 32 Ca -0.38 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 2kfs h LEU 32 Cb 1.24 0.48 -0.01 0.00 0.09 0.00 0.00 40.66 42.45 2kfs h LEU 32 CO 0.61 -0.46 -0.05 1.55 0.09 0.00 0.00 178.44 180.18 2kfs h PRO 33 N -0.59 0.20 -0.23 1.13 0.13 -1.98 -2.55 132.00 128.11 2kfs h PRO 33 Ca 0.04 -0.03 -0.16 0.00 -0.87 0.00 0.00 66.00 64.98 2kfs h PRO 33 Cb 0.65 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.74 2kfs h PRO 33 CO -0.29 0.26 -0.50 0.00 -0.23 0.00 0.00 178.00 177.25 2kfs h ARG 34 N 0.19 0.62 -0.32 0.86 -0.00 -1.54 0.19 114.38 114.38 2kfs h ARG 34 Ca 0.04 -0.37 -0.13 0.00 -0.50 0.00 0.00 59.98 59.03 2kfs h ARG 34 Cb 0.22 0.03 -0.01 0.00 0.00 0.00 0.00 29.97 30.21 2kfs h ARG 34 CO 0.01 0.98 -0.29 0.28 0.00 0.00 0.00 179.97 180.94 2kfs h VAL 35 N 0.49 1.29 -0.92 2.04 2.07 -0.35 0.18 116.25 121.06 2kfs h VAL 35 Ca 0.02 -1.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.07 2kfs h VAL 35 Cb 1.04 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 32.27 2kfs h VAL 35 CO 0.10 0.47 0.53 0.00 0.02 0.00 0.00 177.57 178.69 2kfs h ALA 36 N 0.73 1.21 -0.29 1.67 0.00 -1.33 -0.22 119.26 121.04 2kfs h ALA 36 Ca 0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2kfs h ALA 36 Cb 0.87 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2kfs h ALA 36 CO 0.07 0.66 0.05 1.49 0.00 0.00 0.00 179.25 181.52 2kfs h GLU 37 N 1.27 0.47 0.02 0.00 4.81 -0.37 -0.23 114.58 120.56 2kfs h GLU 37 Ca 0.33 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2kfs h GLU 37 Cb -0.02 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.31 2kfs h GLU 37 CO -0.06 0.58 -0.01 1.25 -0.73 0.00 0.00 179.01 180.05 2kfs h LEU 38 N 0.29 -0.02 -0.02 1.64 5.85 -0.20 -3.10 115.31 119.74 2kfs h LEU 38 Ca 0.09 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2kfs h LEU 38 Cb 0.34 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.38 2kfs h LEU 38 CO 0.01 0.26 -0.22 0.18 -0.34 0.00 0.00 178.44 178.33 2kfs n LEU 39 N -4.97 0.25 -1.24 2.25 4.77 -0.13 -4.91 117.00 113.02 2kfs n LEU 39 Ca -0.08 0.25 -0.11 0.00 -0.03 0.00 0.00 56.01 56.04 2kfs n LEU 39 Cb 0.16 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 40.88 2kfs n LEU 39 CO 0.33 0.06 -0.14 0.61 -1.33 0.00 0.00 177.39 176.92 2kfs n GLY 40 N 1.48 0.01 3.43 -0.72 0.00 -0.20 -5.02 105.19 104.17 2kfs n GLY 40 Ca 0.07 -0.43 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.55 2.21 0.69 1.61 -7.23 -0.61 -5.03 120.40 109.50 2kfs s VAL 41 Ca 0.00 -2.33 -0.11 0.00 -1.81 0.00 0.00 61.98 57.73 2kfs s VAL 41 Cb 0.00 -2.23 0.00 0.00 0.56 0.00 0.00 36.38 34.71 2kfs s VAL 41 CO 0.00 -0.45 1.06 -2.16 -0.31 0.00 0.00 175.10 173.23 2kfs s PRO 42 N -3.56 3.02 0.45 4.82 0.04 -1.26 -4.40 135.00 134.11 2kfs s PRO 42 Ca 0.28 0.92 0.14 0.00 0.04 0.00 0.00 61.00 62.38 2kfs s PRO 42 Cb -0.03 -2.00 1.06 0.00 0.04 0.00 0.00 34.50 33.57 2kfs s PRO 42 CO 0.12 -1.03 2.03 0.28 0.04 0.00 0.00 177.00 178.43 2kfs h VAL 43 N -0.67 0.94 -0.76 -0.36 2.07 -1.93 -0.70 116.25 114.85 2kfs h VAL 43 Ca -0.44 -0.12 0.05 0.00 0.82 0.00 0.00 66.70 67.02 2kfs h VAL 43 Cb 1.21 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 2kfs h VAL 43 CO 0.58 0.06 0.46 -1.28 0.02 0.00 0.00 177.57 177.41 2kfs h SER 44 N 0.34 0.72 0.30 0.57 0.87 -1.99 0.15 113.55 114.51 2kfs h SER 44 Ca 0.20 0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.66 2kfs h SER 44 Cb 0.37 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 2kfs h SER 44 CO -0.05 0.47 -0.49 0.50 -0.53 0.00 0.00 176.83 176.74 2kfs h LYS 45 N 0.86 0.23 -0.52 2.24 3.64 -1.51 -2.04 116.57 119.47 2kfs h LYS 45 Ca 0.33 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 2kfs h LYS 45 Cb 0.13 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 2kfs h LYS 45 CO -0.16 0.67 0.25 0.28 -2.27 0.00 0.00 179.45 178.22 2kfs h VAL 46 N 0.18 1.19 -0.72 2.00 2.07 -0.79 -0.47 116.25 119.72 2kfs h VAL 46 Ca 0.01 -0.54 0.02 0.00 0.82 0.00 0.00 66.70 67.01 2kfs h VAL 46 Cb 0.93 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 2kfs h VAL 46 CO 0.07 0.22 0.48 0.00 0.02 0.00 0.00 177.57 178.36 2kfs h ALA 47 N 1.09 1.54 -0.38 1.67 0.00 -0.39 -0.49 119.26 122.30 2kfs h ALA 47 Ca 0.18 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 2kfs h ALA 47 Cb 0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2kfs h ALA 47 CO -0.02 0.40 -0.35 1.96 0.00 0.00 0.00 179.25 181.24 2kfs h GLN 48 N 0.92 0.92 -0.17 0.00 1.08 -0.68 -0.70 115.11 116.48 2kfs h GLN 48 Ca 0.28 -0.47 -0.11 0.00 -1.45 0.00 0.00 58.65 56.89 2kfs h GLN 48 Cb -0.02 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.41 2kfs h GLN 48 CO -0.07 1.13 -0.37 -0.56 -0.95 0.00 0.00 178.83 178.00 2kfs h GLN 49 N 0.73 0.37 -0.83 1.46 3.07 -0.54 -0.90 115.11 118.47 2kfs h GLN 49 Ca 0.06 -0.17 -0.03 0.00 0.09 0.00 0.00 58.65 58.60 2kfs h GLN 49 Cb 0.95 -0.01 -0.04 0.00 0.08 0.00 0.00 27.48 28.46 2kfs h GLN 49 CO 0.09 0.69 0.39 -0.07 0.09 0.00 0.00 178.83 180.02 2kfs h LEU 50 N 0.31 1.09 -1.32 0.06 3.38 -0.93 -2.17 115.31 115.74 2kfs h LEU 50 Ca 0.03 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2kfs h LEU 50 Cb 0.80 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 2kfs h LEU 50 CO 0.06 0.93 -0.08 0.03 0.09 0.00 0.00 178.44 179.47 2kfs h ARG 51 N 1.19 0.00 0.00 1.13 3.08 -0.24 -2.84 114.38 116.70 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 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2kfs h ARG 51 CO -0.03 0.08 0.00 0.39 -1.07 0.00 0.00 179.97 179.33 2kfs n GLU 52 N -3.21 0.11 -2.21 0.04 1.02 -0.43 -2.04 120.64 113.92 2kfs n GLU 52 Ca 0.00 0.17 -0.09 0.00 -0.02 0.00 0.00 57.16 57.23 2kfs n GLU 52 Cb 0.35 -1.65 -0.00 0.00 -0.02 0.00 0.00 31.44 30.12 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 0.96 0.03 0.10 0.62 0.00 -1.07 -4.55 105.19 101.29 2kfs n GLY 53 Ca 0.05 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.98 0.30 -3.68 1.61 -0.00 -0.99 -4.32 115.22 104.15 2kfs n HIS 54 Ca -0.10 0.10 -0.13 0.00 -0.00 0.00 0.00 57.72 57.59 2kfs n HIS 54 Cb 0.57 -1.05 -0.07 0.00 -0.00 0.00 0.00 29.99 29.44 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 -5.88 0.46 0.19 0.27 2.96 -1.16 -3.77 118.68 111.75 2kfs s LEU 55 Ca -0.14 0.07 0.05 0.00 -0.22 0.00 0.00 54.13 53.89 2kfs s LEU 55 Cb 0.07 1.66 -0.05 0.00 0.50 0.00 0.00 46.19 48.37 2kfs s LEU 55 CO 0.79 -0.60 -0.09 0.68 -1.32 0.00 0.00 176.35 175.81 2kfs s VAL 56 N -2.09 1.33 0.11 1.68 -7.23 -1.26 -4.09 120.40 108.84 2kfs s VAL 56 Ca -0.08 -2.10 0.05 0.00 -1.81 0.00 0.00 61.98 58.05 2kfs s VAL 56 Cb -0.02 -2.04 -0.04 0.00 0.56 0.00 0.00 36.38 34.84 2kfs s VAL 56 CO 0.00 -0.59 -0.13 0.00 -0.31 0.00 0.00 175.10 174.07 2kfs s ALA 57 N -3.23 1.37 0.26 1.32 0.00 -1.26 -4.71 121.76 115.50 2kfs s ALA 57 Ca 0.21 -1.23 0.04 0.00 0.00 0.00 0.00 51.96 50.99 2kfs s ALA 57 Cb 0.02 -0.06 -0.06 0.00 0.00 0.00 0.00 23.12 23.03 2kfs s ALA 57 CO 0.05 0.08 -0.00 0.14 0.00 0.00 0.00 175.76 176.03 2kfs s VAL 58 N -2.07 1.19 -0.08 0.00 -7.23 0.40 -4.33 120.40 108.28 2kfs s VAL 58 Ca 0.06 -2.05 0.04 0.00 -1.81 0.00 0.00 61.98 58.23 2kfs s VAL 58 Cb -0.05 -2.46 -0.01 0.00 0.56 0.00 0.00 36.38 34.41 2kfs s VAL 58 CO 0.02 -0.25 -0.20 -0.13 -0.31 0.00 0.00 175.10 174.24 2kfs s ARG 59 N -3.84 2.77 -0.03 4.82 0.52 -1.14 -0.27 118.95 121.79 2kfs s ARG 59 Ca 0.30 -0.80 -0.01 0.00 -0.52 0.00 0.00 55.73 54.71 2kfs s ARG 59 Cb 0.06 -2.33 0.03 0.00 0.52 0.00 0.00 34.95 33.23 2kfs s ARG 59 CO 0.11 0.38 0.04 -0.98 0.02 0.00 0.00 175.30 174.87 2kfs s ARG 60 N -0.14 -0.05 -1.94 3.54 3.03 0.43 -1.49 118.95 122.34 2kfs s ARG 60 Ca -0.03 0.24 0.00 0.00 2.03 0.00 0.00 55.73 57.97 2kfs s ARG 60 Cb -0.14 -0.32 0.00 0.00 -1.03 0.00 0.00 34.95 33.46 2kfs s ARG 60 CO 0.04 -0.21 0.00 0.00 -1.13 0.00 0.00 175.30 174.00 2kfs n ALA 61 N 4.48 -0.34 -0.27 7.88 0.00 -1.26 -0.30 120.51 130.69 2kfs n ALA 61 Ca -0.21 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2kfs n ALA 61 Cb 0.50 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 -0.44 0.67 3.81 0.00 0.00 -1.26 -5.05 105.19 102.91 2kfs n GLY 62 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.36 2.18 -0.27 -0.02 0.00 0.59 -5.06 107.32 103.38 2kfs s GLY 63 Ca 0.00 -0.57 -0.13 0.00 0.00 0.00 0.00 44.72 44.02 2kfs s GLY 63 CO 0.00 -0.04 0.30 0.14 0.00 0.00 0.00 173.10 173.50 2kfs s VAL 64 N -0.43 5.23 0.13 1.40 1.01 -1.26 -0.42 120.40 126.06 2kfs s VAL 64 Ca 0.15 0.43 0.02 0.00 0.00 0.00 0.00 61.98 62.58 2kfs s VAL 64 Cb -0.13 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2kfs s VAL 64 CO 0.04 0.21 -0.05 0.68 0.00 0.00 0.00 175.10 175.98 2kfs s VAL 65 N 1.84 0.76 -0.14 2.92 -7.23 0.63 -3.64 120.40 115.54 2kfs s VAL 65 Ca 0.12 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.33 2kfs s VAL 65 Cb -0.16 -1.87 0.02 0.00 0.56 0.00 0.00 36.38 34.94 2kfs s VAL 65 CO 0.10 -0.71 -0.14 -0.63 -0.31 0.00 0.00 175.10 173.41 2kfs s ILE 66 N -3.59 1.53 0.00 -0.62 1.09 0.31 -0.45 121.20 119.47 2kfs s ILE 66 Ca 0.17 -0.61 -0.35 0.00 -1.10 0.00 0.00 60.65 58.76 2kfs s ILE 66 Cb 0.05 -1.44 -0.13 0.00 -1.06 0.00 0.00 42.46 39.88 2kfs s ILE 66 CO -0.01 0.45 1.71 -2.65 -0.10 0.00 0.00 174.94 174.35 2kfs n PRO 67 N 4.70 2.00 0.26 2.79 -0.02 -1.26 0.11 135.00 143.57 2kfs n PRO 67 Ca -0.17 0.73 0.12 0.00 -2.02 0.00 0.00 63.50 62.16 2kfs n PRO 67 Cb 0.50 -2.51 0.70 0.00 -0.02 0.00 0.00 33.50 32.17 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 7.44 0.00 0.00 -0.52 4.15 -1.64 -1.02 115.11 123.51 2kfs h GLN 68 Ca -0.47 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.95 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 0.91 0.13 0.00 1.33 -1.93 0.00 0.00 178.83 179.27 2kfs n VAL 69 N -3.71 1.14 0.83 2.39 0.24 -1.25 -1.38 118.33 116.60 2kfs n VAL 69 Ca -0.02 0.37 0.13 0.00 -2.04 0.00 0.00 64.34 62.78 2kfs n VAL 69 Cb 0.24 -1.26 0.53 0.00 -1.47 0.00 0.00 33.84 31.88 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 -1.86 0.26 -4.09 6.34 3.01 -0.39 -4.70 117.46 116.03 2kfs n PHE 70 Ca 0.02 0.08 -0.31 0.00 1.01 0.00 0.00 57.45 58.25 2kfs n PHE 70 Cb 0.14 -0.63 -0.07 0.00 -0.01 0.00 0.00 39.48 38.91 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 -3.04 3.11 1.01 1.38 0.40 -0.48 -2.70 117.98 117.66 2kfs s PHE 71 Ca 0.12 0.04 -0.16 0.00 -0.60 0.00 0.00 56.93 56.34 2kfs s PHE 71 Cb 0.16 -1.60 0.20 0.00 0.51 0.00 0.00 43.02 42.30 2kfs s PHE 71 CO 0.51 0.50 1.21 0.95 0.70 0.00 0.00 175.22 179.10 2kfs s THR 72 N -1.33 1.89 0.51 0.64 -4.23 0.12 -4.87 115.64 108.36 2kfs s THR 72 Ca 0.27 0.00 0.34 0.00 -1.18 0.00 0.00 61.69 61.13 2kfs s THR 72 Cb -0.12 -2.80 0.37 0.00 1.34 0.00 0.00 72.50 71.29 2kfs s THR 72 CO 0.20 0.00 2.21 -1.13 -0.54 0.00 0.00 174.62 175.36 2kfs h ASN 73 N -1.83 0.00 -0.02 3.99 -1.24 -1.88 -1.15 115.58 113.44 2kfs h ASN 73 Ca -0.46 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.55 2kfs h ASN 73 Cb 1.28 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.33 2kfs h ASN 73 CO 0.44 0.04 0.00 -1.20 -1.29 0.00 0.00 177.43 175.42 2kfs n SER 74 N -3.45 0.63 -0.70 1.15 7.64 -1.26 -4.90 113.62 112.72 2kfs n SER 74 Ca -0.02 -1.28 -0.07 0.00 1.01 0.00 0.00 58.87 58.51 2kfs n SER 74 Cb 0.15 -0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.33 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 1.04 0.28 3.57 0.23 0.00 -0.43 -5.03 105.19 104.84 2kfs n GLY 75 Ca 0.20 -0.64 -0.28 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.92 2.07 0.21 1.61 -0.21 -1.26 -4.87 119.66 113.29 2kfs s GLN 76 Ca 0.00 -1.18 -0.30 0.00 0.02 0.00 0.00 55.36 53.90 2kfs s GLN 76 Cb 0.00 -2.21 -0.09 0.00 1.00 0.00 0.00 33.01 31.72 2kfs s GLN 76 CO 0.00 0.46 1.25 0.08 -2.12 0.00 0.00 175.29 174.96 2kfs s VAL 77 N -1.52 3.30 0.29 1.09 1.01 -1.26 0.14 120.40 123.46 2kfs s VAL 77 Ca 0.23 1.12 -0.30 0.00 0.00 0.00 0.00 61.98 63.03 2kfs s VAL 77 Cb -0.10 -3.72 -0.12 0.00 0.00 0.00 0.00 36.38 32.45 2kfs s VAL 77 CO 0.14 0.19 1.59 0.52 0.00 0.00 0.00 175.10 177.55 2kfs n VAL 78 N 2.28 1.04 0.12 2.92 0.31 -1.10 -4.83 118.33 119.08 2kfs n VAL 78 Ca 0.04 -0.26 0.08 0.00 -0.01 0.00 0.00 64.34 64.20 2kfs n VAL 78 Cb 0.43 -1.95 0.57 0.00 -0.91 0.00 0.00 33.84 31.98 2kfs n VAL 78 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 2kfs h LYS 79 N 4.74 0.20 -0.12 5.55 2.10 -1.94 0.34 116.57 127.45 2kfs h LYS 79 Ca -0.47 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 2kfs h LYS 79 Cb 1.23 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 2kfs h LYS 79 CO 0.79 0.13 0.00 0.43 -2.00 0.00 0.00 179.45 178.80 2kfs n SER 80 N -4.50 1.55 0.20 7.07 7.64 -1.26 -4.21 113.62 120.11 2kfs n SER 80 Ca 0.01 -1.63 -0.15 0.00 1.01 0.00 0.00 58.87 58.12 2kfs n SER 80 Cb 0.16 -0.07 -0.08 0.00 -1.01 0.00 0.00 64.21 63.21 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 2.16 -0.40 -1.64 -3.43 7.12 -1.25 -0.15 115.31 117.72 2kfs h LEU 81 Ca 0.00 -0.08 -0.03 0.00 0.13 0.00 0.00 57.88 57.90 2kfs h LEU 81 Cb 0.47 0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.70 2kfs h LEU 81 CO 0.00 -0.16 -0.10 -0.65 -0.13 0.00 0.00 178.44 177.40 2kfs h PRO 82 N -0.63 0.11 -0.35 5.25 0.11 -1.73 -2.32 132.00 132.43 2kfs h PRO 82 Ca -0.05 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.01 2kfs h PRO 82 Cb 0.46 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 2kfs h PRO 82 CO 0.08 0.21 0.09 0.78 -0.21 0.00 0.00 178.00 178.95 2kfs h GLY 83 N 0.49 0.61 1.10 -0.55 0.00 -1.68 1.00 103.07 104.04 2kfs h GLY 83 Ca 0.02 -0.38 -0.12 0.00 0.00 0.00 0.00 47.33 46.85 2kfs h GLY 83 CO 0.01 0.35 -0.15 0.17 0.00 0.00 0.00 176.54 176.92 2kfs h LEU 84 N 0.42 1.04 -0.29 3.11 8.10 -0.71 -2.16 115.31 124.83 2kfs h LEU 84 Ca 0.11 -0.37 -0.01 0.00 0.11 0.00 0.00 57.88 57.72 2kfs h LEU 84 Cb 0.30 -0.29 -0.01 0.00 -0.44 0.00 0.00 40.66 40.22 2kfs h LEU 84 CO 0.00 1.17 0.12 -0.07 -4.11 0.00 0.00 178.44 175.56 2kfs h LEU 85 N 0.90 0.39 -0.82 0.17 3.38 -1.24 -2.66 115.31 115.42 2kfs h LEU 85 Ca 0.13 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2kfs h LEU 85 Cb 0.73 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 2kfs h LEU 85 CO 0.06 0.43 0.51 0.74 0.09 0.00 0.00 178.44 180.26 2kfs h THR 86 N 0.32 1.23 -0.14 0.22 2.02 -0.59 0.25 112.91 116.21 2kfs h THR 86 Ca 0.10 -0.48 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 2kfs h THR 86 Cb 0.15 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 66.62 2kfs h THR 86 CO -0.01 0.23 -0.01 -0.29 0.37 0.00 0.00 175.52 175.82 2kfs h ILE 87 N 1.12 1.26 -0.29 3.11 -0.00 -1.31 -2.46 117.51 118.96 2kfs h ILE 87 Ca 0.30 -0.87 -0.11 0.00 -0.00 0.00 0.00 64.86 64.18 2kfs h ILE 87 Cb -0.06 1.56 -0.01 0.00 -0.00 0.00 0.00 36.82 38.31 2kfs h ILE 87 CO -0.06 0.25 -0.28 -0.07 -0.00 0.00 0.00 178.15 177.99 2kfs h LEU 88 N -0.02 0.60 -0.76 2.19 -0.00 -1.29 -3.12 115.31 112.91 2kfs h LEU 88 Ca 0.04 -0.22 0.02 0.00 -0.00 0.00 0.00 57.88 57.71 2kfs h LEU 88 Cb 0.39 -0.16 -0.04 0.00 -0.00 0.00 0.00 40.66 40.85 2kfs h LEU 88 CO 0.01 0.86 0.49 -0.74 -0.00 0.00 0.00 178.44 179.06 2kfs h HIS 89 N 0.51 0.93 -0.02 1.13 2.76 -0.38 -0.66 115.15 119.41 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 0.75 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 29.39 2kfs h HIS 89 CO 0.03 0.56 -0.31 0.22 -1.30 0.00 0.00 177.93 177.13 2kfs h ASP 90 N 0.98 0.04 0.95 3.26 3.58 -1.42 -1.76 116.42 122.05 2kfs h ASP 90 Ca 0.29 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.73 2kfs h ASP 90 Cb -0.06 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 40.98 2kfs h ASP 90 CO -0.08 0.35 0.00 0.61 -2.88 0.00 0.00 179.24 177.24 2kfs n GLY 91 N -0.61 -1.47 1.77 -0.78 0.00 -0.36 -4.90 105.19 98.83 2kfs n GLY 91 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.50 3.75 -0.02 0.00 -0.58 -5.03 105.19 105.27 2kfs n GLY 92 Ca 0.08 -0.90 -0.39 0.00 0.00 0.00 0.00 46.02 44.82 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 3.62 0.83 1.61 2.02 -0.76 -5.03 117.35 117.64 2kfs s TYR 93 Ca 0.00 1.10 -0.12 0.00 -0.37 0.00 0.00 57.07 57.68 2kfs s TYR 93 Cb 0.00 -2.61 0.09 0.00 -0.40 0.00 0.00 41.96 39.05 2kfs s TYR 93 CO 0.00 0.27 1.17 -0.98 -1.57 0.00 0.00 175.55 174.44 2kfs s ARG 94 N 0.16 1.80 0.21 -0.62 1.70 -1.26 -4.54 118.95 116.40 2kfs s ARG 94 Ca 0.30 0.16 -0.09 0.00 -0.47 0.00 0.00 55.73 55.63 2kfs s ARG 94 Cb -0.17 -1.93 0.28 0.00 -0.57 0.00 0.00 34.95 32.56 2kfs s ARG 94 CO 0.15 -1.72 1.76 0.38 -1.08 0.00 0.00 175.30 174.79 2kfs h ASP 95 N -1.15 0.29 -0.69 -2.89 2.03 -1.96 -0.77 116.42 111.28 2kfs h ASP 95 Ca -0.47 0.07 -0.07 0.00 -0.73 0.00 0.00 57.03 55.83 2kfs h ASP 95 Cb 1.33 0.03 -0.03 0.00 -0.83 0.00 0.00 39.33 39.83 2kfs h ASP 95 CO 0.65 0.17 0.17 0.74 -1.03 0.00 0.00 179.24 179.95 2kfs h THR 96 N 0.46 1.26 -0.43 1.15 2.02 -1.91 -2.49 112.91 112.98 2kfs h THR 96 Ca 0.31 -0.96 -0.08 0.00 0.77 0.00 0.00 66.41 66.44 2kfs h THR 96 Cb 0.35 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 2kfs h THR 96 CO -0.28 0.37 -0.08 -0.33 0.37 0.00 0.00 175.52 175.57 2kfs h GLU 97 N 1.04 0.75 -0.09 6.66 4.39 -1.54 0.96 114.58 126.74 2kfs h GLU 97 Ca 0.22 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 2kfs h GLU 97 Cb 0.37 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2kfs h GLU 97 CO 0.00 0.81 0.05 0.82 -1.16 0.00 0.00 179.01 179.53 2kfs h ILE 98 N 0.68 1.08 0.00 3.13 1.08 -0.88 -1.92 117.51 120.68 2kfs h ILE 98 Ca 0.12 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 64.38 2kfs h ILE 98 Cb 0.53 1.05 0.00 0.00 -3.07 0.00 0.00 36.82 35.34 2kfs h ILE 98 CO 0.03 0.07 0.00 0.24 -0.69 0.00 0.00 178.15 177.80 2kfs h MET 99 N 0.06 0.00 0.47 2.37 2.86 -1.29 -2.89 114.93 116.52 2kfs h MET 99 Ca 0.03 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 2kfs h MET 99 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.73 2kfs h MET 99 CO -0.01 0.00 -0.24 -0.09 1.06 0.00 0.00 176.91 177.63 2kfs h ARG 100 N 0.00 -0.63 -0.11 1.72 2.43 0.03 0.09 114.38 117.90 2kfs h ARG 100 Ca 0.00 0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.11 2kfs h ARG 100 Cb 0.66 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.34 2kfs h ARG 100 CO 0.00 -0.42 -0.41 0.11 -1.51 0.00 0.00 179.97 177.74 2kfs h TRP 101 N -0.66 0.29 -0.93 2.20 5.08 -1.64 -2.12 115.95 118.17 2kfs h TRP 101 Ca -0.06 -0.08 0.04 0.00 1.08 0.00 0.00 58.89 59.86 2kfs h TRP 101 Cb 0.51 -0.07 -0.06 0.00 -3.00 0.00 0.00 29.16 26.55 2kfs h TRP 101 CO 0.08 0.63 0.60 -0.07 -1.28 0.00 0.00 178.44 178.40 2kfs h LEU 102 N 0.21 1.00 0.00 0.11 3.38 -1.40 -2.57 115.31 116.04 2kfs h LEU 102 Ca 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2kfs h LEU 102 Cb 0.82 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2kfs h LEU 102 CO 0.06 0.68 -0.72 0.49 0.09 0.00 0.00 178.44 179.05 2kfs n PHE 103 N -4.50 0.12 -3.01 1.13 3.01 0.01 -1.51 117.46 112.71 2kfs n PHE 103 Ca 0.12 0.03 -0.40 0.00 1.01 0.00 0.00 57.45 58.21 2kfs n PHE 103 Cb 0.10 -0.29 -0.05 0.00 -0.01 0.00 0.00 39.48 39.23 2kfs n PHE 103 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2kfs s THR 104 N -3.06 4.97 0.17 4.37 2.01 -0.81 -4.88 115.64 118.42 2kfs s THR 104 Ca 0.08 1.43 -0.34 0.00 0.31 0.00 0.00 61.69 63.18 2kfs s THR 104 Cb 0.16 -4.04 -0.14 0.00 0.01 0.00 0.00 72.50 68.49 2kfs s THR 104 CO 0.75 0.12 1.61 -2.65 -0.69 0.00 0.00 174.62 173.76 2kfs n PRO 105 N 4.76 2.26 -3.18 4.92 -0.02 -1.26 -4.26 135.00 138.22 2kfs n PRO 105 Ca 0.01 0.82 -0.40 0.00 -2.02 0.00 0.00 63.50 61.91 2kfs n PRO 105 Cb 0.50 -2.60 -0.06 0.00 -0.02 0.00 0.00 33.50 31.31 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 0.98 6.61 0.60 2.55 -1.08 0.62 -4.87 116.67 122.09 2kfs s ASP 106 Ca 0.78 0.74 0.32 0.00 -0.52 0.00 0.00 52.55 53.87 2kfs s ASP 106 Cb -0.65 -2.32 1.89 0.00 -1.46 0.00 0.00 42.92 40.39 2kfs s ASP 106 CO 0.37 -0.24 2.27 -0.65 0.52 0.00 0.00 175.17 177.44 2kfs h PRO 107 N 7.52 0.00 -0.24 4.34 0.11 -1.91 -1.68 132.00 140.14 2kfs h PRO 107 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2kfs h PRO 107 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2kfs h PRO 107 CO 0.75 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.98 2kfs n SER 108 N -3.74 3.06 -4.61 -2.05 7.64 -1.26 -4.58 113.62 108.08 2kfs n SER 108 Ca -0.03 -1.90 -0.36 0.00 1.01 0.00 0.00 58.87 57.58 2kfs n SER 108 Cb 0.09 -0.15 -0.10 0.00 -1.01 0.00 0.00 64.21 63.03 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 -1.45 3.94 -0.20 -3.43 2.96 -0.63 -4.99 118.68 114.87 2kfs s LEU 109 Ca 0.30 0.03 -0.02 0.00 -0.22 0.00 0.00 54.13 54.23 2kfs s LEU 109 Cb 0.19 -2.05 0.06 0.00 0.50 0.00 0.00 46.19 44.88 2kfs s LEU 109 CO 0.27 0.04 0.00 -0.89 -1.32 0.00 0.00 176.35 174.45 2kfs s THR 110 N 1.18 0.88 0.08 3.68 2.01 -1.26 -0.89 115.64 121.32 2kfs s THR 110 Ca 0.06 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.31 2kfs s THR 110 Cb -0.14 -1.29 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 2kfs s THR 110 CO 0.05 -0.15 -0.06 0.27 -0.69 0.00 0.00 174.62 174.04 2kfs s ILE 111 N 1.70 0.61 0.01 1.82 -4.36 -0.53 -4.87 121.20 115.58 2kfs s ILE 111 Ca -0.02 -1.74 -0.20 0.00 -0.26 0.00 0.00 60.65 58.43 2kfs s ILE 111 Cb -0.17 -1.44 -0.06 0.00 1.25 0.00 0.00 42.46 42.04 2kfs s ILE 111 CO -0.07 -0.78 0.57 0.28 0.24 0.00 0.00 174.94 175.17 2kfs s THR 112 N -3.18 4.88 0.37 8.37 -1.32 -1.26 0.50 115.64 124.00 2kfs s THR 112 Ca 0.07 1.20 0.07 0.00 -1.21 0.00 0.00 61.69 61.82 2kfs s THR 112 Cb 0.02 -3.91 -0.01 0.00 -1.51 0.00 0.00 72.50 67.10 2kfs s THR 112 CO -0.04 0.46 0.45 0.00 -2.21 0.00 0.00 174.62 173.27 2kfs s ARG 113 N -0.43 2.90 -1.14 7.08 1.70 -0.93 -4.97 118.95 123.15 2kfs s ARG 113 Ca 0.30 -1.19 -0.21 0.00 -0.47 0.00 0.00 55.73 54.16 2kfs s ARG 113 Cb -0.18 -2.68 0.04 0.00 -0.57 0.00 0.00 34.95 31.55 2kfs s ARG 113 CO 0.17 -0.04 1.66 0.34 -1.08 0.00 0.00 175.30 176.35 2kfs s ASP 114 N -4.18 6.37 0.00 -2.89 2.15 -1.26 -1.88 116.67 114.98 2kfs s ASP 114 Ca 0.47 -1.81 0.00 0.00 0.43 0.00 0.00 52.55 51.64 2kfs s ASP 114 Cb -0.08 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 2kfs s ASP 114 CO 0.30 -1.64 0.00 0.61 -0.17 0.00 0.00 175.17 174.27 2kfs n GLY 115 N 6.17 -0.35 2.94 2.66 0.00 -1.26 -5.02 105.19 110.34 2kfs n GLY 115 Ca 0.41 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.32 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 0.00 0.40 0.52 1.61 0.01 -0.79 -5.01 113.70 110.44 2kfs s SER 116 Ca 0.00 0.29 0.30 0.00 1.31 0.00 0.00 55.95 57.86 2kfs s SER 116 Cb 0.00 0.96 1.34 0.00 0.21 0.00 0.00 66.02 68.54 2kfs s SER 116 CO 0.00 -0.29 1.99 0.08 0.41 0.00 0.00 173.24 175.43 2kfs h ARG 117 N 8.22 0.00 -7.30 12.44 0.11 -1.97 -2.46 114.38 123.43 2kfs h ARG 117 Ca -0.18 0.00 -0.51 0.00 0.10 0.00 0.00 59.98 59.39 2kfs h ARG 117 Cb 1.14 0.00 0.13 0.00 1.11 0.00 0.00 29.97 32.35 2kfs h ARG 117 CO 0.24 0.10 0.33 0.16 0.10 0.00 0.00 179.97 180.89 2kfs s ASP 118 N -5.90 4.63 -0.22 0.08 -4.77 -1.26 -4.82 116.67 104.41 2kfs s ASP 118 Ca -0.01 1.84 -0.14 0.00 -3.30 0.00 0.00 52.55 50.95 2kfs s ASP 118 Cb 0.11 -2.52 -0.04 0.00 -1.09 0.00 0.00 42.92 39.37 2kfs s ASP 118 CO 0.57 -1.95 0.31 0.00 0.70 0.00 0.00 175.17 174.80 2kfs s ALA 119 N -2.82 3.58 -0.26 2.11 0.00 -1.26 -4.05 121.76 119.05 2kfs s ALA 119 Ca 0.62 -0.67 -0.14 0.00 0.00 0.00 0.00 51.96 51.77 2kfs s ALA 119 Cb -0.18 -2.53 -0.04 0.00 0.00 0.00 0.00 23.12 20.38 2kfs s ALA 119 CO 0.54 -0.28 0.33 0.08 0.00 0.00 0.00 175.76 176.42 2kfs s VAL 120 N 1.27 5.21 0.21 0.00 1.01 0.18 -4.84 120.40 123.44 2kfs s VAL 120 Ca 0.15 0.49 -0.12 0.00 0.00 0.00 0.00 61.98 62.50 2kfs s VAL 120 Cb -0.14 -3.66 -0.07 0.00 0.00 0.00 0.00 36.38 32.51 2kfs s VAL 120 CO 0.07 0.19 0.57 -0.55 0.00 0.00 0.00 175.10 175.38 2kfs s SER 121 N 1.57 6.70 -0.91 3.32 0.15 -1.26 -1.45 113.70 121.82 2kfs s SER 121 Ca 0.13 1.00 -0.03 0.00 0.70 0.00 0.00 55.95 57.75 2kfs s SER 121 Cb -0.16 -2.26 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 2kfs s SER 121 CO 0.10 -0.03 0.78 -3.20 1.20 0.00 0.00 173.24 172.08 2kfs n ASN 122 N 0.13 -3.64 -4.92 5.45 5.15 -0.07 -4.98 115.26 112.39 2kfs n ASN 122 Ca -0.01 -0.41 -0.26 0.00 -0.60 0.00 0.00 54.58 53.30 2kfs n ASN 122 Cb 0.52 -3.74 0.00 0.00 -0.53 0.00 0.00 39.78 36.03 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 -3.24 3.47 -0.15 5.20 0.00 -1.17 -4.41 121.76 121.46 2kfs s ALA 123 Ca 0.22 -0.63 -0.12 0.00 0.00 0.00 0.00 51.96 51.42 2kfs s ALA 123 Cb -0.10 -2.48 -0.05 0.00 0.00 0.00 0.00 23.12 20.50 2kfs s ALA 123 CO 0.52 -0.34 0.25 -0.98 0.00 0.00 0.00 175.76 175.20 2kfs s ARG 124 N -4.68 4.10 0.55 0.00 1.70 -1.26 -0.27 118.95 119.08 2kfs s ARG 124 Ca 0.47 0.02 0.33 0.00 -0.47 0.00 0.00 55.73 56.08 2kfs s ARG 124 Cb -0.10 -3.37 1.50 0.00 -0.57 0.00 0.00 34.95 32.40 2kfs s ARG 124 CO 0.43 0.37 1.85 -1.35 -1.08 0.00 0.00 175.30 175.52 2kfs h PRO 125 N 6.27 0.00 -0.66 3.89 0.11 -1.69 -0.72 132.00 139.20 2kfs h PRO 125 Ca -0.44 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 2kfs h PRO 125 Cb 1.17 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 2kfs h PRO 125 CO 0.72 0.00 0.36 0.28 -0.21 0.00 0.00 178.00 179.15 2kfs h VAL 126 N 0.00 1.21 -0.19 3.15 2.07 -1.60 -0.98 116.25 119.91 2kfs h VAL 126 Ca 0.45 -0.53 -0.10 0.00 0.82 0.00 0.00 66.70 67.34 2kfs h VAL 126 Cb 1.87 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 2kfs h VAL 126 CO -0.00 0.23 -0.30 -0.78 0.02 0.00 0.00 177.57 176.73 2kfs h ASP 127 N 0.90 0.38 0.02 0.57 1.82 -1.41 -1.46 116.42 117.24 2kfs h ASP 127 Ca 0.23 -0.14 -0.00 0.00 -0.39 0.00 0.00 57.03 56.73 2kfs h ASP 127 Cb 0.05 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 39.96 2kfs h ASP 127 CO -0.04 0.67 -0.01 0.00 -1.61 0.00 0.00 179.24 178.26 2kfs h ALA 128 N 1.36 -0.02 -0.28 -0.78 0.00 -1.18 -0.84 119.26 117.52 2kfs h ALA 128 Ca 0.04 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2kfs h ALA 128 Cb 0.70 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2kfs h ALA 128 CO 0.05 -0.44 -0.14 1.37 0.00 0.00 0.00 179.25 180.09 2kfs h LEU 129 N -0.16 0.46 -1.51 0.00 8.10 -0.84 0.35 115.31 121.71 2kfs h LEU 129 Ca -0.00 -0.12 -0.03 0.00 0.11 0.00 0.00 57.88 57.83 2kfs h LEU 129 Cb 0.15 -0.12 -0.00 0.00 -0.44 0.00 0.00 40.66 40.25 2kfs h LEU 129 CO 0.00 0.63 -0.16 -0.74 -4.11 0.00 0.00 178.44 174.07 2kfs h HIS 130 N 0.44 0.00 -0.49 0.17 2.76 -1.08 -1.19 115.15 115.76 2kfs h HIS 130 Ca 0.08 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 2kfs h HIS 130 Cb 0.51 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.47 2kfs h HIS 130 CO 0.02 0.16 0.00 0.00 -1.30 0.00 0.00 177.93 176.80 2kfs n ALA 131 N -2.22 2.42 -2.23 5.26 0.00 -0.30 -4.82 120.51 118.62 2kfs n ALA 131 Ca -0.01 -0.98 -0.14 0.00 0.00 0.00 0.00 53.44 52.31 2kfs n ALA 131 Cb 0.34 -0.95 -0.01 0.00 0.00 0.00 0.00 19.45 18.83 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 1.24 -0.65 -1.01 0.00 8.25 -0.45 -4.77 115.22 117.83 2kfs n HIS 132 Ca 0.20 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.65 2kfs n HIS 132 Cb 0.52 -3.03 0.34 0.00 1.12 0.00 0.00 29.99 28.94 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 -2.40 4.03 0.02 -0.41 1.13 0.11 -4.70 117.38 115.17 2kfs n GLN 133 Ca -0.17 -3.11 0.18 0.00 -1.94 0.00 0.00 57.00 51.96 2kfs n GLN 133 Cb 0.62 -2.20 0.67 0.00 0.11 0.00 0.00 30.24 29.44 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 3.01 2.42 -0.73 -1.58 0.00 -1.79 -2.38 119.26 118.22 2kfs h ALA 134 Ca 0.16 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.12 2kfs h ALA 134 Cb 2.15 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.91 2kfs h ALA 134 CO 0.62 -0.56 0.42 0.00 0.00 0.00 0.00 179.25 179.73 2kfs h ARG 135 N 0.02 0.75 0.00 0.00 3.08 -1.94 0.70 114.38 116.99 2kfs h ARG 135 Ca 0.23 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.15 2kfs h ARG 135 Cb 0.88 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 2kfs h ARG 135 CO -0.01 0.49 -0.41 0.93 -1.07 0.00 0.00 179.97 179.90 2kfs h GLU 136 N 0.77 0.00 -0.34 0.04 5.08 -1.83 -1.70 114.58 116.59 2kfs h GLU 136 Ca 0.33 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.57 2kfs h GLU 136 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2kfs h GLU 136 CO -0.18 0.41 -0.24 0.28 -1.00 0.00 0.00 179.01 178.28 2kfs h VAL 137 N 0.00 1.29 -0.81 3.13 2.07 -1.17 -1.78 116.25 118.98 2kfs h VAL 137 Ca -0.00 -1.39 0.01 0.00 0.82 0.00 0.00 66.70 66.13 2kfs h VAL 137 Cb 0.98 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 32.14 2kfs h VAL 137 CO 0.05 0.45 0.54 0.58 0.02 0.00 0.00 177.57 179.22 2kfs h VAL 138 N 0.55 1.21 -0.93 2.57 2.07 -0.58 0.19 116.25 121.33 2kfs h VAL 138 Ca 0.07 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 2kfs h VAL 138 Cb 0.80 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 2kfs h VAL 138 CO 0.07 0.20 0.56 -0.09 0.02 0.00 0.00 177.57 178.32 2kfs h ARG 139 N 1.11 1.26 -0.59 1.57 2.43 -1.08 0.21 114.38 119.29 2kfs h ARG 139 Ca 0.30 -0.12 -0.08 0.00 -0.81 0.00 0.00 59.98 59.28 2kfs h ARG 139 Cb -0.13 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.14 2kfs h ARG 139 CO -0.06 0.88 0.07 -0.09 -1.51 0.00 0.00 179.97 179.26 2kfs h ARG 140 N 1.28 1.00 -0.42 0.20 1.12 -0.65 -1.92 114.38 114.99 2kfs h ARG 140 Ca 0.33 -0.28 -0.01 0.00 -1.11 0.00 0.00 59.98 58.90 2kfs h ARG 140 Cb -0.05 -0.11 -0.02 0.00 -0.01 0.00 0.00 29.97 29.78 2kfs h ARG 140 CO -0.06 0.96 0.21 0.00 -3.11 0.00 0.00 179.97 177.97 2kfs h ALA 141 N 1.00 0.55 -0.73 2.80 0.00 -0.18 -2.17 119.26 120.53 2kfs h ALA 141 Ca 0.18 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.05 2kfs h ALA 141 Cb 0.46 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 2kfs h ALA 141 CO 0.02 0.10 0.48 1.96 0.00 0.00 0.00 179.25 181.81 2kfs h GLN 142 N 0.55 0.71 -0.30 0.00 4.20 -0.34 0.64 115.11 120.56 2kfs h GLN 142 Ca 0.15 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.74 2kfs h GLN 142 Cb 0.11 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 2kfs h GLN 142 CO -0.02 0.47 -0.11 0.00 -0.67 0.00 0.00 178.83 178.50 2kfs h ALA 143 N 1.61 1.26 0.12 3.87 0.00 -0.72 -1.14 119.26 124.25 2kfs h ALA 143 Ca 0.32 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 2kfs h ALA 143 Cb 0.30 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 17.97 2kfs h ALA 143 CO -0.11 0.49 -0.76 1.98 0.00 0.00 0.00 179.25 180.85 2kfs h MET 144 N 0.47 0.24 -0.19 0.00 1.85 -0.91 -3.38 114.93 113.01 2kfs h MET 144 Ca 0.09 -0.42 -0.13 0.00 -0.61 0.00 0.00 59.70 58.63 2kfs h MET 144 Cb 0.48 0.16 -0.01 0.00 0.43 0.00 0.00 31.60 32.65 2kfs h MET 144 CO 0.03 1.20 -0.43 0.00 -0.40 0.00 0.00 176.91 177.30 2kfs h ALA 145 N 0.05 0.90 -0.02 0.39 0.00 -0.85 -3.52 119.26 116.19 2kfs h ALA 145 Ca -0.14 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2kfs h ALA 145 Cb 1.55 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2kfs h ALA 145 CO 0.11 0.64 0.00 0.66 0.00 0.00 0.00 179.25 180.67