#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 -0.05 0.00 2.12 -0.04 -1.26 -5.03 135.00 130.74 2kfs n PRO 2 Ca 0.00 -2.26 0.00 0.00 -0.04 0.00 0.00 63.50 61.20 2kfs n PRO 2 Cb 0.00 -0.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 2kfs n PRO 2 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kfs n GLY 3 N -1.50 0.54 3.73 0.55 0.00 -1.26 -5.06 105.19 102.18 2kfs n GLY 3 Ca 0.14 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.85 4.50 0.02 1.61 3.00 -1.26 -5.04 118.95 119.93 2kfs s ARG 4 Ca 0.00 1.81 0.03 0.00 -1.00 0.00 0.00 55.73 56.57 2kfs s ARG 4 Cb 0.00 -3.28 -0.02 0.00 0.00 0.00 0.00 34.95 31.66 2kfs s ARG 4 CO 0.00 -0.10 -0.10 0.00 0.00 0.00 0.00 175.30 175.10 2kfs s ALA 5 N 0.21 0.83 0.74 6.12 0.00 -1.26 -5.16 121.76 123.24 2kfs s ALA 5 Ca 0.54 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.89 2kfs s ALA 5 Cb -0.31 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.68 2kfs s ALA 5 CO 0.34 0.15 0.00 -0.35 0.00 0.00 0.00 175.76 175.90 2kfs n PRO 6 N 2.22 0.68 0.00 0.00 -0.04 -1.26 -5.11 135.00 131.49 2kfs n PRO 6 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2kfs n PRO 6 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 2kfs n PRO 6 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kfs n GLY 7 N 5.00 2.50 3.54 0.55 0.00 -1.26 -5.07 105.19 110.45 2kfs n GLY 7 Ca 0.00 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 2kfs n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kfs s SER 8 N 2.00 6.22 0.50 1.61 0.01 -1.26 -4.99 113.70 117.79 2kfs s SER 8 Ca 0.00 -0.71 -0.13 0.00 1.31 0.00 0.00 55.95 56.43 2kfs s SER 8 Cb 0.00 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.63 2kfs s SER 8 CO 0.00 -1.72 0.92 -0.89 0.41 0.00 0.00 173.24 171.96 2kfs s THR 9 N 5.35 4.66 -0.05 1.44 2.01 -1.26 -4.97 115.64 122.83 2kfs s THR 9 Ca 0.35 0.91 -0.33 0.00 0.31 0.00 0.00 61.69 62.94 2kfs s THR 9 Cb -0.08 -3.76 -0.11 0.00 0.01 0.00 0.00 72.50 68.56 2kfs s THR 9 CO 0.10 -0.75 1.93 0.18 -0.69 0.00 0.00 174.62 175.39 2kfs n LEU 10 N -1.80 3.70 -4.74 4.42 7.99 -1.26 -4.90 117.00 120.41 2kfs n LEU 10 Ca 0.05 0.93 -0.41 0.00 -0.01 0.00 0.00 56.01 56.56 2kfs n LEU 10 Cb 0.54 -1.43 -0.03 0.00 -0.11 0.00 0.00 43.42 42.39 2kfs n LEU 10 CO 0.50 0.02 1.00 0.00 -1.51 0.00 0.00 177.39 177.40 2kfs s ALA 11 N 4.36 3.54 -0.97 -1.18 0.00 -1.26 -4.95 121.76 121.29 2kfs s ALA 11 Ca 0.92 1.15 -0.03 0.00 0.00 0.00 0.00 51.96 54.00 2kfs s ALA 11 Cb -0.59 -3.49 0.26 0.00 0.00 0.00 0.00 23.12 19.29 2kfs s ALA 11 CO 0.48 -0.57 1.00 0.54 0.00 0.00 0.00 175.76 177.21 2kfs n ARG 12 N 2.36 3.20 -0.00 0.00 5.12 -1.26 -4.32 116.66 121.75 2kfs n ARG 12 Ca 0.05 -4.50 -0.20 0.00 -1.93 0.00 0.00 57.85 51.27 2kfs n ARG 12 Cb 0.42 -2.45 -0.14 0.00 -1.16 0.00 0.00 32.46 29.13 2kfs n ARG 12 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2kfs n VAL 13 N 2.11 1.76 0.00 1.55 0.31 -0.48 -5.05 118.33 118.52 2kfs n VAL 13 Ca 0.24 -0.67 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 2kfs n VAL 13 Cb 0.37 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.65 2kfs n VAL 13 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kfs n GLY 14 N 1.97 1.79 2.67 2.92 0.00 -1.15 -4.73 105.19 108.66 2kfs n GLY 14 Ca -0.31 -1.03 -0.22 0.00 0.00 0.00 0.00 46.02 44.46 2kfs n GLY 14 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kfs s SER 15 N 0.00 2.32 -0.19 1.61 0.15 -1.26 -1.24 113.70 115.09 2kfs s SER 15 Ca 0.00 -1.04 -0.06 0.00 0.70 0.00 0.00 55.95 55.55 2kfs s SER 15 Cb 0.00 0.19 -0.03 0.00 -1.71 0.00 0.00 66.02 64.47 2kfs s SER 15 CO 0.00 -0.40 0.03 -0.63 1.20 0.00 0.00 173.24 173.44 2kfs s ILE 16 N 2.17 4.38 0.80 6.45 1.09 -1.26 -5.08 121.20 129.74 2kfs s ILE 16 Ca 0.10 -0.17 -0.12 0.00 -1.10 0.00 0.00 60.65 59.36 2kfs s ILE 16 Cb -0.15 -2.97 0.07 0.00 -1.06 0.00 0.00 42.46 38.35 2kfs s ILE 16 CO -0.31 0.45 1.10 -2.84 -0.10 0.00 0.00 174.94 173.24 2kfs s PRO 17 N 0.63 2.07 0.05 2.79 0.02 -1.26 -4.77 135.00 134.53 2kfs s PRO 17 Ca 0.01 0.58 -0.24 0.00 0.02 0.00 0.00 61.00 61.38 2kfs s PRO 17 Cb -0.14 -1.92 -0.06 0.00 0.02 0.00 0.00 34.50 32.41 2kfs s PRO 17 CO 0.02 -1.62 0.74 0.00 -0.33 0.00 0.00 177.00 175.81 2kfs s ALA 18 N -3.19 3.40 0.00 -1.55 0.00 -1.26 -4.50 121.76 114.66 2kfs s ALA 18 Ca 0.61 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.82 2kfs s ALA 18 Cb -0.14 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.03 2kfs s ALA 18 CO 0.54 0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.81 2kfs n GLY 19 N 2.32 0.20 2.87 0.00 0.00 -1.26 -4.63 105.19 104.67 2kfs n GLY 19 Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 2kfs n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kfs s ASP 20 N 0.16 0.72 0.30 1.61 2.15 -1.26 -4.19 116.67 116.17 2kfs s ASP 20 Ca 0.00 -0.09 -0.29 0.00 0.43 0.00 0.00 52.55 52.60 2kfs s ASP 20 Cb 0.00 -0.36 -0.10 0.00 -0.30 0.00 0.00 42.92 42.16 2kfs s ASP 20 CO 0.00 -0.07 1.25 -0.62 -0.17 0.00 0.00 175.17 175.56 2kfs s ASP 21 N 0.93 6.92 -0.02 -0.34 2.15 -0.88 -4.41 116.67 121.02 2kfs s ASP 21 Ca -0.11 2.55 0.15 0.00 0.43 0.00 0.00 52.55 55.56 2kfs s ASP 21 Cb -0.14 -2.64 -0.22 0.00 -0.30 0.00 0.00 42.92 39.62 2kfs s ASP 21 CO -0.00 -0.42 0.36 0.52 -0.17 0.00 0.00 175.17 175.46 2kfs n VAL 22 N 1.08 0.00 -2.47 1.11 0.31 -1.26 -5.00 118.33 112.10 2kfs n VAL 22 Ca 0.00 -0.31 -0.25 0.00 -0.01 0.00 0.00 64.34 63.77 2kfs n VAL 22 Cb 0.43 0.29 0.14 0.00 -0.91 0.00 0.00 33.84 33.78 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 -3.82 2.90 0.14 7.52 0.05 -1.26 -5.02 118.68 119.18 2kfs s LEU 23 Ca -0.04 -0.34 -0.01 0.00 0.05 0.00 0.00 54.13 53.80 2kfs s LEU 23 Cb 0.10 -1.85 -0.04 0.00 -2.05 0.00 0.00 46.19 42.34 2kfs s LEU 23 CO 0.61 -2.16 0.31 -1.81 -0.55 0.00 0.00 176.35 172.75 2kfs s ASP 24 N -4.82 6.39 0.63 1.48 1.01 -1.26 -4.98 116.67 115.11 2kfs s ASP 24 Ca 0.69 0.36 0.31 0.00 0.71 0.00 0.00 52.55 54.63 2kfs s ASP 24 Cb -0.04 -2.00 1.70 0.00 1.01 0.00 0.00 42.92 43.59 2kfs s ASP 24 CO 0.47 0.06 2.02 -0.65 0.21 0.00 0.00 175.17 177.28 2kfs h PRO 25 N 2.54 0.00 0.00 8.23 0.11 -2.02 -0.06 132.00 140.80 2kfs h PRO 25 Ca -0.47 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 2kfs h PRO 25 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2kfs h PRO 25 CO 0.72 0.00 -0.39 0.22 -0.21 0.00 0.00 178.00 178.33 2kfs h ASP 26 N 0.00 0.00 -3.63 -2.05 3.58 -2.05 -3.45 116.42 108.82 2kfs h ASP 26 Ca 0.07 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 57.01 2kfs h ASP 26 Cb 0.65 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.72 2kfs h ASP 26 CO -0.00 0.39 0.55 -1.61 -2.88 0.00 0.00 179.24 175.69 2kfs s GLU 27 N -3.31 4.52 0.30 0.28 0.41 -0.04 -4.97 118.70 115.88 2kfs s GLU 27 Ca 0.02 1.91 -0.29 0.00 -0.41 0.00 0.00 54.97 56.19 2kfs s GLU 27 Cb 0.09 -3.20 -0.11 0.00 -1.78 0.00 0.00 34.13 29.13 2kfs s GLU 27 CO 0.70 -0.01 1.48 -2.14 -0.49 0.00 0.00 175.26 174.80 2kfs s PRO 28 N -0.81 4.20 0.30 0.39 0.02 -1.26 -4.89 135.00 132.95 2kfs s PRO 28 Ca 0.50 2.43 0.03 0.00 0.02 0.00 0.00 61.00 63.98 2kfs s PRO 28 Cb -0.34 -3.05 -0.06 0.00 0.02 0.00 0.00 34.50 31.08 2kfs s PRO 28 CO 0.40 -0.48 0.07 0.95 -0.33 0.00 0.00 177.00 177.61 2kfs s THR 29 N -0.38 0.95 0.16 0.99 -4.23 -1.26 -1.53 115.64 110.34 2kfs s THR 29 Ca 0.58 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.14 2kfs s THR 29 Cb -0.44 -2.72 -0.05 0.00 1.34 0.00 0.00 72.50 70.63 2kfs s THR 29 CO 0.50 -0.01 -0.11 -0.31 -0.54 0.00 0.00 174.62 174.15 2kfs s TYR 30 N -3.47 1.38 0.17 3.99 2.02 0.15 -4.58 117.35 117.01 2kfs s TYR 30 Ca 0.37 -0.72 0.02 0.00 -0.37 0.00 0.00 57.07 56.37 2kfs s TYR 30 Cb 0.08 -0.69 -0.05 0.00 -0.40 0.00 0.00 41.96 40.91 2kfs s TYR 30 CO 0.15 0.15 -0.01 0.34 -1.57 0.00 0.00 175.55 174.60 2kfs s ASP 31 N -3.21 1.34 0.17 2.29 -1.08 -1.26 -0.56 116.67 114.35 2kfs s ASP 31 Ca 0.18 -1.16 -0.20 0.00 -0.52 0.00 0.00 52.55 50.86 2kfs s ASP 31 Cb 0.02 0.09 0.09 0.00 -1.46 0.00 0.00 42.92 41.66 2kfs s ASP 31 CO 0.02 -0.54 1.63 -0.07 0.52 0.00 0.00 175.17 176.73 2kfs h LEU 32 N 2.69 -0.74 -1.09 -1.34 3.38 -1.99 0.28 115.31 116.50 2kfs h LEU 32 Ca -0.37 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2kfs h LEU 32 Cb 1.20 0.38 -0.04 0.00 0.09 0.00 0.00 40.66 42.30 2kfs h LEU 32 CO 0.63 -0.25 0.49 1.55 0.09 0.00 0.00 178.44 180.95 2kfs h PRO 33 N -0.15 1.11 -0.15 1.13 0.13 -1.97 -0.84 132.00 131.26 2kfs h PRO 33 Ca 0.19 -0.10 -0.13 0.00 -0.87 0.00 0.00 66.00 65.09 2kfs h PRO 33 Cb 0.45 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.34 2kfs h PRO 33 CO -0.48 0.79 -0.47 -0.09 -0.23 0.00 0.00 178.00 177.52 2kfs h ARG 34 N 1.13 0.37 -0.39 0.86 9.65 -1.54 0.92 114.38 125.38 2kfs h ARG 34 Ca 0.29 -0.20 -0.10 0.00 -1.10 0.00 0.00 59.98 58.87 2kfs h ARG 34 Cb -0.04 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.54 2kfs h ARG 34 CO -0.05 0.77 -0.16 0.28 2.80 0.00 0.00 179.97 183.60 2kfs h VAL 35 N 0.30 1.28 -1.00 0.20 2.07 -0.08 0.24 116.25 119.26 2kfs h VAL 35 Ca 0.02 -1.29 0.03 0.00 0.82 0.00 0.00 66.70 66.28 2kfs h VAL 35 Cb 0.94 1.28 -0.06 0.00 -1.52 0.00 0.00 31.29 31.93 2kfs h VAL 35 CO 0.08 0.43 0.66 0.00 0.02 0.00 0.00 177.57 178.76 2kfs h ALA 36 N 0.82 1.31 -0.46 1.67 0.00 -0.87 0.96 119.26 122.69 2kfs h ALA 36 Ca 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2kfs h ALA 36 Cb 0.71 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2kfs h ALA 36 CO 0.05 0.59 0.25 1.49 0.00 0.00 0.00 179.25 181.63 2kfs h GLU 37 N 1.30 0.64 -0.15 0.00 4.57 -0.53 0.11 114.58 120.53 2kfs h GLU 37 Ca 0.39 -0.08 -0.06 0.00 -1.18 0.00 0.00 59.36 58.43 2kfs h GLU 37 Cb -0.05 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.42 2kfs h GLU 37 CO -0.11 0.51 -0.14 1.25 -1.18 0.00 0.00 179.01 179.34 2kfs h LEU 38 N 0.60 0.37 0.00 1.64 5.85 -0.03 -3.14 115.31 120.60 2kfs h LEU 38 Ca 0.16 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 58.41 2kfs h LEU 38 Cb 0.06 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.99 2kfs h LEU 38 CO -0.03 0.77 -0.13 -0.07 -0.34 0.00 0.00 178.44 178.65 2kfs h LEU 39 N -0.02 0.00 0.62 2.25 3.38 -0.83 -3.45 115.31 117.26 2kfs h LEU 39 Ca 0.02 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 2kfs h LEU 39 Cb 0.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2kfs h LEU 39 CO 0.03 0.01 -0.12 0.61 0.09 0.00 0.00 178.44 179.06 2kfs n GLY 40 N 1.17 0.27 3.41 0.83 0.00 0.32 -5.04 105.19 106.15 2kfs n GLY 40 Ca 0.04 -0.71 -0.21 0.00 0.00 0.00 0.00 46.02 45.14 2kfs n GLY 40 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kfs s VAL 41 N -2.24 1.70 0.71 1.61 -7.23 -0.76 -5.03 120.40 109.16 2kfs s VAL 41 Ca 0.00 -2.16 -0.13 0.00 -1.81 0.00 0.00 61.98 57.89 2kfs s VAL 41 Cb 0.00 -2.35 0.02 0.00 0.56 0.00 0.00 36.38 34.61 2kfs s VAL 41 CO 0.00 -0.37 1.09 -2.16 -0.31 0.00 0.00 175.10 173.35 2kfs s PRO 42 N -3.70 2.63 0.41 4.82 0.04 -1.26 -4.43 135.00 133.51 2kfs s PRO 42 Ca 0.28 1.22 0.10 0.00 0.04 0.00 0.00 61.00 62.64 2kfs s PRO 42 Cb 0.02 -1.94 0.91 0.00 0.04 0.00 0.00 34.50 33.54 2kfs s PRO 42 CO 0.11 -1.36 2.00 0.28 0.04 0.00 0.00 177.00 178.07 2kfs h VAL 43 N -0.54 0.99 -0.75 -0.36 2.07 -1.92 -0.82 116.25 114.93 2kfs h VAL 43 Ca -0.45 -0.18 0.05 0.00 0.82 0.00 0.00 66.70 66.94 2kfs h VAL 43 Cb 1.23 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 2kfs h VAL 43 CO 0.53 0.10 0.46 0.28 0.02 0.00 0.00 177.57 178.96 2kfs h SER 44 N 0.53 0.72 0.16 0.57 0.02 -1.97 0.64 113.55 114.22 2kfs h SER 44 Ca 0.24 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.08 2kfs h SER 44 Cb 0.27 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2kfs h SER 44 CO -0.07 0.48 -0.42 0.11 -1.14 0.00 0.00 176.83 175.80 2kfs h LYS 45 N 0.86 0.34 -0.44 3.45 1.57 -1.52 -0.99 116.57 119.84 2kfs h LYS 45 Ca 0.32 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2kfs h LYS 45 Cb 0.11 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2kfs h LYS 45 CO -0.15 0.70 0.22 0.28 -0.57 0.00 0.00 179.45 179.93 2kfs h VAL 46 N 0.28 1.18 -0.54 0.50 2.07 -0.92 -0.58 116.25 118.23 2kfs h VAL 46 Ca 0.02 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 2kfs h VAL 46 Cb 0.86 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 2kfs h VAL 46 CO 0.07 0.19 0.17 0.00 0.02 0.00 0.00 177.57 178.03 2kfs h ALA 47 N 1.06 1.30 -0.77 1.67 0.00 -0.60 -0.72 119.26 121.20 2kfs h ALA 47 Ca 0.15 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2kfs h ALA 47 Cb 0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2kfs h ALA 47 CO -0.02 0.51 0.28 1.96 0.00 0.00 0.00 179.25 181.98 2kfs h GLN 48 N 0.78 1.17 -0.57 0.00 4.20 -0.60 0.17 115.11 120.26 2kfs h GLN 48 Ca 0.18 -0.22 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 2kfs h GLN 48 Cb 0.22 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 2kfs h GLN 48 CO -0.01 0.96 0.17 1.96 -0.67 0.00 0.00 178.83 181.25 2kfs h GLN 49 N 1.13 0.89 -0.80 1.46 4.20 -0.28 0.58 115.11 122.28 2kfs h GLN 49 Ca 0.25 -0.19 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 2kfs h GLN 49 Cb 0.25 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.87 2kfs h GLN 49 CO -0.02 0.81 0.40 1.25 -0.67 0.00 0.00 178.83 180.60 2kfs h LEU 50 N 0.80 1.04 -1.55 1.46 5.85 -0.79 0.11 115.31 122.23 2kfs h LEU 50 Ca 0.18 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 2kfs h LEU 50 Cb 0.29 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 2kfs h LEU 50 CO -0.00 0.87 -0.10 0.03 -0.34 0.00 0.00 178.44 178.90 2kfs h ARG 51 N 1.13 0.00 0.00 1.25 2.47 0.01 -2.56 114.38 116.68 2kfs h ARG 51 Ca 0.28 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.00 2kfs h ARG 51 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 2kfs h ARG 51 CO -0.04 0.10 -0.84 0.39 0.56 0.00 0.00 179.97 180.14 2kfs n GLU 52 N -3.30 0.18 -1.48 0.04 1.02 0.13 -4.46 120.64 112.77 2kfs n GLU 52 Ca -0.00 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2kfs n GLU 52 Cb 0.32 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 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 1.42 0.71 0.09 0.62 0.00 -0.37 -1.38 105.19 106.26 2kfs n GLY 53 Ca 0.03 -0.71 -0.05 0.00 0.00 0.00 0.00 46.02 45.29 2kfs n GLY 53 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2kfs h HIS 54 N 0.00 0.00 -3.80 1.61 6.17 -1.06 -3.43 115.15 114.63 2kfs h HIS 54 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 60.37 60.98 2kfs h HIS 54 Cb 0.70 0.00 -0.15 0.00 2.52 0.00 0.00 27.41 30.48 2kfs h HIS 54 CO 0.00 0.84 -0.42 -1.17 0.71 0.00 0.00 177.93 177.89 2kfs s LEU 55 N -6.13 1.55 0.07 0.26 2.96 -1.22 -4.07 118.68 112.10 2kfs s LEU 55 Ca -0.03 -0.62 0.01 0.00 -0.22 0.00 0.00 54.13 53.27 2kfs s LEU 55 Cb 0.08 0.90 -0.04 0.00 0.50 0.00 0.00 46.19 47.64 2kfs s LEU 55 CO 0.81 -0.67 -0.05 0.54 -1.32 0.00 0.00 176.35 175.67 2kfs s VAL 56 N -3.52 0.45 0.12 1.68 0.11 -1.26 -4.31 120.40 113.67 2kfs s VAL 56 Ca 0.02 -1.67 0.01 0.00 -2.93 0.00 0.00 61.98 57.41 2kfs s VAL 56 Cb 0.04 -1.33 -0.04 0.00 -1.53 0.00 0.00 36.38 33.52 2kfs s VAL 56 CO -0.09 -0.81 -0.00 0.00 -3.33 0.00 0.00 175.10 170.87 2kfs s ALA 57 N -3.19 0.98 0.29 1.54 0.00 -1.26 -4.78 121.76 115.35 2kfs s ALA 57 Ca 0.04 -1.44 0.06 0.00 0.00 0.00 0.00 51.96 50.63 2kfs s ALA 57 Cb 0.02 0.50 -0.06 0.00 0.00 0.00 0.00 23.12 23.58 2kfs s ALA 57 CO -0.05 -0.36 -0.03 0.14 0.00 0.00 0.00 175.76 175.46 2kfs s VAL 58 N -3.80 1.57 -0.19 0.00 -7.23 0.40 -4.21 120.40 106.92 2kfs s VAL 58 Ca 0.18 -2.09 -0.04 0.00 -1.81 0.00 0.00 61.98 58.22 2kfs s VAL 58 Cb 0.07 -2.55 -0.02 0.00 0.56 0.00 0.00 36.38 34.44 2kfs s VAL 58 CO -0.01 -0.23 -0.03 -0.60 -0.31 0.00 0.00 175.10 173.92 2kfs s ARG 59 N -3.76 3.53 -0.15 4.82 6.06 -1.26 -0.60 118.95 127.59 2kfs s ARG 59 Ca 0.31 -0.57 -0.13 0.00 -2.50 0.00 0.00 55.73 52.84 2kfs s ARG 59 Cb 0.05 -2.98 0.04 0.00 0.06 0.00 0.00 34.95 32.12 2kfs s ARG 59 CO 0.13 0.01 0.41 -0.98 -2.50 0.00 0.00 175.30 172.36 2kfs s ARG 60 N 0.97 0.46 0.00 5.12 1.70 -0.51 -2.08 118.95 124.61 2kfs s ARG 60 Ca 0.00 0.60 0.00 0.00 -0.47 0.00 0.00 55.73 55.86 2kfs s ARG 60 Cb -0.15 0.19 0.00 0.00 -0.57 0.00 0.00 34.95 34.42 2kfs s ARG 60 CO 0.01 -0.07 0.00 0.00 -1.08 0.00 0.00 175.30 174.16 2kfs n ALA 61 N 3.09 0.00 0.00 7.88 0.00 -1.26 -1.07 120.51 129.15 2kfs n ALA 61 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2kfs n ALA 61 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 0.00 0.00 3.17 0.00 0.00 -1.26 -5.16 105.19 101.94 2kfs n GLY 62 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 0.33 -0.27 -0.02 0.00 -0.23 -5.12 107.32 102.00 2kfs s GLY 63 Ca 0.00 -0.92 -0.10 0.00 0.00 0.00 0.00 44.72 43.70 2kfs s GLY 63 CO 0.00 -1.04 0.15 0.14 0.00 0.00 0.00 173.10 172.36 2kfs s VAL 64 N -3.90 5.00 0.09 1.40 1.01 -1.26 -1.42 120.40 121.32 2kfs s VAL 64 Ca 0.08 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.13 2kfs s VAL 64 Cb 0.06 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 2kfs s VAL 64 CO -0.09 0.27 -0.07 0.68 0.00 0.00 0.00 175.10 175.89 2kfs s VAL 65 N 1.71 0.68 -0.14 2.92 -7.23 0.23 -4.38 120.40 114.19 2kfs s VAL 65 Ca 0.07 -1.82 0.01 0.00 -1.81 0.00 0.00 61.98 58.43 2kfs s VAL 65 Cb -0.16 -1.54 -0.00 0.00 0.56 0.00 0.00 36.38 35.24 2kfs s VAL 65 CO 0.09 -0.80 -0.17 -0.63 -0.31 0.00 0.00 175.10 173.27 2kfs s ILE 66 N -3.31 2.55 0.20 -0.62 1.09 0.27 -0.46 121.20 120.92 2kfs s ILE 66 Ca 0.09 -0.82 -0.33 0.00 -1.10 0.00 0.00 60.65 58.49 2kfs s ILE 66 Cb 0.03 -2.05 -0.14 0.00 -1.06 0.00 0.00 42.46 39.24 2kfs s ILE 66 CO -0.04 0.53 1.51 -2.65 -0.10 0.00 0.00 174.94 174.18 2kfs n PRO 67 N 3.88 2.13 0.28 2.79 -0.02 -1.26 0.31 135.00 143.10 2kfs n PRO 67 Ca -0.19 0.76 0.13 0.00 -2.02 0.00 0.00 63.50 62.18 2kfs n PRO 67 Cb 0.52 -2.48 0.79 0.00 -0.02 0.00 0.00 33.50 32.31 2kfs n PRO 67 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2kfs h GLN 68 N 5.13 0.00 0.00 -0.52 4.15 -1.52 -1.52 115.11 120.82 2kfs h GLN 68 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.97 2kfs h GLN 68 Cb 1.26 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.95 2kfs h GLN 68 CO 0.83 0.06 0.00 1.33 -1.93 0.00 0.00 178.83 179.12 2kfs n VAL 69 N -3.85 0.36 1.33 2.39 0.24 -1.26 -1.66 118.33 115.87 2kfs n VAL 69 Ca -0.02 0.09 0.14 0.00 -2.04 0.00 0.00 64.34 62.51 2kfs n VAL 69 Cb 0.16 -0.79 0.63 0.00 -1.47 0.00 0.00 33.84 32.37 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 -1.22 0.00 -4.41 6.34 3.01 -0.57 -4.84 117.46 115.76 2kfs n PHE 70 Ca 0.10 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.32 2kfs n PHE 70 Cb 0.12 -0.27 -0.09 0.00 -0.01 0.00 0.00 39.48 39.24 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 -2.62 2.44 0.53 1.38 0.08 -0.66 -3.37 117.98 115.76 2kfs s PHE 71 Ca 0.25 -0.32 0.01 0.00 0.12 0.00 0.00 56.93 56.99 2kfs s PHE 71 Cb 0.20 -1.13 0.02 0.00 -0.57 0.00 0.00 43.02 41.55 2kfs s PHE 71 CO 0.50 0.66 0.76 0.95 -0.10 0.00 0.00 175.22 177.98 2kfs s THR 72 N -2.47 3.00 -0.37 0.64 -4.23 0.28 -4.89 115.64 107.60 2kfs s THR 72 Ca 0.31 -0.59 0.25 0.00 -1.18 0.00 0.00 61.69 60.47 2kfs s THR 72 Cb -0.04 -3.13 0.26 0.00 1.34 0.00 0.00 72.50 70.93 2kfs s THR 72 CO 0.17 -0.09 1.75 0.78 -0.54 0.00 0.00 174.62 176.68 2kfs h ASN 73 N 0.12 0.00 0.92 3.99 4.21 -1.96 0.43 115.58 123.29 2kfs h ASN 73 Ca -0.43 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.08 2kfs h ASN 73 Cb 1.29 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.49 2kfs h ASN 73 CO 0.54 0.00 0.00 -1.20 -1.29 0.00 0.00 177.43 175.48 2kfs n SER 74 N -2.35 0.00 0.00 5.81 7.64 -1.26 -4.88 113.62 118.58 2kfs n SER 74 Ca 0.02 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.37 2kfs n SER 74 Cb 0.22 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 2kfs n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kfs n GLY 75 N 1.29 0.44 3.52 0.23 0.00 0.14 -5.03 105.19 105.79 2kfs n GLY 75 Ca 0.07 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 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 -3.01 2.10 0.26 1.61 0.74 -1.25 -4.14 119.66 115.96 2kfs s GLN 76 Ca 0.00 -1.00 -0.29 0.00 0.05 0.00 0.00 55.36 54.12 2kfs s GLN 76 Cb 0.00 -2.25 -0.09 0.00 1.10 0.00 0.00 33.01 31.77 2kfs s GLN 76 CO 0.00 0.53 1.23 0.08 -0.55 0.00 0.00 175.29 176.58 2kfs s VAL 77 N -1.06 3.19 0.15 1.34 1.01 -1.26 -0.55 120.40 123.22 2kfs s VAL 77 Ca 0.18 1.10 -0.31 0.00 0.00 0.00 0.00 61.98 62.94 2kfs s VAL 77 Cb -0.11 -3.70 -0.11 0.00 0.00 0.00 0.00 36.38 32.46 2kfs s VAL 77 CO 0.09 0.22 1.76 -0.69 0.00 0.00 0.00 175.10 176.49 2kfs s VAL 78 N -0.64 2.38 0.48 2.92 1.01 -1.22 -4.87 120.40 120.46 2kfs s VAL 78 Ca 0.50 0.09 0.19 0.00 0.00 0.00 0.00 61.98 62.76 2kfs s VAL 78 Cb -0.36 -3.06 0.36 0.00 0.00 0.00 0.00 36.38 33.33 2kfs s VAL 78 CO 0.43 0.00 1.98 0.07 0.00 0.00 0.00 175.10 177.58 2kfs h LYS 79 N 7.81 0.22 -0.00 2.72 2.10 -1.95 -0.55 116.57 126.91 2kfs h LYS 79 Ca -0.44 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 2kfs h LYS 79 Cb 1.21 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 2kfs h LYS 79 CO 0.95 0.14 -0.17 0.43 -2.00 0.00 0.00 179.45 178.81 2kfs n SER 80 N -4.44 0.44 0.01 7.07 7.64 -1.26 -4.18 113.62 118.91 2kfs n SER 80 Ca 0.10 -0.38 -0.13 0.00 1.01 0.00 0.00 58.87 59.48 2kfs n SER 80 Cb 0.50 -0.07 -0.09 0.00 -1.01 0.00 0.00 64.21 63.54 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 0.44 -0.01 -1.86 -3.43 6.46 -1.45 -2.79 115.31 112.66 2kfs h LEU 81 Ca 0.00 -0.31 0.10 0.00 -0.12 0.00 0.00 57.88 57.56 2kfs h LEU 81 Cb 0.41 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.32 2kfs h LEU 81 CO 0.00 0.30 0.32 -0.65 -0.62 0.00 0.00 178.44 177.79 2kfs h PRO 82 N -0.32 0.15 -0.62 5.25 0.11 -1.73 -2.02 132.00 132.83 2kfs h PRO 82 Ca -0.00 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 2kfs h PRO 82 Cb 0.31 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.36 2kfs h PRO 82 CO 0.00 0.10 0.31 0.78 -0.21 0.00 0.00 178.00 178.98 2kfs h GLY 83 N 0.16 0.94 1.13 -0.55 0.00 -1.73 0.16 103.07 103.17 2kfs h GLY 83 Ca 0.22 -0.46 -0.13 0.00 0.00 0.00 0.00 47.33 46.96 2kfs h GLY 83 CO -0.03 0.44 -0.18 0.17 0.00 0.00 0.00 176.54 176.93 2kfs h LEU 84 N 0.84 1.02 -1.09 3.11 8.10 -1.20 -2.60 115.31 123.49 2kfs h LEU 84 Ca 0.21 -0.37 -0.05 0.00 0.11 0.00 0.00 57.88 57.78 2kfs h LEU 84 Cb 0.10 -0.28 -0.02 0.00 -0.44 0.00 0.00 40.66 40.02 2kfs h LEU 84 CO -0.03 1.17 0.11 -0.07 -4.11 0.00 0.00 178.44 175.51 2kfs h LEU 85 N 0.87 0.70 0.00 0.17 3.38 -1.08 -2.06 115.31 117.30 2kfs h LEU 85 Ca 0.12 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kfs h LEU 85 Cb 0.76 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 2kfs h LEU 85 CO 0.06 0.70 -0.02 0.74 0.09 0.00 0.00 178.44 180.01 2kfs h THR 86 N 0.73 0.95 -0.28 0.22 2.02 -0.32 0.94 112.91 117.17 2kfs h THR 86 Ca 0.16 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.26 2kfs h THR 86 Cb 0.29 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 2kfs h THR 86 CO -0.00 0.00 -0.13 -0.29 0.37 0.00 0.00 175.52 175.47 2kfs h ILE 87 N -0.03 1.29 -0.34 3.11 -0.00 -1.30 -1.45 117.51 118.79 2kfs h ILE 87 Ca 0.01 -1.22 -0.10 0.00 -0.00 0.00 0.00 64.86 63.54 2kfs h ILE 87 Cb 0.04 1.49 -0.01 0.00 -0.00 0.00 0.00 36.82 38.34 2kfs h ILE 87 CO -0.02 0.39 -0.21 -0.07 -0.00 0.00 0.00 178.15 178.23 2kfs h LEU 88 N 0.33 0.67 -0.71 2.19 -0.00 -1.28 -1.80 115.31 114.70 2kfs h LEU 88 Ca 0.06 -0.23 -0.14 0.00 -0.00 0.00 0.00 57.88 57.58 2kfs h LEU 88 Cb 0.65 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 41.11 2kfs h LEU 88 CO 0.04 0.87 -0.51 -0.74 -0.00 0.00 0.00 178.44 178.10 2kfs h HIS 89 N 0.59 0.42 -0.13 1.13 2.76 -0.73 0.15 115.15 119.34 2kfs h HIS 89 Ca 0.09 -0.14 -0.05 0.00 -2.20 0.00 0.00 60.37 58.07 2kfs h HIS 89 Cb 0.68 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.55 2kfs h HIS 89 CO 0.03 0.78 -0.13 0.22 -1.30 0.00 0.00 177.93 177.54 2kfs h ASP 90 N 0.27 0.19 0.69 3.26 3.58 -0.97 -1.66 116.42 121.77 2kfs h ASP 90 Ca 0.01 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2kfs h ASP 90 Cb 0.99 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.00 2kfs h ASP 90 CO 0.08 0.34 -0.24 0.61 -2.88 0.00 0.00 179.24 177.15 2kfs n GLY 91 N -0.92 -1.31 1.60 -0.78 0.00 -0.70 -4.93 105.19 98.14 2kfs n GLY 91 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 0.71 3.83 -0.02 0.00 -0.45 -5.06 105.19 105.68 2kfs n GLY 92 Ca 0.07 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.30 3.54 0.72 1.61 1.51 -0.09 -5.01 117.35 117.33 2kfs s TYR 93 Ca 0.00 0.48 -0.04 0.00 -1.01 0.00 0.00 57.07 56.50 2kfs s TYR 93 Cb 0.00 -2.02 0.10 0.00 -0.11 0.00 0.00 41.96 39.93 2kfs s TYR 93 CO 0.00 0.60 1.00 -0.98 -1.11 0.00 0.00 175.55 175.06 2kfs s ARG 94 N -0.60 1.85 0.26 -0.62 1.70 -1.26 -4.41 118.95 115.87 2kfs s ARG 94 Ca 0.13 -0.70 -0.02 0.00 -0.47 0.00 0.00 55.73 54.67 2kfs s ARG 94 Cb -0.12 -2.25 0.50 0.00 -0.57 0.00 0.00 34.95 32.52 2kfs s ARG 94 CO 0.02 -1.38 1.77 0.38 -1.08 0.00 0.00 175.30 175.01 2kfs h ASP 95 N -0.59 0.55 -0.61 -2.89 2.03 -1.90 0.30 116.42 113.30 2kfs h ASP 95 Ca -0.41 0.08 -0.05 0.00 -0.73 0.00 0.00 57.03 55.92 2kfs h ASP 95 Cb 1.28 -0.01 -0.03 0.00 -0.83 0.00 0.00 39.33 39.75 2kfs h ASP 95 CO 0.48 0.25 0.18 0.74 -1.03 0.00 0.00 179.24 179.86 2kfs h THR 96 N 0.65 1.25 -0.43 1.15 2.02 -1.91 -1.91 112.91 113.74 2kfs h THR 96 Ca 0.45 -0.86 -0.10 0.00 0.77 0.00 0.00 66.41 66.67 2kfs h THR 96 Cb 0.59 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 2kfs h THR 96 CO -0.34 0.33 -0.12 -0.33 0.37 0.00 0.00 175.52 175.43 2kfs h GLU 97 N 0.89 0.78 -0.10 6.66 4.39 -1.35 -0.64 114.58 125.21 2kfs h GLU 97 Ca 0.20 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 2kfs h GLU 97 Cb 0.31 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2kfs h GLU 97 CO -0.00 0.87 0.05 0.82 -1.16 0.00 0.00 179.01 179.59 2kfs h ILE 98 N 0.70 1.07 0.00 3.13 1.08 -0.65 -2.03 117.51 120.82 2kfs h ILE 98 Ca 0.12 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 2kfs h ILE 98 Cb 0.61 1.03 0.00 0.00 -3.07 0.00 0.00 36.82 35.39 2kfs h ILE 98 CO 0.04 0.06 0.00 0.24 -0.69 0.00 0.00 178.15 177.80 2kfs h MET 99 N 0.08 0.00 0.51 2.37 2.86 -1.27 -3.13 114.93 116.35 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 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 2kfs h MET 99 CO -0.01 0.00 -0.36 -0.09 1.06 0.00 0.00 176.91 177.51 2kfs h ARG 100 N 0.00 -0.80 -0.12 1.72 2.43 -0.34 0.09 114.38 117.37 2kfs h ARG 100 Ca 0.00 0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.12 2kfs h ARG 100 Cb 0.74 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 2kfs h ARG 100 CO 0.00 -0.54 -0.41 0.11 -1.51 0.00 0.00 179.97 177.62 2kfs h TRP 101 N -0.83 0.30 -0.55 2.20 5.08 -1.66 -3.18 115.95 117.32 2kfs h TRP 101 Ca -0.07 -0.08 -0.08 0.00 1.08 0.00 0.00 58.89 59.74 2kfs h TRP 101 Cb 0.69 -0.07 -0.02 0.00 -3.00 0.00 0.00 29.16 26.75 2kfs h TRP 101 CO -0.10 0.64 0.04 1.25 -1.28 0.00 0.00 178.44 178.98 2kfs h LEU 102 N 0.22 0.87 -0.97 0.11 5.85 -1.44 -2.64 115.31 117.31 2kfs h LEU 102 Ca 0.02 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2kfs h LEU 102 Cb 0.83 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.63 2kfs h LEU 102 CO 0.07 0.91 -0.18 0.49 -0.34 0.00 0.00 178.44 179.39 2kfs n PHE 103 N -4.21 0.00 -2.89 1.25 3.01 -0.00 -3.12 117.46 111.50 2kfs n PHE 103 Ca 0.03 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.07 2kfs n PHE 103 Cb 0.30 -0.04 -0.05 0.00 -0.01 0.00 0.00 39.48 39.68 2kfs n PHE 103 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2kfs s THR 104 N -2.26 4.64 0.35 4.37 2.01 -1.00 -4.85 115.64 118.91 2kfs s THR 104 Ca 0.28 0.94 -0.28 0.00 0.31 0.00 0.00 61.69 62.94 2kfs s THR 104 Cb 0.20 -4.29 -0.10 0.00 0.01 0.00 0.00 72.50 68.32 2kfs s THR 104 CO 0.44 -0.54 1.26 -2.16 -0.69 0.00 0.00 174.62 172.93 2kfs s PRO 105 N 3.33 4.27 -0.16 4.92 0.04 -1.26 -4.38 135.00 141.76 2kfs s PRO 105 Ca 0.34 2.10 -0.02 0.00 0.04 0.00 0.00 61.00 63.47 2kfs s PRO 105 Cb -0.12 -2.97 -0.01 0.00 0.04 0.00 0.00 34.50 31.44 2kfs s PRO 105 CO 0.19 -0.22 -0.09 0.34 0.04 0.00 0.00 177.00 177.26 2kfs s ASP 106 N -0.67 4.24 0.55 6.66 -1.08 -0.67 -4.88 116.67 120.81 2kfs s ASP 106 Ca 0.51 -0.31 0.23 0.00 -0.52 0.00 0.00 52.55 52.46 2kfs s ASP 106 Cb -0.37 -1.68 1.48 0.00 -1.46 0.00 0.00 42.92 40.88 2kfs s ASP 106 CO 0.49 0.11 2.14 -0.65 0.52 0.00 0.00 175.17 177.78 2kfs h PRO 107 N 7.13 0.00 -0.44 4.34 0.11 -1.91 -0.52 132.00 140.71 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 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2kfs h PRO 107 CO 0.59 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.81 2kfs n SER 108 N -4.24 3.00 -4.31 -2.05 7.64 -1.26 -4.41 113.62 107.99 2kfs n SER 108 Ca -0.00 -1.95 -0.34 0.00 1.01 0.00 0.00 58.87 57.59 2kfs n SER 108 Cb 0.22 -0.29 -0.14 0.00 -1.01 0.00 0.00 64.21 62.98 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 -1.28 2.72 -0.17 -3.43 2.96 -0.21 -5.03 118.68 114.24 2kfs s LEU 109 Ca 0.38 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.90 2kfs s LEU 109 Cb 0.21 -1.65 0.02 0.00 0.50 0.00 0.00 46.19 45.26 2kfs s LEU 109 CO 0.29 0.05 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.28 2kfs s THR 110 N 1.02 2.03 0.07 3.68 2.01 -1.26 -1.17 115.64 122.02 2kfs s THR 110 Ca -0.01 -0.93 0.07 0.00 0.31 0.00 0.00 61.69 61.13 2kfs s THR 110 Cb -0.15 -1.83 -0.03 0.00 0.01 0.00 0.00 72.50 70.50 2kfs s THR 110 CO -0.01 0.54 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.65 2kfs s ILE 111 N 1.25 1.43 0.10 1.82 1.01 0.41 -4.90 121.20 122.32 2kfs s ILE 111 Ca 0.04 -1.34 0.10 0.00 0.00 0.00 0.00 60.65 59.45 2kfs s ILE 111 Cb -0.13 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 2kfs s ILE 111 CO -0.12 -0.06 -0.24 0.28 0.00 0.00 0.00 174.94 174.80 2kfs s THR 112 N -1.09 2.43 0.27 2.92 -1.32 -1.26 0.60 115.64 118.19 2kfs s THR 112 Ca 0.03 -1.57 -0.01 0.00 -1.21 0.00 0.00 61.69 58.94 2kfs s THR 112 Cb -0.09 -2.06 -0.02 0.00 -1.51 0.00 0.00 72.50 68.82 2kfs s THR 112 CO 0.03 0.17 0.30 0.00 -2.21 0.00 0.00 174.62 172.91 2kfs s ARG 113 N -1.86 1.56 0.12 7.08 1.70 -1.26 -4.88 118.95 121.42 2kfs s ARG 113 Ca 0.15 -1.71 -0.33 0.00 -0.47 0.00 0.00 55.73 53.37 2kfs s ARG 113 Cb -0.10 0.35 -0.12 0.00 -0.57 0.00 0.00 34.95 34.51 2kfs s ARG 113 CO 0.06 -0.59 1.75 -3.47 -1.08 0.00 0.00 175.30 171.97 2kfs n ASP 114 N -0.90 3.69 0.00 -2.89 2.03 -1.26 -0.94 116.55 116.29 2kfs n ASP 114 Ca 0.03 1.03 0.00 0.00 0.52 0.00 0.00 54.79 56.36 2kfs n ASP 114 Cb 0.63 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.54 2kfs n ASP 114 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kfs n GLY 115 N 3.97 0.44 3.07 0.27 0.00 -1.26 -5.04 105.19 106.64 2kfs n GLY 115 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.76 3.50 0.03 1.61 0.01 -0.12 -4.93 113.70 111.04 2kfs s SER 116 Ca 0.00 -0.89 -0.17 0.00 1.31 0.00 0.00 55.95 56.21 2kfs s SER 116 Cb 0.00 -1.42 -0.33 0.00 0.21 0.00 0.00 66.02 64.49 2kfs s SER 116 CO 0.00 -0.09 1.02 0.03 0.41 0.00 0.00 173.24 174.61 2kfs h ARG 117 N 7.91 0.54 0.00 12.44 -0.00 -1.96 -3.40 114.38 129.91 2kfs h ARG 117 Ca -0.34 -0.84 -0.30 0.00 -0.50 0.00 0.00 59.98 58.00 2kfs h ARG 117 Cb 1.10 0.30 0.13 0.00 0.00 0.00 0.00 29.97 31.51 2kfs h ARG 117 CO 0.54 1.39 0.23 -0.25 0.00 0.00 0.00 179.97 181.88 2kfs n ASP 118 N -3.81 -0.61 -4.65 7.04 9.92 -1.26 -5.06 116.55 118.12 2kfs n ASP 118 Ca -0.15 -1.22 -0.31 0.00 -0.53 0.00 0.00 54.79 52.58 2kfs n ASP 118 Cb 1.02 -0.74 -0.09 0.00 -0.64 0.00 0.00 41.12 40.67 2kfs n ASP 118 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kfs s ALA 119 N -3.62 3.17 -0.30 2.24 0.00 -1.26 -4.66 121.76 117.33 2kfs s ALA 119 Ca 0.54 -1.10 -0.12 0.00 0.00 0.00 0.00 51.96 51.28 2kfs s ALA 119 Cb -0.03 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 2kfs s ALA 119 CO 0.39 0.67 0.21 0.08 0.00 0.00 0.00 175.76 177.10 2kfs s VAL 120 N -1.21 5.29 0.44 0.00 1.01 0.20 -4.93 120.40 121.20 2kfs s VAL 120 Ca 0.23 0.02 -0.14 0.00 0.00 0.00 0.00 61.98 62.09 2kfs s VAL 120 Cb -0.11 -3.59 -0.07 0.00 0.00 0.00 0.00 36.38 32.60 2kfs s VAL 120 CO 0.14 0.15 0.86 -0.44 0.00 0.00 0.00 175.10 175.81 2kfs s SER 121 N 1.74 6.60 -1.06 3.32 0.01 -1.26 -0.45 113.70 122.61 2kfs s SER 121 Ca 0.07 1.34 -0.18 0.00 1.31 0.00 0.00 55.95 58.48 2kfs s SER 121 Cb -0.17 -2.41 0.01 0.00 0.21 0.00 0.00 66.02 63.66 2kfs s SER 121 CO 0.11 -0.45 0.72 -0.46 0.41 0.00 0.00 173.24 173.57 2kfs n ASN 122 N -1.29 -5.20 -4.94 2.44 2.04 -0.32 -4.92 115.26 103.07 2kfs n ASN 122 Ca 0.04 -0.99 -0.20 0.00 -0.44 0.00 0.00 54.58 52.99 2kfs n ASN 122 Cb 0.54 -2.81 -0.00 0.00 -2.53 0.00 0.00 39.78 34.98 2kfs n ASN 122 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2kfs s ALA 123 N -3.34 4.33 0.10 -2.53 0.00 -1.21 -4.56 121.76 114.55 2kfs s ALA 123 Ca 0.34 -1.79 0.03 0.00 0.00 0.00 0.00 51.96 50.54 2kfs s ALA 123 Cb -0.15 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 2kfs s ALA 123 CO 0.89 -0.37 0.14 -0.98 0.00 0.00 0.00 175.76 175.43 2kfs s ARG 124 N -4.29 3.05 0.64 0.00 1.70 -1.26 -1.68 118.95 117.11 2kfs s ARG 124 Ca 0.50 -0.67 0.26 0.00 -0.47 0.00 0.00 55.73 55.36 2kfs s ARG 124 Cb -0.05 -2.80 1.37 0.00 -0.57 0.00 0.00 34.95 32.90 2kfs s ARG 124 CO 0.30 0.55 1.78 -1.35 -1.08 0.00 0.00 175.30 175.50 2kfs h PRO 125 N 2.97 0.00 -0.84 3.89 0.11 -1.75 0.70 132.00 137.08 2kfs h PRO 125 Ca -0.47 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.65 2kfs h PRO 125 Cb 1.17 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 2kfs h PRO 125 CO 0.68 0.00 0.56 0.28 -0.21 0.00 0.00 178.00 179.30 2kfs h VAL 126 N 0.00 1.22 -0.87 3.15 2.07 -1.92 0.46 116.25 120.36 2kfs h VAL 126 Ca 0.09 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 2kfs h VAL 126 Cb 1.08 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 2kfs h VAL 126 CO -0.00 0.21 0.44 0.44 0.02 0.00 0.00 177.57 178.68 2kfs h ASP 127 N 1.14 1.12 -0.19 0.57 3.32 -1.19 -0.28 116.42 120.91 2kfs h ASP 127 Ca 0.31 -0.12 -0.07 0.00 0.02 0.00 0.00 57.03 57.17 2kfs h ASP 127 Cb -0.13 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.13 2kfs h ASP 127 CO -0.07 0.92 -0.16 0.00 -1.72 0.00 0.00 179.24 178.22 2kfs h ALA 128 N 1.24 0.27 -0.59 3.45 0.00 -1.48 -2.80 119.26 119.35 2kfs h ALA 128 Ca 0.30 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2kfs h ALA 128 Cb 0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2kfs h ALA 128 CO -0.04 0.16 0.39 1.25 0.00 0.00 0.00 179.25 181.01 2kfs h LEU 129 N 0.11 0.66 -1.29 0.00 5.85 -0.40 0.34 115.31 120.59 2kfs h LEU 129 Ca 0.03 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 2kfs h LEU 129 Cb 0.68 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2kfs h LEU 129 CO 0.04 0.48 -0.18 -0.74 -0.34 0.00 0.00 178.44 177.69 2kfs h HIS 130 N 0.79 0.00 -0.71 1.25 2.76 -1.08 -2.65 115.15 115.50 2kfs h HIS 130 Ca 0.22 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 2kfs h HIS 130 Cb -0.07 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.89 2kfs h HIS 130 CO -0.04 0.18 0.00 0.00 -1.30 0.00 0.00 177.93 176.78 2kfs n ALA 131 N -2.22 2.51 -2.08 5.26 0.00 -0.71 -4.92 120.51 118.35 2kfs n ALA 131 Ca -0.00 -1.36 -0.15 0.00 0.00 0.00 0.00 53.44 51.93 2kfs n ALA 131 Cb 0.38 -0.93 -0.02 0.00 0.00 0.00 0.00 19.45 18.88 2kfs n ALA 131 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2kfs n HIS 132 N 1.53 -0.54 -1.10 0.00 -0.00 -0.84 -4.85 115.22 109.42 2kfs n HIS 132 Ca 0.25 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 58.37 2kfs n HIS 132 Cb 0.67 -3.01 0.28 0.00 -0.12 0.00 0.00 29.99 27.82 2kfs n HIS 132 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 2kfs n GLN 133 N -2.47 3.35 0.00 1.57 6.02 0.11 -4.72 117.38 121.25 2kfs n GLN 133 Ca -0.17 -3.07 0.23 0.00 -0.01 0.00 0.00 57.00 53.97 2kfs n GLN 133 Cb 0.60 -2.14 0.72 0.00 1.02 0.00 0.00 30.24 30.45 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 2.29 2.37 -0.64 -1.58 0.00 -1.80 -3.02 119.26 116.87 2kfs h ALA 134 Ca 0.26 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.24 2kfs h ALA 134 Cb 2.22 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 20.01 2kfs h ALA 134 CO 0.68 -0.80 0.43 0.00 0.00 0.00 0.00 179.25 179.55 2kfs h ARG 135 N 0.00 0.48 -0.26 0.00 3.08 -1.92 0.28 114.38 116.04 2kfs h ARG 135 Ca 0.27 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.19 2kfs h ARG 135 Cb 1.29 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 2kfs h ARG 135 CO -0.00 0.32 -0.25 0.93 -1.07 0.00 0.00 179.97 179.89 2kfs h GLU 136 N 0.50 0.50 -0.06 0.04 4.39 -1.95 0.11 114.58 118.10 2kfs h GLU 136 Ca 0.29 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 2kfs h GLU 136 Cb 0.49 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2kfs h GLU 136 CO -0.09 0.71 -0.06 0.28 -1.16 0.00 0.00 179.01 178.70 2kfs h VAL 137 N 0.44 1.37 -0.51 3.13 2.07 -1.07 -0.17 116.25 121.51 2kfs h VAL 137 Ca 0.06 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.37 2kfs h VAL 137 Cb 0.68 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 2kfs h VAL 137 CO 0.05 0.33 0.22 0.58 0.02 0.00 0.00 177.57 178.77 2kfs h VAL 138 N -0.28 1.20 -0.36 2.57 2.07 -0.47 0.95 116.25 121.92 2kfs h VAL 138 Ca 0.01 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 66.96 2kfs h VAL 138 Cb 0.56 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 2kfs h VAL 138 CO 0.01 0.23 0.16 -0.09 0.02 0.00 0.00 177.57 177.91 2kfs h ARG 139 N 0.67 0.33 -0.23 1.57 2.43 -0.71 0.23 114.38 118.67 2kfs h ARG 139 Ca 0.17 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.25 2kfs h ARG 139 Cb 0.15 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2kfs h ARG 139 CO -0.02 0.22 -0.18 0.00 -1.51 0.00 0.00 179.97 178.49 2kfs h ARG 140 N 0.34 0.41 -0.22 0.20 3.08 -0.64 0.25 114.38 117.79 2kfs h ARG 140 Ca 0.16 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 2kfs h ARG 140 Cb 0.09 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2kfs h ARG 140 CO -0.13 0.57 0.04 0.00 -1.07 0.00 0.00 179.97 179.38 2kfs h ALA 141 N 1.45 0.30 -0.17 0.04 0.00 -0.05 -0.59 119.26 120.23 2kfs h ALA 141 Ca 0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2kfs h ALA 141 Cb 0.53 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2kfs h ALA 141 CO 0.03 -0.03 0.08 1.96 0.00 0.00 0.00 179.25 181.30 2kfs h GLN 142 N 0.17 0.25 0.00 0.00 4.20 -0.15 -2.29 115.11 117.29 2kfs h GLN 142 Ca 0.07 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2kfs h GLN 142 Cb 0.32 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.06 2kfs h GLN 142 CO 0.00 0.29 0.00 0.00 -0.67 0.00 0.00 178.83 178.45 2kfs h ALA 143 N 0.95 1.00 0.10 3.87 0.00 -0.44 0.15 119.26 124.89 2kfs h ALA 143 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 2kfs h ALA 143 Cb 0.12 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.93 2kfs h ALA 143 CO -0.01 0.00 -0.61 1.98 0.00 0.00 0.00 179.25 180.61 2kfs h MET 144 N 0.00 0.23 0.14 0.00 1.85 -0.70 -3.38 114.93 113.06 2kfs h MET 144 Ca 0.00 -0.39 -0.21 0.00 -0.61 0.00 0.00 59.70 58.49 2kfs h MET 144 Cb 0.38 0.14 0.02 0.00 0.43 0.00 0.00 31.60 32.56 2kfs h MET 144 CO 0.00 1.18 -1.00 0.00 -0.40 0.00 0.00 176.91 176.69 2kfs h ALA 145 N 0.07 -0.02 0.00 0.39 0.00 -1.10 -3.51 119.26 115.09 2kfs h ALA 145 Ca -0.11 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 53.99 2kfs h ALA 145 Cb 1.48 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.48 2kfs h ALA 145 CO 0.12 0.51 0.00 0.66 0.00 0.00 0.00 179.25 180.53