#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 4.31 -0.29 0.03 0.02 -1.26 -4.98 135.00 132.83 2kfs s PRO 2 Ca 0.00 1.54 -0.15 0.00 0.02 0.00 0.00 61.00 62.41 2kfs s PRO 2 Cb 0.00 -3.63 0.14 0.00 0.02 0.00 0.00 34.50 31.03 2kfs s PRO 2 CO 0.00 -0.53 0.90 0.20 -0.33 0.00 0.00 177.00 177.24 2kfs s GLY 3 N 1.48 -0.23 0.26 0.52 0.00 -1.26 -5.14 107.32 102.96 2kfs s GLY 3 Ca 0.51 2.92 -0.29 0.00 0.00 0.00 0.00 44.72 47.86 2kfs s GLY 3 CO 0.16 2.79 1.12 1.09 0.00 0.00 0.00 173.10 178.25 2kfs s ARG 4 N 1.85 4.61 -0.21 2.90 1.70 -1.26 -4.99 118.95 123.54 2kfs s ARG 4 Ca -0.07 1.82 -0.26 0.00 -0.47 0.00 0.00 55.73 56.74 2kfs s ARG 4 Cb -0.05 -3.20 -0.00 0.00 -0.57 0.00 0.00 34.95 31.13 2kfs s ARG 4 CO -0.17 0.16 0.91 0.00 -1.08 0.00 0.00 175.30 175.12 2kfs s ALA 5 N -0.97 3.62 -0.08 7.88 0.00 -1.26 -4.99 121.76 125.96 2kfs s ALA 5 Ca 0.46 0.04 -0.30 0.00 0.00 0.00 0.00 51.96 52.16 2kfs s ALA 5 Cb -0.32 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.38 2kfs s ALA 5 CO 0.41 -0.89 1.63 -1.25 0.00 0.00 0.00 175.76 175.66 2kfs s PRO 6 N 2.77 4.13 0.04 0.00 0.04 -1.26 -4.89 135.00 135.83 2kfs s PRO 6 Ca 0.39 2.10 -0.18 0.00 0.04 0.00 0.00 61.00 63.36 2kfs s PRO 6 Cb -0.16 -3.98 -0.18 0.00 0.04 0.00 0.00 34.50 30.22 2kfs s PRO 6 CO 0.09 -0.90 1.22 0.78 0.04 0.00 0.00 177.00 178.23 2kfs h GLY 7 N 10.40 0.57 -7.48 0.56 0.00 -2.06 -3.40 103.07 101.67 2kfs h GLY 7 Ca -0.38 -0.82 -0.50 0.00 0.00 0.00 0.00 47.33 45.63 2kfs h GLY 7 CO 0.96 0.73 1.35 -0.56 0.00 0.00 0.00 176.54 179.02 2kfs s SER 8 N -6.69 5.28 -0.03 0.19 0.01 -1.26 -4.94 113.70 106.26 2kfs s SER 8 Ca -0.13 0.31 0.07 0.00 1.31 0.00 0.00 55.95 57.52 2kfs s SER 8 Cb 0.05 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.74 2kfs s SER 8 CO 0.83 -2.37 -0.25 -0.89 0.41 0.00 0.00 173.24 170.97 2kfs s THR 9 N 9.04 1.95 0.35 1.44 2.01 -1.26 -5.12 115.64 124.05 2kfs s THR 9 Ca 0.67 -1.05 -0.25 0.00 0.31 0.00 0.00 61.69 61.37 2kfs s THR 9 Cb -0.12 -1.63 -0.10 0.00 0.01 0.00 0.00 72.50 70.66 2kfs s THR 9 CO 0.20 0.55 0.95 -0.76 -0.69 0.00 0.00 174.62 174.87 2kfs s LEU 10 N -0.47 4.22 0.27 4.42 1.43 -1.26 -5.03 118.68 122.26 2kfs s LEU 10 Ca 0.06 1.80 -0.19 0.00 -1.03 0.00 0.00 54.13 54.78 2kfs s LEU 10 Cb -0.10 -4.17 -0.09 0.00 0.03 0.00 0.00 46.19 41.86 2kfs s LEU 10 CO 0.00 -0.16 0.75 0.00 0.23 0.00 0.00 176.35 177.17 2kfs s ALA 11 N -1.77 3.36 -0.33 4.21 0.00 -1.26 -5.04 121.76 120.93 2kfs s ALA 11 Ca 0.54 0.15 -0.03 0.00 0.00 0.00 0.00 51.96 52.62 2kfs s ALA 11 Cb -0.16 -2.83 0.06 0.00 0.00 0.00 0.00 23.12 20.19 2kfs s ALA 11 CO 0.21 0.31 0.07 1.03 0.00 0.00 0.00 175.76 177.38 2kfs s ARG 12 N -2.34 2.39 -0.22 0.00 3.00 -1.26 -5.04 118.95 115.48 2kfs s ARG 12 Ca 0.48 -1.36 -0.01 0.00 0.00 0.00 0.00 55.73 54.83 2kfs s ARG 12 Cb -0.14 -3.33 0.06 0.00 0.00 0.00 0.00 34.95 31.54 2kfs s ARG 12 CO 0.20 -0.73 0.01 0.14 0.00 0.00 0.00 175.30 174.92 2kfs s VAL 13 N 1.27 0.94 -0.30 3.52 -7.23 -1.25 -4.60 120.40 112.76 2kfs s VAL 13 Ca -0.02 -0.88 -0.00 0.00 -1.81 0.00 0.00 61.98 59.27 2kfs s VAL 13 Cb -0.20 -1.38 0.14 0.00 0.56 0.00 0.00 36.38 35.50 2kfs s VAL 13 CO -0.01 -0.20 0.30 -0.83 -0.31 0.00 0.00 175.10 174.05 2kfs s GLY 14 N 1.66 -0.14 -0.79 2.32 0.00 -0.50 -4.90 107.32 104.97 2kfs s GLY 14 Ca -0.02 -0.36 -0.25 0.00 0.00 0.00 0.00 44.72 44.09 2kfs s GLY 14 CO -0.08 2.66 1.75 -1.35 0.00 0.00 0.00 173.10 176.08 2kfs s SER 15 N 2.30 5.52 -0.22 1.64 1.04 -1.24 -3.10 113.70 119.64 2kfs s SER 15 Ca 0.10 -0.37 -0.26 0.00 0.48 0.00 0.00 55.95 55.90 2kfs s SER 15 Cb -0.14 -2.55 -0.00 0.00 0.10 0.00 0.00 66.02 63.43 2kfs s SER 15 CO -0.31 -2.31 0.88 -0.63 0.98 0.00 0.00 173.24 171.85 2kfs s ILE 16 N 8.38 4.81 0.77 -1.02 -1.09 -1.25 -5.04 121.20 126.76 2kfs s ILE 16 Ca 0.61 1.69 -0.12 0.00 -2.23 0.00 0.00 60.65 60.60 2kfs s ILE 16 Cb -0.08 -4.17 0.06 0.00 -1.58 0.00 0.00 42.46 36.69 2kfs s ILE 16 CO 0.08 -0.07 1.10 -2.16 -1.23 0.00 0.00 174.94 172.66 2kfs s PRO 17 N 2.74 2.28 -0.13 2.79 0.04 -1.26 -4.88 135.00 136.58 2kfs s PRO 17 Ca 0.38 0.55 0.02 0.00 0.04 0.00 0.00 61.00 61.99 2kfs s PRO 17 Cb -0.16 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.45 2kfs s PRO 17 CO 0.08 -1.46 -0.18 0.00 0.04 0.00 0.00 177.00 175.48 2kfs s ALA 18 N -3.24 1.98 0.00 8.56 0.00 -1.26 -4.59 121.76 123.21 2kfs s ALA 18 Ca 0.60 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.63 2kfs s ALA 18 Cb -0.13 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 22.03 2kfs s ALA 18 CO 0.53 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.57 2kfs n GLY 19 N 4.28 -0.09 3.18 0.00 0.00 -1.26 -4.67 105.19 106.63 2kfs n GLY 19 Ca -0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.46 1.99 0.25 1.61 2.15 -1.26 -3.89 116.67 117.06 2kfs s ASP 20 Ca 0.00 -0.42 -0.30 0.00 0.43 0.00 0.00 52.55 52.26 2kfs s ASP 20 Cb 0.00 -0.17 -0.09 0.00 -0.30 0.00 0.00 42.92 42.36 2kfs s ASP 20 CO 0.00 0.13 1.06 -0.62 -0.17 0.00 0.00 175.17 175.57 2kfs s ASP 21 N -0.89 7.35 -0.01 -0.34 2.15 -0.10 -4.47 116.67 120.35 2kfs s ASP 21 Ca 0.05 2.16 0.08 0.00 0.43 0.00 0.00 52.55 55.28 2kfs s ASP 21 Cb -0.08 -2.62 -0.11 0.00 -0.30 0.00 0.00 42.92 39.81 2kfs s ASP 21 CO 0.01 -0.09 0.27 0.52 -0.17 0.00 0.00 175.17 175.71 2kfs n VAL 22 N 1.51 0.00 -2.82 1.11 0.31 -1.26 -5.01 118.33 112.18 2kfs n VAL 22 Ca -0.00 -0.25 -0.21 0.00 -0.01 0.00 0.00 64.34 63.86 2kfs n VAL 22 Cb 0.46 0.66 0.09 0.00 -0.91 0.00 0.00 33.84 34.14 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 -1.49 0.00 -4.65 7.52 -0.00 -1.26 -5.03 117.00 112.09 2kfs n LEU 23 Ca 0.00 -2.29 -0.35 0.00 -0.00 0.00 0.00 56.01 53.38 2kfs n LEU 23 Cb 0.18 -0.54 -0.10 0.00 -0.00 0.00 0.00 43.42 42.96 2kfs n LEU 23 CO 0.18 -0.85 -0.30 -0.62 -0.00 0.00 0.00 177.39 175.79 2kfs s ASP 24 N -4.82 5.25 0.65 1.45 2.15 -1.26 -5.00 116.67 115.09 2kfs s ASP 24 Ca 0.63 0.10 0.29 0.00 0.43 0.00 0.00 52.55 54.00 2kfs s ASP 24 Cb -0.04 -1.60 1.56 0.00 -0.30 0.00 0.00 42.92 42.53 2kfs s ASP 24 CO 0.41 0.32 1.90 1.55 -0.17 0.00 0.00 175.17 179.18 2kfs h PRO 25 N 5.60 0.00 0.00 4.34 0.13 -2.00 0.20 132.00 140.27 2kfs h PRO 25 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2kfs h PRO 25 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kfs h PRO 25 CO 0.58 0.00 0.00 0.22 -0.23 0.00 0.00 178.00 178.57 2kfs h ASP 26 N 0.00 0.00 -3.51 1.44 3.58 -2.05 -3.45 116.42 112.43 2kfs h ASP 26 Ca 0.05 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 56.99 2kfs h ASP 26 Cb 0.80 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.85 2kfs h ASP 26 CO -0.00 0.00 0.02 -1.61 -2.88 0.00 0.00 179.24 174.77 2kfs s GLU 27 N -3.51 3.72 -0.41 0.28 2.02 0.06 -4.96 118.70 115.90 2kfs s GLU 27 Ca 0.03 0.29 -0.39 0.00 0.02 0.00 0.00 54.97 54.92 2kfs s GLU 27 Cb 0.08 -2.49 -0.15 0.00 0.10 0.00 0.00 34.13 31.67 2kfs s GLU 27 CO 0.57 0.06 2.16 -0.35 0.02 0.00 0.00 175.26 177.72 2kfs n PRO 28 N -1.15 0.62 -4.48 0.39 -0.04 -1.26 -4.93 135.00 124.15 2kfs n PRO 28 Ca 0.01 0.17 -0.23 0.00 -0.04 0.00 0.00 63.50 63.41 2kfs n PRO 28 Cb 0.54 -2.05 -0.11 0.00 -0.04 0.00 0.00 33.50 31.85 2kfs n PRO 28 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2kfs s THR 29 N 6.70 1.61 0.13 0.52 -4.23 -1.26 -1.59 115.64 117.53 2kfs s THR 29 Ca 1.14 -2.07 0.05 0.00 -1.18 0.00 0.00 61.69 59.63 2kfs s THR 29 Cb -1.14 -2.67 -0.04 0.00 1.34 0.00 0.00 72.50 69.99 2kfs s THR 29 CO 0.56 -0.15 -0.11 -0.31 -0.54 0.00 0.00 174.62 174.08 2kfs s TYR 30 N -3.02 1.26 0.21 3.99 2.02 0.14 -4.42 117.35 117.53 2kfs s TYR 30 Ca 0.33 -0.70 0.00 0.00 -0.37 0.00 0.00 57.07 56.33 2kfs s TYR 30 Cb 0.06 -0.65 -0.05 0.00 -0.40 0.00 0.00 41.96 40.93 2kfs s TYR 30 CO 0.14 0.08 0.09 0.34 -1.57 0.00 0.00 175.55 174.64 2kfs s ASP 31 N -2.91 0.75 0.13 2.29 -1.08 -1.26 -1.01 116.67 113.58 2kfs s ASP 31 Ca 0.13 -1.34 -0.28 0.00 -0.52 0.00 0.00 52.55 50.54 2kfs s ASP 31 Cb 0.00 0.24 -0.05 0.00 -1.46 0.00 0.00 42.92 41.66 2kfs s ASP 31 CO 0.01 -0.75 1.59 -0.07 0.52 0.00 0.00 175.17 176.47 2kfs h LEU 32 N 2.55 -1.23 -1.03 -1.34 -0.00 -1.99 0.67 115.31 112.95 2kfs h LEU 32 Ca -0.37 0.16 0.06 0.00 -0.00 0.00 0.00 57.88 57.73 2kfs h LEU 32 Cb 1.24 0.50 -0.06 0.00 -0.00 0.00 0.00 40.66 42.34 2kfs h LEU 32 CO 0.58 -0.41 0.65 1.55 -0.00 0.00 0.00 178.44 180.80 2kfs h PRO 33 N -0.48 1.16 -0.26 1.13 0.13 -1.98 -0.76 132.00 130.94 2kfs h PRO 33 Ca 0.08 -0.07 -0.16 0.00 -0.87 0.00 0.00 66.00 64.98 2kfs h PRO 33 Cb 0.61 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 31.47 2kfs h PRO 33 CO -0.38 0.76 -0.47 -0.09 -0.23 0.00 0.00 178.00 177.60 2kfs h ARG 34 N 1.19 0.70 -0.32 0.86 9.65 -1.76 -0.79 114.38 123.91 2kfs h ARG 34 Ca 0.42 -0.40 -0.14 0.00 -1.10 0.00 0.00 59.98 58.76 2kfs h ARG 34 Cb 0.12 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.72 2kfs h ARG 34 CO -0.15 1.01 -0.36 0.28 2.80 0.00 0.00 179.97 183.54 2kfs h VAL 35 N 0.56 1.28 -0.82 0.20 2.07 -0.48 -0.05 116.25 119.02 2kfs h VAL 35 Ca 0.03 -1.53 0.05 0.00 0.82 0.00 0.00 66.70 66.07 2kfs h VAL 35 Cb 1.02 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 32.16 2kfs h VAL 35 CO 0.10 0.50 0.51 0.00 0.02 0.00 0.00 177.57 178.69 2kfs h ALA 36 N 0.98 1.10 -0.29 1.67 0.00 -0.94 -0.03 119.26 121.74 2kfs h ALA 36 Ca 0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2kfs h ALA 36 Cb 0.90 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2kfs h ALA 36 CO 0.08 0.29 0.07 1.49 0.00 0.00 0.00 179.25 181.17 2kfs h GLU 37 N 0.96 0.47 -0.59 0.00 4.57 -0.73 0.24 114.58 119.50 2kfs h GLU 37 Ca 0.34 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.39 2kfs h GLU 37 Cb 0.09 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 2kfs h GLU 37 CO -0.14 0.55 0.30 1.25 -1.18 0.00 0.00 179.01 179.79 2kfs h LEU 38 N 0.30 0.75 0.00 1.64 5.85 -0.32 -2.94 115.31 120.59 2kfs h LEU 38 Ca 0.09 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2kfs h LEU 38 Cb 0.30 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.13 2kfs h LEU 38 CO 0.00 0.66 -1.09 0.18 -0.34 0.00 0.00 178.44 177.85 2kfs n LEU 39 N -4.55 0.70 -0.21 2.25 4.77 -0.09 -4.95 117.00 114.91 2kfs n LEU 39 Ca 0.04 -0.25 -0.03 0.00 -0.03 0.00 0.00 56.01 55.74 2kfs n LEU 39 Cb 0.11 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.13 2kfs n LEU 39 CO 0.37 0.15 -0.03 0.61 -1.33 0.00 0.00 177.39 177.16 2kfs n GLY 40 N 1.43 0.60 3.65 -0.72 0.00 0.76 -5.02 105.19 105.90 2kfs n GLY 40 Ca 0.03 -0.64 -0.23 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.05 3.52 0.86 1.61 -7.23 -0.65 -4.99 120.40 111.47 2kfs s VAL 41 Ca 0.00 -1.84 -0.12 0.00 -1.81 0.00 0.00 61.98 58.21 2kfs s VAL 41 Cb 0.00 -2.87 0.11 0.00 0.56 0.00 0.00 36.38 34.18 2kfs s VAL 41 CO 0.00 -0.35 1.16 -2.16 -0.31 0.00 0.00 175.10 173.44 2kfs s PRO 42 N -3.61 1.53 0.44 4.82 0.04 -1.26 -4.32 135.00 132.65 2kfs s PRO 42 Ca 0.31 0.20 0.14 0.00 0.04 0.00 0.00 61.00 61.69 2kfs s PRO 42 Cb -0.07 -1.89 1.05 0.00 0.04 0.00 0.00 34.50 33.63 2kfs s PRO 42 CO 0.20 -1.91 2.01 0.28 0.04 0.00 0.00 177.00 177.62 2kfs h VAL 43 N -1.29 0.92 -0.49 -0.36 2.07 -1.95 -1.08 116.25 114.08 2kfs h VAL 43 Ca -0.48 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 66.96 2kfs h VAL 43 Cb 1.33 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 2kfs h VAL 43 CO 0.64 0.07 0.21 0.28 0.02 0.00 0.00 177.57 178.78 2kfs h SER 44 N 0.37 0.26 0.04 0.57 0.02 -1.99 -0.45 113.55 112.37 2kfs h SER 44 Ca 0.23 0.04 -0.14 0.00 -0.84 0.00 0.00 61.79 61.09 2kfs h SER 44 Cb 0.44 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 2kfs h SER 44 CO -0.06 0.18 -0.45 0.11 -1.14 0.00 0.00 176.83 175.48 2kfs h LYS 45 N 0.41 0.50 -0.59 3.45 1.57 -1.57 -2.49 116.57 117.85 2kfs h LYS 45 Ca 0.22 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2kfs h LYS 45 Cb 0.19 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 2kfs h LYS 45 CO -0.19 0.85 0.34 0.28 -0.57 0.00 0.00 179.45 180.16 2kfs h VAL 46 N 0.40 1.18 -0.84 0.50 2.07 -0.97 0.79 116.25 119.38 2kfs h VAL 46 Ca 0.03 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 2kfs h VAL 46 Cb 0.95 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 2kfs h VAL 46 CO 0.08 0.19 0.49 0.00 0.02 0.00 0.00 177.57 178.35 2kfs h ALA 47 N 1.17 1.28 -0.37 1.67 0.00 -1.00 -2.16 119.26 119.85 2kfs h ALA 47 Ca 0.21 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 2kfs h ALA 47 Cb 0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 2kfs h ALA 47 CO -0.04 0.60 -0.17 1.96 0.00 0.00 0.00 179.25 181.61 2kfs h GLN 48 N 1.16 0.67 -0.76 0.00 1.08 -0.78 -2.41 115.11 114.07 2kfs h GLN 48 Ca 0.30 -0.24 0.04 0.00 -1.45 0.00 0.00 58.65 57.31 2kfs h GLN 48 Cb -0.02 -0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 27.31 2kfs h GLN 48 CO -0.05 0.81 0.47 1.96 -0.95 0.00 0.00 178.83 181.06 2kfs h GLN 49 N 0.60 0.86 -0.80 1.46 1.08 -0.24 -0.20 115.11 117.87 2kfs h GLN 49 Ca 0.10 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.21 2kfs h GLN 49 Cb 0.63 -0.19 -0.04 0.00 -0.05 0.00 0.00 27.48 27.83 2kfs h GLN 49 CO 0.04 0.57 0.37 1.25 -0.95 0.00 0.00 178.83 180.11 2kfs h LEU 50 N 0.88 1.05 -1.28 1.46 5.85 -1.26 -2.39 115.31 119.62 2kfs h LEU 50 Ca 0.32 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2kfs h LEU 50 Cb 0.09 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 2kfs h LEU 50 CO -0.14 0.90 -0.05 0.03 -0.34 0.00 0.00 178.44 178.84 2kfs h ARG 51 N 1.13 0.00 0.00 1.25 -0.00 -0.64 -2.68 114.38 113.44 2kfs h ARG 51 Ca 0.27 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.75 2kfs h ARG 51 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.10 2kfs h ARG 51 CO -0.03 0.05 0.00 0.39 0.00 0.00 0.00 179.97 180.38 2kfs n GLU 52 N -3.16 0.09 -1.13 0.04 -0.58 -0.24 -1.41 120.64 114.26 2kfs n GLU 52 Ca 0.01 0.16 -0.02 0.00 -0.42 0.00 0.00 57.16 56.89 2kfs n GLU 52 Cb 0.35 -1.63 -0.01 0.00 -0.57 0.00 0.00 31.44 29.58 2kfs n GLU 52 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kfs n GLY 53 N 0.95 0.51 0.83 0.62 0.00 -1.01 -3.78 105.19 103.32 2kfs n GLY 53 Ca 0.05 -0.98 0.09 0.00 0.00 0.00 0.00 46.02 45.18 2kfs n GLY 53 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kfs n HIS 54 N -3.02 0.31 -3.46 1.61 8.25 -1.22 -4.70 115.22 113.00 2kfs n HIS 54 Ca -0.02 -0.21 -0.13 0.00 -0.26 0.00 0.00 57.72 57.10 2kfs n HIS 54 Cb 0.10 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 2kfs n HIS 54 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2kfs s LEU 55 N -1.26 -0.56 0.04 2.41 2.96 -1.25 -4.66 118.68 116.36 2kfs s LEU 55 Ca 0.27 0.17 0.04 0.00 -0.22 0.00 0.00 54.13 54.39 2kfs s LEU 55 Cb 0.16 2.50 -0.02 0.00 0.50 0.00 0.00 46.19 49.33 2kfs s LEU 55 CO 0.23 -0.83 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.63 2kfs s VAL 56 N -3.04 0.84 0.12 1.68 1.01 -1.26 -4.60 120.40 115.15 2kfs s VAL 56 Ca -0.01 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.03 2kfs s VAL 56 Cb -0.01 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 2kfs s VAL 56 CO -0.07 -0.14 -0.10 0.00 0.00 0.00 0.00 175.10 174.79 2kfs s ALA 57 N -0.99 1.24 0.25 5.51 0.00 -1.26 -4.61 121.76 121.90 2kfs s ALA 57 Ca -0.03 -1.34 0.04 0.00 0.00 0.00 0.00 51.96 50.63 2kfs s ALA 57 Cb -0.08 0.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 2kfs s ALA 57 CO 0.01 -0.08 0.01 0.14 0.00 0.00 0.00 175.76 175.83 2kfs s VAL 58 N -2.96 1.08 -0.13 0.00 -7.23 0.47 -4.38 120.40 107.25 2kfs s VAL 58 Ca 0.11 -2.03 0.03 0.00 -1.81 0.00 0.00 61.98 58.27 2kfs s VAL 58 Cb 0.00 -2.44 0.01 0.00 0.56 0.00 0.00 36.38 34.52 2kfs s VAL 58 CO -0.00 -0.25 -0.21 -0.60 -0.31 0.00 0.00 175.10 173.72 2kfs s ARG 59 N -3.87 2.86 -0.22 4.82 3.52 -1.25 -0.12 118.95 124.69 2kfs s ARG 59 Ca 0.30 -0.80 -0.01 0.00 -0.13 0.00 0.00 55.73 55.10 2kfs s ARG 59 Cb 0.06 -2.31 0.02 0.00 -1.56 0.00 0.00 34.95 31.17 2kfs s ARG 59 CO 0.10 -0.00 -0.11 -0.98 -0.81 0.00 0.00 175.30 173.50 2kfs s ARG 60 N 0.79 2.92 0.00 5.12 3.03 0.88 -0.93 118.95 130.77 2kfs s ARG 60 Ca -0.08 -0.90 0.00 0.00 2.03 0.00 0.00 55.73 56.77 2kfs s ARG 60 Cb -0.16 -2.85 0.00 0.00 -1.03 0.00 0.00 34.95 30.92 2kfs s ARG 60 CO -0.01 -0.32 0.00 0.00 -1.13 0.00 0.00 175.30 173.84 2kfs n ALA 61 N 4.65 0.00 -0.15 7.88 0.00 -1.26 -1.10 120.51 130.53 2kfs n ALA 61 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2kfs n ALA 61 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 0.15 3.81 0.00 0.00 -1.26 -5.15 105.19 102.74 2kfs n GLY 62 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 2.05 -0.18 -0.02 0.00 -0.26 -5.06 107.32 103.86 2kfs s GLY 63 Ca 0.00 -0.86 -0.14 0.00 0.00 0.00 0.00 44.72 43.72 2kfs s GLY 63 CO 0.00 -0.75 0.29 0.14 0.00 0.00 0.00 173.10 172.77 2kfs s VAL 64 N -1.24 5.30 0.14 1.40 1.01 -1.26 -0.08 120.40 125.66 2kfs s VAL 64 Ca 0.25 0.52 0.05 0.00 0.00 0.00 0.00 61.98 62.79 2kfs s VAL 64 Cb -0.12 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2kfs s VAL 64 CO 0.16 0.36 -0.11 0.68 0.00 0.00 0.00 175.10 176.20 2kfs s VAL 65 N 0.66 1.16 -0.13 2.92 -7.23 0.83 -4.39 120.40 114.22 2kfs s VAL 65 Ca 0.15 -1.96 0.01 0.00 -1.81 0.00 0.00 61.98 58.37 2kfs s VAL 65 Cb -0.13 -1.74 0.02 0.00 0.56 0.00 0.00 36.38 35.09 2kfs s VAL 65 CO 0.04 -0.68 -0.15 -0.63 -0.31 0.00 0.00 175.10 173.37 2kfs s ILE 66 N -3.07 1.54 0.12 -0.62 1.01 -0.18 -0.39 121.20 119.61 2kfs s ILE 66 Ca 0.14 -0.63 -0.33 0.00 0.00 0.00 0.00 60.65 59.83 2kfs s ILE 66 Cb 0.01 -1.44 -0.12 0.00 0.01 0.00 0.00 42.46 40.92 2kfs s ILE 66 CO 0.01 0.45 1.75 -2.65 0.00 0.00 0.00 174.94 174.50 2kfs n PRO 67 N 4.57 2.50 0.29 2.79 -0.02 -1.26 0.24 135.00 144.10 2kfs n PRO 67 Ca -0.18 0.91 0.15 0.00 -2.02 0.00 0.00 63.50 62.36 2kfs n PRO 67 Cb 0.50 -2.75 0.85 0.00 -0.02 0.00 0.00 33.50 32.09 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 7.57 0.00 0.00 -0.52 4.15 -1.51 -1.47 115.11 123.33 2kfs h GLN 68 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.96 2kfs h GLN 68 Cb 1.24 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.93 2kfs h GLN 68 CO 0.93 0.05 0.00 1.33 -1.93 0.00 0.00 178.83 179.21 2kfs n VAL 69 N -3.70 0.56 1.16 2.39 0.24 -1.26 -1.00 118.33 116.72 2kfs n VAL 69 Ca -0.02 0.14 0.13 0.00 -2.04 0.00 0.00 64.34 62.55 2kfs n VAL 69 Cb 0.15 -0.95 0.46 0.00 -1.47 0.00 0.00 33.84 32.03 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 -1.23 0.00 -4.40 6.34 3.01 -0.55 -4.83 117.46 115.80 2kfs n PHE 70 Ca 0.06 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.29 2kfs n PHE 70 Cb 0.08 -0.26 -0.09 0.00 -0.01 0.00 0.00 39.48 39.20 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 -2.76 2.46 0.53 1.38 0.40 -0.17 -3.44 117.98 116.37 2kfs s PHE 71 Ca 0.19 -0.29 -0.04 0.00 -0.60 0.00 0.00 56.93 56.19 2kfs s PHE 71 Cb 0.19 -1.07 -0.01 0.00 0.51 0.00 0.00 43.02 42.64 2kfs s PHE 71 CO 0.57 0.68 0.82 0.95 0.70 0.00 0.00 175.22 178.94 2kfs s THR 72 N -2.43 4.08 -0.15 0.64 -4.23 0.79 -4.86 115.64 109.48 2kfs s THR 72 Ca 0.31 -0.05 0.28 0.00 -1.18 0.00 0.00 61.69 61.04 2kfs s THR 72 Cb -0.06 -3.57 0.29 0.00 1.34 0.00 0.00 72.50 70.50 2kfs s THR 72 CO 0.17 -0.54 1.84 -0.55 -0.54 0.00 0.00 174.62 174.99 2kfs h ASN 73 N 0.06 0.00 0.94 3.99 7.08 -1.92 0.66 115.58 126.38 2kfs h ASN 73 Ca -0.46 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.76 2kfs h ASN 73 Cb 1.24 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.48 2kfs h ASN 73 CO 0.60 0.00 0.00 -1.20 -2.08 0.00 0.00 177.43 174.75 2kfs n SER 74 N -2.52 0.00 0.00 6.14 7.64 -1.26 -4.90 113.62 118.71 2kfs n SER 74 Ca 0.00 0.43 0.00 0.00 1.01 0.00 0.00 58.87 60.31 2kfs n SER 74 Cb 0.18 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 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 1.43 0.66 3.89 0.23 0.00 0.22 -5.05 105.19 106.57 2kfs n GLY 75 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 3.73 0.21 1.61 -0.21 -1.26 -4.78 119.66 118.22 2kfs s GLN 76 Ca 0.00 0.21 -0.30 0.00 0.02 0.00 0.00 55.36 55.30 2kfs s GLN 76 Cb 0.00 -2.59 -0.08 0.00 1.00 0.00 0.00 33.01 31.34 2kfs s GLN 76 CO 0.00 0.20 1.19 0.08 -2.12 0.00 0.00 175.29 174.64 2kfs s VAL 77 N -2.04 3.49 0.18 1.09 1.01 -1.26 -0.15 120.40 122.72 2kfs s VAL 77 Ca 0.47 1.30 -0.32 0.00 0.00 0.00 0.00 61.98 63.43 2kfs s VAL 77 Cb -0.11 -3.83 -0.11 0.00 0.00 0.00 0.00 36.38 32.33 2kfs s VAL 77 CO 0.27 0.23 1.71 -0.69 0.00 0.00 0.00 175.10 176.61 2kfs s VAL 78 N -0.31 2.27 0.52 2.92 1.01 -1.22 -4.84 120.40 120.75 2kfs s VAL 78 Ca 0.51 0.13 0.36 0.00 0.00 0.00 0.00 61.98 62.98 2kfs s VAL 78 Cb -0.33 -3.08 0.38 0.00 0.00 0.00 0.00 36.38 33.35 2kfs s VAL 78 CO 0.38 0.01 2.23 0.07 0.00 0.00 0.00 175.10 177.79 2kfs h LYS 79 N 7.14 0.00 -0.00 2.72 -0.00 -1.95 0.76 116.57 125.24 2kfs h LYS 79 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.22 2kfs h LYS 79 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.43 2kfs h LYS 79 CO 0.95 0.03 -0.32 0.43 -0.00 0.00 0.00 179.45 180.54 2kfs n SER 80 N -3.39 0.53 0.29 7.07 7.64 -1.26 -4.30 113.62 120.20 2kfs n SER 80 Ca -0.02 -0.32 -0.16 0.00 1.01 0.00 0.00 58.87 59.39 2kfs n SER 80 Cb 0.14 0.07 -0.08 0.00 -1.01 0.00 0.00 64.21 63.33 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 0.33 -0.62 -2.13 -3.43 5.85 -1.20 -1.25 115.31 112.85 2kfs h LEU 81 Ca 0.00 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 2kfs h LEU 81 Cb 0.48 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 2kfs h LEU 81 CO 0.00 -0.33 -0.07 -0.65 -0.34 0.00 0.00 178.44 177.05 2kfs h PRO 82 N -0.90 0.00 -0.21 5.25 0.11 -1.75 -0.97 132.00 133.53 2kfs h PRO 82 Ca -0.07 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.97 2kfs h PRO 82 Cb 0.62 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.73 2kfs h PRO 82 CO 0.12 0.07 -0.13 0.78 -0.21 0.00 0.00 178.00 178.63 2kfs h GLY 83 N 0.49 0.50 1.10 -0.55 0.00 -1.69 0.01 103.07 102.92 2kfs h GLY 83 Ca -0.00 -0.47 -0.14 0.00 0.00 0.00 0.00 47.33 46.72 2kfs h GLY 83 CO 0.01 0.42 -0.27 0.17 0.00 0.00 0.00 176.54 176.87 2kfs h LEU 84 N 0.15 0.98 -1.09 3.11 8.10 -0.53 -2.97 115.31 123.06 2kfs h LEU 84 Ca 0.04 -0.42 0.01 0.00 0.11 0.00 0.00 57.88 57.62 2kfs h LEU 84 Cb 0.64 -0.27 -0.05 0.00 -0.44 0.00 0.00 40.66 40.54 2kfs h LEU 84 CO 0.04 1.19 0.61 -0.07 -4.11 0.00 0.00 178.44 176.10 2kfs h LEU 85 N 0.78 1.06 -0.15 0.17 3.38 -1.09 -2.00 115.31 117.46 2kfs h LEU 85 Ca 0.09 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2kfs h LEU 85 Cb 0.85 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2kfs h LEU 85 CO 0.08 0.76 0.08 0.74 0.09 0.00 0.00 178.44 180.19 2kfs h THR 86 N 1.25 1.09 -0.29 0.22 2.02 -0.86 -0.59 112.91 115.75 2kfs h THR 86 Ca 0.34 -0.25 -0.07 0.00 0.77 0.00 0.00 66.41 67.20 2kfs h THR 86 Cb -0.13 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 2kfs h THR 86 CO -0.08 0.09 -0.10 -0.29 0.37 0.00 0.00 175.52 175.51 2kfs h ILE 87 N 0.15 1.29 -0.32 3.11 -0.00 -1.28 0.06 117.51 120.51 2kfs h ILE 87 Ca 0.05 -1.15 -0.10 0.00 -0.00 0.00 0.00 64.86 63.66 2kfs h ILE 87 Cb 0.06 1.44 -0.01 0.00 -0.00 0.00 0.00 36.82 38.31 2kfs h ILE 87 CO -0.01 0.37 -0.22 -0.07 -0.00 0.00 0.00 178.15 178.22 2kfs h LEU 88 N 0.33 0.61 -0.63 2.19 -0.00 -1.38 -1.41 115.31 115.02 2kfs h LEU 88 Ca 0.07 -0.20 -0.06 0.00 -0.00 0.00 0.00 57.88 57.69 2kfs h LEU 88 Cb 0.59 -0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 41.06 2kfs h LEU 88 CO 0.03 0.82 0.18 -0.74 -0.00 0.00 0.00 178.44 178.74 2kfs h HIS 89 N 0.54 1.03 -0.08 1.13 2.76 -0.87 -1.09 115.15 118.56 2kfs h HIS 89 Ca 0.08 -0.11 -0.06 0.00 -2.20 0.00 0.00 60.37 58.08 2kfs h HIS 89 Cb 0.67 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 29.33 2kfs h HIS 89 CO 0.03 0.85 -0.22 0.22 -1.30 0.00 0.00 177.93 177.52 2kfs h ASP 90 N 0.91 0.13 0.74 3.26 3.58 -0.72 -1.81 116.42 122.51 2kfs h ASP 90 Ca 0.20 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.62 2kfs h ASP 90 Cb 0.32 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.34 2kfs h ASP 90 CO -0.00 0.36 -0.21 0.61 -2.88 0.00 0.00 179.24 177.12 2kfs n GLY 91 N -0.77 -1.34 1.14 -0.78 0.00 -0.55 -4.95 105.19 97.94 2kfs n GLY 91 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 1.48 0.65 3.58 -0.02 0.00 -0.52 -5.07 105.19 105.28 2kfs n GLY 92 Ca 0.07 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.93 2.89 0.67 1.61 1.51 -0.56 -5.04 117.35 115.51 2kfs s TYR 93 Ca 0.00 -0.03 -0.04 0.00 -1.01 0.00 0.00 57.07 55.99 2kfs s TYR 93 Cb 0.00 -1.63 0.07 0.00 -0.11 0.00 0.00 41.96 40.28 2kfs s TYR 93 CO 0.00 0.35 0.96 -0.98 -1.11 0.00 0.00 175.55 174.77 2kfs s ARG 94 N -1.23 2.18 0.20 -0.62 1.70 -1.26 -4.57 118.95 115.35 2kfs s ARG 94 Ca 0.16 -0.49 -0.11 0.00 -0.47 0.00 0.00 55.73 54.82 2kfs s ARG 94 Cb -0.11 -2.26 0.22 0.00 -0.57 0.00 0.00 34.95 32.24 2kfs s ARG 94 CO 0.06 -1.16 1.76 0.38 -1.08 0.00 0.00 175.30 175.25 2kfs h ASP 95 N -0.45 0.27 -0.72 -2.89 2.03 -1.93 -1.25 116.42 111.48 2kfs h ASP 95 Ca -0.43 0.06 -0.07 0.00 -0.73 0.00 0.00 57.03 55.86 2kfs h ASP 95 Cb 1.30 0.02 -0.03 0.00 -0.83 0.00 0.00 39.33 39.80 2kfs h ASP 95 CO 0.55 0.17 0.18 0.74 -1.03 0.00 0.00 179.24 179.86 2kfs h THR 96 N 0.43 1.26 -0.33 1.15 2.02 -1.90 -2.47 112.91 113.08 2kfs h THR 96 Ca 0.27 -0.97 -0.08 0.00 0.77 0.00 0.00 66.41 66.41 2kfs h THR 96 Cb 0.29 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 2kfs h THR 96 CO -0.25 0.38 -0.12 -0.33 0.37 0.00 0.00 175.52 175.56 2kfs h GLU 97 N 1.09 0.56 -0.28 6.66 5.08 -1.64 -0.80 114.58 125.25 2kfs h GLU 97 Ca 0.23 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2kfs h GLU 97 Cb 0.37 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2kfs h GLU 97 CO 0.00 0.68 0.16 0.82 -1.00 0.00 0.00 179.01 179.67 2kfs h ILE 98 N 0.52 1.11 0.00 3.13 1.08 -0.89 -1.92 117.51 120.55 2kfs h ILE 98 Ca 0.09 -0.29 -0.06 0.00 -0.39 0.00 0.00 64.86 64.22 2kfs h ILE 98 Cb 0.52 0.80 -0.01 0.00 -3.07 0.00 0.00 36.82 35.06 2kfs h ILE 98 CO 0.03 0.11 -0.27 0.24 -0.69 0.00 0.00 178.15 177.57 2kfs h MET 99 N 0.35 0.00 0.11 2.37 2.86 -1.18 -2.93 114.93 116.51 2kfs h MET 99 Ca 0.10 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2kfs h MET 99 Cb 0.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2kfs h MET 99 CO -0.02 0.27 -0.14 -0.09 1.06 0.00 0.00 176.91 178.00 2kfs h ARG 100 N 0.00 -0.25 -0.09 1.72 2.43 -0.31 -0.39 114.38 117.49 2kfs h ARG 100 Ca -0.00 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.08 2kfs h ARG 100 Cb 0.53 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 2kfs h ARG 100 CO 0.04 -0.16 -0.42 0.11 -1.51 0.00 0.00 179.97 178.02 2kfs h TRP 101 N -0.26 0.24 -0.86 2.20 5.08 -1.63 -2.88 115.95 117.84 2kfs h TRP 101 Ca -0.01 -0.07 -0.01 0.00 1.08 0.00 0.00 58.89 59.88 2kfs h TRP 101 Cb 0.23 -0.05 -0.04 0.00 -3.00 0.00 0.00 29.16 26.29 2kfs h TRP 101 CO -0.17 0.60 0.50 -0.07 -1.28 0.00 0.00 178.44 178.01 2kfs h LEU 102 N 0.17 1.05 -0.51 0.11 3.38 -1.34 -2.73 115.31 115.45 2kfs h LEU 102 Ca 0.01 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2kfs h LEU 102 Cb 0.82 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2kfs h LEU 102 CO 0.06 0.83 -0.31 0.49 0.09 0.00 0.00 178.44 179.60 2kfs n PHE 103 N -4.40 0.00 -2.57 1.13 3.01 -0.17 -2.85 117.46 111.61 2kfs n PHE 103 Ca 0.09 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.12 2kfs n PHE 103 Cb 0.08 -0.12 -0.02 0.00 -0.01 0.00 0.00 39.48 39.41 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 -2.54 4.52 0.13 4.37 2.01 -1.03 -4.88 115.64 118.21 2kfs s THR 104 Ca 0.23 1.84 -0.31 0.00 0.31 0.00 0.00 61.69 63.75 2kfs s THR 104 Cb 0.19 -4.19 -0.09 0.00 0.01 0.00 0.00 72.50 68.42 2kfs s THR 104 CO 0.54 -0.17 1.47 -2.84 -0.69 0.00 0.00 174.62 172.94 2kfs s PRO 105 N 3.33 4.27 -0.29 4.92 0.02 -1.26 -4.16 135.00 141.83 2kfs s PRO 105 Ca 0.48 2.19 -0.09 0.00 0.02 0.00 0.00 61.00 63.61 2kfs s PRO 105 Cb -0.18 -3.25 -0.01 0.00 0.02 0.00 0.00 34.50 31.09 2kfs s PRO 105 CO 0.09 -0.52 0.12 0.34 -0.33 0.00 0.00 177.00 176.70 2kfs s ASP 106 N 1.23 5.38 0.57 2.53 2.15 0.10 -4.86 116.67 123.78 2kfs s ASP 106 Ca 0.67 -0.47 0.29 0.00 0.43 0.00 0.00 52.55 53.47 2kfs s ASP 106 Cb -0.39 -1.96 1.72 0.00 -0.30 0.00 0.00 42.92 41.99 2kfs s ASP 106 CO 0.31 -0.15 2.21 1.55 -0.17 0.00 0.00 175.17 178.91 2kfs h PRO 107 N 8.30 0.00 0.00 4.34 0.13 -1.87 -1.46 132.00 141.44 2kfs h PRO 107 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2kfs h PRO 107 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2kfs h PRO 107 CO 0.60 0.03 0.00 0.77 -0.23 0.00 0.00 178.00 179.17 2kfs h SER 108 N 0.00 0.00 -3.51 1.44 0.02 -1.93 -3.38 113.55 106.18 2kfs h SER 108 Ca -0.00 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.33 2kfs h SER 108 Cb 0.08 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 62.46 2kfs h SER 108 CO 0.00 0.00 -0.54 -0.22 -1.14 0.00 0.00 176.83 174.93 2kfs s LEU 109 N -5.47 3.93 -0.20 5.07 2.96 -0.56 -4.98 118.68 119.42 2kfs s LEU 109 Ca 0.06 0.05 -0.01 0.00 -0.22 0.00 0.00 54.13 54.01 2kfs s LEU 109 Cb 0.09 -2.04 0.06 0.00 0.50 0.00 0.00 46.19 44.79 2kfs s LEU 109 CO 0.57 0.08 -0.00 -0.89 -1.32 0.00 0.00 176.35 174.79 2kfs s THR 110 N 0.95 0.89 0.14 3.68 2.01 -1.26 -0.32 115.64 121.73 2kfs s THR 110 Ca 0.06 -0.75 0.01 0.00 0.31 0.00 0.00 61.69 61.32 2kfs s THR 110 Cb -0.13 -1.28 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 2kfs s THR 110 CO 0.03 -0.13 -0.00 0.27 -0.69 0.00 0.00 174.62 174.10 2kfs s ILE 111 N 1.69 0.51 -0.14 1.82 -4.36 -0.20 -4.91 121.20 115.62 2kfs s ILE 111 Ca -0.02 -1.94 -0.20 0.00 -0.26 0.00 0.00 60.65 58.23 2kfs s ILE 111 Cb -0.17 -1.96 -0.04 0.00 1.25 0.00 0.00 42.46 41.54 2kfs s ILE 111 CO -0.07 -0.60 0.55 0.42 0.24 0.00 0.00 174.94 175.48 2kfs s THR 112 N -3.76 5.12 0.01 8.37 -4.23 -1.26 0.81 115.64 120.70 2kfs s THR 112 Ca 0.20 1.08 -0.29 0.00 -1.18 0.00 0.00 61.69 61.49 2kfs s THR 112 Cb 0.06 -3.88 -0.03 0.00 1.34 0.00 0.00 72.50 69.99 2kfs s THR 112 CO 0.00 0.24 0.96 -0.60 -0.54 0.00 0.00 174.62 174.68 2kfs s ARG 113 N 1.10 4.56 -0.01 3.99 3.00 -0.97 -4.76 118.95 125.86 2kfs s ARG 113 Ca 0.28 1.38 -0.31 0.00 -1.00 0.00 0.00 55.73 56.08 2kfs s ARG 113 Cb -0.16 -3.45 -0.10 0.00 0.00 0.00 0.00 34.95 31.24 2kfs s ARG 113 CO 0.11 -0.01 1.95 -3.47 0.00 0.00 0.00 175.30 173.89 2kfs n ASP 114 N 3.77 3.92 0.00 -2.12 2.03 -1.26 -0.58 116.55 122.31 2kfs n ASP 114 Ca 0.05 0.91 0.00 0.00 0.52 0.00 0.00 54.79 56.27 2kfs n ASP 114 Cb 0.51 -1.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 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 4.55 1.11 3.39 0.27 0.00 -1.26 -5.01 105.19 108.23 2kfs n GLY 115 Ca 0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.81 2.77 0.01 1.61 0.01 0.25 -5.03 113.70 111.50 2kfs s SER 116 Ca 0.00 -1.07 0.21 0.00 1.31 0.00 0.00 55.95 56.40 2kfs s SER 116 Cb 0.00 -0.17 -0.23 0.00 0.21 0.00 0.00 66.02 65.83 2kfs s SER 116 CO 0.00 -0.19 0.58 -2.11 0.41 0.00 0.00 173.24 171.93 2kfs n ARG 117 N -0.47 0.65 -1.95 12.44 1.85 -1.26 -4.46 116.66 123.46 2kfs n ARG 117 Ca -0.07 -0.05 -0.35 0.00 -1.00 0.00 0.00 57.85 56.38 2kfs n ARG 117 Cb 0.61 -1.62 0.04 0.00 -1.05 0.00 0.00 32.46 30.44 2kfs n ARG 117 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2kfs s ASP 118 N -4.99 5.16 -0.19 2.89 1.11 -1.26 -4.85 116.67 114.55 2kfs s ASP 118 Ca -0.06 2.28 -0.10 0.00 0.18 0.00 0.00 52.55 54.85 2kfs s ASP 118 Cb 0.11 -2.59 -0.05 0.00 1.07 0.00 0.00 42.92 41.47 2kfs s ASP 118 CO 0.86 -1.61 0.13 0.00 1.18 0.00 0.00 175.17 175.73 2kfs s ALA 119 N -1.80 3.70 -0.22 5.23 0.00 -1.26 -2.30 121.76 125.11 2kfs s ALA 119 Ca 0.74 -0.69 -0.05 0.00 0.00 0.00 0.00 51.96 51.97 2kfs s ALA 119 Cb -0.27 -2.14 -0.02 0.00 0.00 0.00 0.00 23.12 20.69 2kfs s ALA 119 CO 0.35 0.21 -0.01 0.08 0.00 0.00 0.00 175.76 176.39 2kfs s VAL 120 N 0.21 3.73 0.04 0.00 1.01 0.24 -4.93 120.40 120.70 2kfs s VAL 120 Ca 0.09 -0.38 -0.19 0.00 0.00 0.00 0.00 61.98 61.50 2kfs s VAL 120 Cb -0.11 -2.70 -0.06 0.00 0.00 0.00 0.00 36.38 33.50 2kfs s VAL 120 CO -0.01 0.41 0.54 -0.44 0.00 0.00 0.00 175.10 175.59 2kfs s SER 121 N 1.34 6.98 -0.56 3.32 0.01 -1.26 -1.03 113.70 122.50 2kfs s SER 121 Ca 0.04 1.17 -0.03 0.00 1.31 0.00 0.00 55.95 58.44 2kfs s SER 121 Cb -0.15 -2.34 -0.03 0.00 0.21 0.00 0.00 66.02 63.71 2kfs s SER 121 CO -0.00 0.24 0.49 -3.20 0.41 0.00 0.00 173.24 171.18 2kfs n ASN 122 N 2.00 -4.28 -4.93 2.44 2.85 0.57 -4.98 115.26 108.93 2kfs n ASN 122 Ca -0.10 -0.37 -0.20 0.00 -0.11 0.00 0.00 54.58 53.79 2kfs n ASN 122 Cb 0.51 -3.00 -0.02 0.00 1.24 0.00 0.00 39.78 38.51 2kfs n ASN 122 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kfs s ALA 123 N -3.21 4.01 0.21 5.20 0.00 -1.14 -4.37 121.76 122.47 2kfs s ALA 123 Ca 0.23 -1.50 -0.16 0.00 0.00 0.00 0.00 51.96 50.52 2kfs s ALA 123 Cb -0.03 -1.48 -0.08 0.00 0.00 0.00 0.00 23.12 21.54 2kfs s ALA 123 CO 0.39 0.04 0.66 -0.98 0.00 0.00 0.00 175.76 175.87 2kfs s ARG 124 N -4.06 4.09 0.55 0.00 1.70 -1.26 0.00 118.95 119.98 2kfs s ARG 124 Ca 0.41 0.68 0.29 0.00 -0.47 0.00 0.00 55.73 56.64 2kfs s ARG 124 Cb -0.08 -2.81 1.46 0.00 -0.57 0.00 0.00 34.95 32.95 2kfs s ARG 124 CO 0.29 0.38 1.93 -1.35 -1.08 0.00 0.00 175.30 175.46 2kfs h PRO 125 N 3.23 0.00 -0.79 3.89 0.11 -1.71 -0.77 132.00 135.97 2kfs h PRO 125 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2kfs h PRO 125 Cb 1.19 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 2kfs h PRO 125 CO 0.66 0.00 0.51 0.28 -0.21 0.00 0.00 178.00 179.23 2kfs h VAL 126 N 0.00 1.21 -0.00 3.15 2.07 -1.87 -2.60 116.25 118.21 2kfs h VAL 126 Ca 0.31 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 2kfs h VAL 126 Cb 1.35 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2kfs h VAL 126 CO -0.00 0.21 -0.25 -0.78 0.02 0.00 0.00 177.57 176.77 2kfs h ASP 127 N 1.08 0.00 -0.44 0.57 3.58 -1.44 -1.50 116.42 118.28 2kfs h ASP 127 Ca 0.29 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.74 2kfs h ASP 127 Cb -0.09 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 2kfs h ASP 127 CO -0.06 0.25 0.27 0.00 -2.88 0.00 0.00 179.24 176.83 2kfs h ALA 128 N 1.75 1.63 -0.21 -0.78 0.00 -1.49 -2.12 119.26 118.04 2kfs h ALA 128 Ca -0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2kfs h ALA 128 Cb 0.44 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2kfs h ALA 128 CO 0.03 0.32 -0.32 1.37 0.00 0.00 0.00 179.25 180.65 2kfs h LEU 129 N 0.62 0.45 -1.31 0.00 8.10 -1.33 0.16 115.31 121.99 2kfs h LEU 129 Ca 0.16 -0.17 -0.06 0.00 0.11 0.00 0.00 57.88 57.92 2kfs h LEU 129 Cb -0.03 -0.12 -0.01 0.00 -0.44 0.00 0.00 40.66 40.06 2kfs h LEU 129 CO -0.03 0.75 -0.20 0.45 -4.11 0.00 0.00 178.44 175.29 2kfs h HIS 130 N 0.37 0.22 -0.18 0.17 3.86 -1.46 -1.81 115.15 116.33 2kfs h HIS 130 Ca 0.05 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2kfs h HIS 130 Cb 0.75 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.16 2kfs h HIS 130 CO 0.02 0.41 0.00 0.00 0.86 0.00 0.00 177.93 179.22 2kfs n ALA 131 N -2.49 2.49 -2.18 2.45 0.00 -0.65 -4.69 120.51 115.45 2kfs n ALA 131 Ca -0.01 -0.37 -0.17 0.00 0.00 0.00 0.00 53.44 52.89 2kfs n ALA 131 Cb 0.32 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.71 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 0.05 -0.66 -1.25 0.00 -0.00 -0.68 -4.87 115.22 107.81 2kfs n HIS 132 Ca 0.10 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.28 2kfs n HIS 132 Cb 0.19 -3.31 0.22 0.00 -0.12 0.00 0.00 29.99 26.98 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 -2.59 2.29 -0.04 1.57 6.02 0.45 -4.71 117.38 120.37 2kfs n GLN 133 Ca -0.19 -3.03 0.24 0.00 -0.01 0.00 0.00 57.00 54.01 2kfs n GLN 133 Cb 0.63 -1.84 0.72 0.00 1.02 0.00 0.00 30.24 30.77 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 1.31 2.49 -0.48 -1.58 0.00 -1.78 0.21 119.26 119.42 2kfs h ALA 134 Ca 0.15 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.14 2kfs h ALA 134 Cb 1.63 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.44 2kfs h ALA 134 CO 0.35 -0.88 0.33 0.00 0.00 0.00 0.00 179.25 179.06 2kfs h ARG 135 N 0.00 0.21 0.00 0.00 2.47 -1.92 -0.20 114.38 114.94 2kfs h ARG 135 Ca 0.31 -0.01 -0.10 0.00 -1.26 0.00 0.00 59.98 58.92 2kfs h ARG 135 Cb 1.39 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.65 2kfs h ARG 135 CO -0.00 0.14 -0.46 0.93 0.56 0.00 0.00 179.97 181.14 2kfs h GLU 136 N 0.22 0.00 -0.18 0.04 4.39 -0.97 0.68 114.58 118.76 2kfs h GLU 136 Ca 0.22 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.86 2kfs h GLU 136 Cb 0.60 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.25 2kfs h GLU 136 CO -0.04 0.46 -0.15 0.28 -1.16 0.00 0.00 179.01 178.39 2kfs h VAL 137 N 0.00 1.33 -0.66 3.13 2.07 -1.15 -0.61 116.25 120.37 2kfs h VAL 137 Ca -0.00 -1.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.20 2kfs h VAL 137 Cb 1.03 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 32.54 2kfs h VAL 137 CO 0.06 0.39 0.32 0.58 0.02 0.00 0.00 177.57 178.94 2kfs h VAL 138 N 0.08 1.22 -0.51 2.57 2.07 -1.15 0.89 116.25 121.42 2kfs h VAL 138 Ca 0.03 -0.61 0.02 0.00 0.82 0.00 0.00 66.70 66.96 2kfs h VAL 138 Cb 0.68 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 2kfs h VAL 138 CO 0.04 0.25 0.30 -0.09 0.02 0.00 0.00 177.57 178.10 2kfs h ARG 139 N 0.91 0.59 -0.54 1.57 2.43 -0.74 0.64 114.38 119.23 2kfs h ARG 139 Ca 0.23 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.28 2kfs h ARG 139 Cb 0.11 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 2kfs h ARG 139 CO -0.03 0.39 0.00 -0.09 -1.51 0.00 0.00 179.97 178.73 2kfs h ARG 140 N 0.60 0.95 -0.37 0.20 9.65 -0.68 -2.01 114.38 122.72 2kfs h ARG 140 Ca 0.20 -0.30 0.01 0.00 -1.10 0.00 0.00 59.98 58.80 2kfs h ARG 140 Cb 0.02 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.49 2kfs h ARG 140 CO -0.09 0.96 0.22 0.00 2.80 0.00 0.00 179.97 183.86 2kfs h ALA 141 N 0.96 0.47 -0.74 2.80 0.00 -0.26 -0.70 119.26 121.79 2kfs h ALA 141 Ca 0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2kfs h ALA 141 Cb 0.53 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2kfs h ALA 141 CO 0.03 -0.12 0.37 1.96 0.00 0.00 0.00 179.25 181.48 2kfs h GLN 142 N 0.45 1.05 0.00 0.00 4.20 -0.73 0.64 115.11 120.72 2kfs h GLN 142 Ca 0.15 -0.15 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 2kfs h GLN 142 Cb 0.00 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 2kfs h GLN 142 CO -0.07 0.81 -0.25 0.00 -0.67 0.00 0.00 178.83 178.66 2kfs h ALA 143 N 1.18 1.33 0.04 3.87 0.00 -0.86 0.14 119.26 124.97 2kfs h ALA 143 Ca 0.25 -0.23 -0.28 0.00 0.00 0.00 0.00 54.91 54.66 2kfs h ALA 143 Cb 0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2kfs h ALA 143 CO -0.03 0.31 -1.49 0.52 0.00 0.00 0.00 179.25 178.55 2kfs h MET 144 N 0.00 0.08 0.00 0.00 2.86 -0.57 -3.40 114.93 113.91 2kfs h MET 144 Ca -0.00 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 2kfs h MET 144 Cb 0.53 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.23 2kfs h MET 144 CO 0.03 0.82 -0.07 0.00 1.06 0.00 0.00 176.91 178.75 2kfs h ALA 145 N 0.82 0.00 0.00 6.32 0.00 -0.47 -3.51 119.26 122.41 2kfs h ALA 145 Ca -0.21 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2kfs h ALA 145 Cb 1.95 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.82 2kfs h ALA 145 CO 0.11 0.07 0.00 0.66 0.00 0.00 0.00 179.25 180.10