#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 2.89 0.00 0.03 0.04 -1.26 -4.39 135.00 132.32 2kfs s PRO 2 Ca 0.00 0.88 0.00 0.00 0.04 0.00 0.00 61.00 61.92 2kfs s PRO 2 Cb 0.00 -4.31 0.00 0.00 0.04 0.00 0.00 34.50 30.23 2kfs s PRO 2 CO 0.00 -2.40 0.00 0.41 0.04 0.00 0.00 177.00 175.05 2kfs n GLY 3 N 5.58 0.00 3.73 0.56 0.00 -1.26 -5.14 105.19 108.66 2kfs n GLY 3 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 2kfs n GLY 3 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kfs s ARG 4 N 0.00 4.49 -0.08 1.61 0.52 -1.26 -5.03 118.95 119.20 2kfs s ARG 4 Ca 0.00 1.80 0.02 0.00 -0.52 0.00 0.00 55.73 57.03 2kfs s ARG 4 Cb 0.00 -3.29 -0.02 0.00 0.52 0.00 0.00 34.95 32.16 2kfs s ARG 4 CO 0.00 -0.11 -0.14 0.00 0.02 0.00 0.00 175.30 175.07 2kfs s ALA 5 N 0.30 2.62 0.39 2.13 0.00 -1.26 -5.11 121.76 120.84 2kfs s ALA 5 Ca 0.54 -0.94 -0.26 0.00 0.00 0.00 0.00 51.96 51.30 2kfs s ALA 5 Cb -0.31 -1.05 -0.09 0.00 0.00 0.00 0.00 23.12 21.67 2kfs s ALA 5 CO 0.33 0.42 1.18 -1.25 0.00 0.00 0.00 175.76 176.45 2kfs s PRO 6 N -0.26 4.12 -1.00 0.00 0.04 -1.26 -4.94 135.00 131.70 2kfs s PRO 6 Ca 0.02 1.89 -0.23 0.00 0.04 0.00 0.00 61.00 62.71 2kfs s PRO 6 Cb -0.13 -2.75 0.04 0.00 0.04 0.00 0.00 34.50 31.70 2kfs s PRO 6 CO 0.03 -0.28 1.48 0.20 0.04 0.00 0.00 177.00 178.47 2kfs s GLY 7 N -1.04 1.16 -0.50 0.56 0.00 -1.26 -4.94 107.32 101.31 2kfs s GLY 7 Ca 0.55 -2.16 -0.18 0.00 0.00 0.00 0.00 44.72 42.94 2kfs s GLY 7 CO 0.41 2.75 0.55 -0.56 0.00 0.00 0.00 173.10 176.24 2kfs s SER 8 N 5.15 6.19 0.20 1.64 0.01 -1.26 -5.05 113.70 120.59 2kfs s SER 8 Ca 0.47 -1.10 -0.18 0.00 1.31 0.00 0.00 55.95 56.45 2kfs s SER 8 Cb -0.01 -2.25 -0.08 0.00 0.21 0.00 0.00 66.02 63.89 2kfs s SER 8 CO -0.08 -0.81 0.68 -0.89 0.41 0.00 0.00 173.24 172.55 2kfs s THR 9 N 2.27 4.64 0.50 1.44 2.01 -1.26 -5.07 115.64 120.16 2kfs s THR 9 Ca 0.11 1.17 -0.09 0.00 0.31 0.00 0.00 61.69 63.19 2kfs s THR 9 Cb -0.21 -3.83 -0.05 0.00 0.01 0.00 0.00 72.50 68.42 2kfs s THR 9 CO 0.10 0.22 0.86 -0.76 -0.69 0.00 0.00 174.62 174.34 2kfs s LEU 10 N -1.97 3.58 0.42 4.42 1.43 -1.26 -5.04 118.68 120.26 2kfs s LEU 10 Ca 0.42 1.15 -0.23 0.00 -1.03 0.00 0.00 54.13 54.43 2kfs s LEU 10 Cb -0.16 -4.10 -0.09 0.00 0.03 0.00 0.00 46.19 41.86 2kfs s LEU 10 CO 0.20 -0.60 1.05 0.00 0.23 0.00 0.00 176.35 177.23 2kfs s ALA 11 N -2.74 3.04 -1.00 4.21 0.00 -1.26 -4.95 121.76 119.05 2kfs s ALA 11 Ca 0.51 0.69 -0.16 0.00 0.00 0.00 0.00 51.96 52.99 2kfs s ALA 11 Cb -0.10 -3.27 0.16 0.00 0.00 0.00 0.00 23.12 19.91 2kfs s ALA 11 CO 0.43 -0.24 1.16 -0.98 0.00 0.00 0.00 175.76 176.13 2kfs s ARG 12 N -2.64 3.77 -0.14 0.00 3.03 -1.26 -4.95 118.95 116.76 2kfs s ARG 12 Ca 0.60 -2.16 -0.02 0.00 2.03 0.00 0.00 55.73 56.18 2kfs s ARG 12 Cb -0.21 -4.87 -0.02 0.00 -1.03 0.00 0.00 34.95 28.82 2kfs s ARG 12 CO 0.26 -1.68 -0.09 0.14 -1.13 0.00 0.00 175.30 172.81 2kfs s VAL 13 N 1.82 3.42 -0.33 4.99 -7.23 -1.26 -4.45 120.40 117.36 2kfs s VAL 13 Ca 0.33 -0.53 0.16 0.00 -1.81 0.00 0.00 61.98 60.13 2kfs s VAL 13 Cb -0.05 -2.46 0.44 0.00 0.56 0.00 0.00 36.38 34.87 2kfs s VAL 13 CO -0.07 0.51 1.27 0.61 -0.31 0.00 0.00 175.10 177.11 2kfs n GLY 14 N 3.49 1.70 3.55 2.32 0.00 -0.54 -4.80 105.19 110.91 2kfs n GLY 14 Ca -0.18 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 2kfs n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kfs s SER 15 N -2.25 5.72 -0.20 1.61 0.01 -0.94 -3.22 113.70 114.42 2kfs s SER 15 Ca 0.20 -0.06 -0.02 0.00 1.31 0.00 0.00 55.95 57.38 2kfs s SER 15 Cb 0.41 -2.54 -0.00 0.00 0.21 0.00 0.00 66.02 64.09 2kfs s SER 15 CO -0.06 -2.11 -0.09 -0.63 0.41 0.00 0.00 173.24 170.76 2kfs s ILE 16 N 7.40 3.04 1.02 1.44 -1.09 -1.26 -5.01 121.20 126.75 2kfs s ILE 16 Ca 0.51 -0.61 -0.12 0.00 -2.23 0.00 0.00 60.65 58.20 2kfs s ILE 16 Cb -0.10 -2.35 0.20 0.00 -1.58 0.00 0.00 42.46 38.63 2kfs s ILE 16 CO 0.18 0.46 1.08 -2.84 -1.23 0.00 0.00 174.94 172.59 2kfs s PRO 17 N 1.28 0.21 -0.14 2.79 0.02 -1.26 -4.77 135.00 133.13 2kfs s PRO 17 Ca 0.03 0.93 -0.28 0.00 0.02 0.00 0.00 61.00 61.70 2kfs s PRO 17 Cb -0.14 -1.68 -0.01 0.00 0.02 0.00 0.00 34.50 32.69 2kfs s PRO 17 CO -0.04 -2.99 0.93 0.00 -0.33 0.00 0.00 177.00 174.57 2kfs s ALA 18 N -2.69 3.48 0.00 -1.55 0.00 -1.26 -4.79 121.76 114.95 2kfs s ALA 18 Ca 0.66 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.84 2kfs s ALA 18 Cb -0.22 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.55 2kfs s ALA 18 CO 0.60 -0.66 0.00 0.41 0.00 0.00 0.00 175.76 176.12 2kfs n GLY 19 N 3.26 0.53 3.49 0.00 0.00 -1.23 -4.33 105.19 106.91 2kfs n GLY 19 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 2kfs n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kfs s ASP 20 N -1.00 4.77 -0.31 1.61 2.15 -1.26 -1.60 116.67 121.02 2kfs s ASP 20 Ca 0.00 -0.14 -0.28 0.00 0.43 0.00 0.00 52.55 52.56 2kfs s ASP 20 Cb 0.00 -1.78 -0.03 0.00 -0.30 0.00 0.00 42.92 40.82 2kfs s ASP 20 CO 0.00 0.17 1.91 -0.62 -0.17 0.00 0.00 175.17 176.46 2kfs s ASP 21 N 0.38 5.74 0.01 -0.34 2.15 -1.20 -4.72 116.67 118.68 2kfs s ASP 21 Ca -0.04 1.42 0.09 0.00 0.43 0.00 0.00 52.55 54.45 2kfs s ASP 21 Cb -0.14 -2.52 -0.23 0.00 -0.30 0.00 0.00 42.92 39.73 2kfs s ASP 21 CO 0.03 -1.81 0.86 0.58 -0.17 0.00 0.00 175.17 174.66 2kfs h VAL 22 N 6.91 1.13 -4.02 1.11 2.07 -1.94 -3.47 116.25 118.04 2kfs h VAL 22 Ca -0.35 -2.92 -0.46 0.00 0.82 0.00 0.00 66.70 63.79 2kfs h VAL 22 Cb 1.19 2.58 0.10 0.00 -1.52 0.00 0.00 31.29 33.64 2kfs h VAL 22 CO 1.02 0.68 0.32 -1.48 0.02 0.00 0.00 177.57 178.13 2kfs s LEU 23 N -6.40 2.69 0.22 2.57 0.05 -1.26 -5.01 118.68 111.55 2kfs s LEU 23 Ca -0.04 0.48 -0.30 0.00 0.05 0.00 0.00 54.13 54.33 2kfs s LEU 23 Cb 0.08 -2.94 -0.09 0.00 -2.05 0.00 0.00 46.19 41.19 2kfs s LEU 23 CO 0.82 -1.94 1.13 -0.62 -0.55 0.00 0.00 176.35 175.19 2kfs s ASP 24 N -4.62 7.21 0.65 1.48 -1.08 -1.26 -4.91 116.67 114.13 2kfs s ASP 24 Ca 0.64 2.21 0.33 0.00 -0.52 0.00 0.00 52.55 55.21 2kfs s ASP 24 Cb -0.09 -2.61 1.84 0.00 -1.46 0.00 0.00 42.92 40.59 2kfs s ASP 24 CO 0.48 -0.23 2.07 1.55 0.52 0.00 0.00 175.17 179.56 2kfs h PRO 25 N 4.58 0.00 0.00 4.34 0.13 -1.96 -0.74 132.00 138.35 2kfs h PRO 25 Ca -0.45 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 2kfs h PRO 25 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2kfs h PRO 25 CO 0.71 0.00 -0.18 0.22 -0.23 0.00 0.00 178.00 178.52 2kfs h ASP 26 N 0.00 0.00 -3.74 1.44 3.58 -2.05 -3.45 116.42 112.20 2kfs h ASP 26 Ca 0.03 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.95 2kfs h ASP 26 Cb 0.49 0.00 0.08 0.00 1.72 0.00 0.00 39.33 41.62 2kfs h ASP 26 CO -0.00 0.18 0.74 -1.61 -2.88 0.00 0.00 179.24 175.67 2kfs s GLU 27 N -3.47 4.22 -0.45 0.28 0.41 -0.29 -4.87 118.70 114.52 2kfs s GLU 27 Ca 0.02 2.41 -0.27 0.00 -0.41 0.00 0.00 54.97 56.72 2kfs s GLU 27 Cb 0.09 -3.04 -0.03 0.00 -1.78 0.00 0.00 34.13 29.37 2kfs s GLU 27 CO 0.64 -0.41 1.92 -1.25 -0.49 0.00 0.00 175.26 175.66 2kfs s PRO 28 N -1.46 2.90 0.42 0.39 0.04 -1.26 -4.94 135.00 131.08 2kfs s PRO 28 Ca 0.54 1.13 0.08 0.00 0.04 0.00 0.00 61.00 62.79 2kfs s PRO 28 Cb -0.44 -4.33 -0.00 0.00 0.04 0.00 0.00 34.50 29.78 2kfs s PRO 28 CO 0.54 -2.38 0.50 0.95 0.04 0.00 0.00 177.00 176.65 2kfs s THR 29 N 8.46 2.86 0.24 1.26 -4.23 -1.26 -3.23 115.64 119.74 2kfs s THR 29 Ca 0.78 -1.13 0.08 0.00 -1.18 0.00 0.00 61.69 60.24 2kfs s THR 29 Cb -0.18 -2.99 -0.04 0.00 1.34 0.00 0.00 72.50 70.63 2kfs s THR 29 CO 0.28 0.00 0.09 -0.31 -0.54 0.00 0.00 174.62 174.13 2kfs s TYR 30 N -2.40 2.92 0.15 3.99 2.02 0.11 -4.87 117.35 119.27 2kfs s TYR 30 Ca 0.52 -0.15 0.01 0.00 -0.37 0.00 0.00 57.07 57.09 2kfs s TYR 30 Cb -0.07 -1.33 -0.04 0.00 -0.40 0.00 0.00 41.96 40.11 2kfs s TYR 30 CO 0.31 0.56 0.01 0.34 -1.57 0.00 0.00 175.55 175.20 2kfs s ASP 31 N -3.57 0.93 0.11 2.29 -1.08 -1.26 -0.77 116.67 113.32 2kfs s ASP 31 Ca 0.31 -1.16 -0.27 0.00 -0.52 0.00 0.00 52.55 50.91 2kfs s ASP 31 Cb -0.08 0.17 -0.10 0.00 -1.46 0.00 0.00 42.92 41.45 2kfs s ASP 31 CO 0.22 -0.61 1.65 -0.07 0.52 0.00 0.00 175.17 176.89 2kfs h LEU 32 N 2.78 -0.60 -1.42 -1.34 3.38 -1.98 0.12 115.31 116.25 2kfs h LEU 32 Ca -0.36 0.07 0.05 0.00 0.09 0.00 0.00 57.88 57.73 2kfs h LEU 32 Cb 1.20 0.22 -0.04 0.00 0.09 0.00 0.00 40.66 42.13 2kfs h LEU 32 CO 0.62 -0.31 0.44 1.55 0.09 0.00 0.00 178.44 180.83 2kfs h PRO 33 N -0.43 0.70 -0.54 1.13 0.13 -1.98 -0.77 132.00 130.24 2kfs h PRO 33 Ca 0.02 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 64.99 2kfs h PRO 33 Cb 0.43 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 31.39 2kfs h PRO 33 CO -0.10 0.46 -0.13 -0.09 -0.23 0.00 0.00 178.00 177.92 2kfs h ARG 34 N 0.72 1.04 -0.25 0.86 9.65 -1.74 -1.73 114.38 122.93 2kfs h ARG 34 Ca 0.28 -0.39 -0.15 0.00 -1.10 0.00 0.00 59.98 58.62 2kfs h ARG 34 Cb 0.20 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.71 2kfs h ARG 34 CO -0.09 1.09 -0.45 0.28 2.80 0.00 0.00 179.97 183.60 2kfs h VAL 35 N 0.92 1.30 -0.89 0.20 2.07 -0.28 -0.28 116.25 119.28 2kfs h VAL 35 Ca 0.14 -1.64 0.11 0.00 0.82 0.00 0.00 66.70 66.13 2kfs h VAL 35 Cb 0.70 1.59 -0.07 0.00 -1.52 0.00 0.00 31.29 31.99 2kfs h VAL 35 CO 0.05 0.52 0.57 0.00 0.02 0.00 0.00 177.57 178.73 2kfs h ALA 36 N 0.99 1.69 -0.23 1.67 0.00 -0.89 0.13 119.26 122.62 2kfs h ALA 36 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2kfs h ALA 36 Cb 0.98 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2kfs h ALA 36 CO 0.09 0.12 -0.12 0.93 0.00 0.00 0.00 179.25 180.26 2kfs h GLU 37 N 0.83 0.49 -0.25 0.00 5.08 -0.80 -0.03 114.58 119.90 2kfs h GLU 37 Ca 0.42 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 2kfs h GLU 37 Cb 0.49 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2kfs h GLU 37 CO -0.18 0.77 0.06 1.25 -1.00 0.00 0.00 179.01 179.91 2kfs h LEU 38 N 0.20 0.38 0.00 1.33 5.85 0.17 -3.13 115.31 120.11 2kfs h LEU 38 Ca 0.05 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.54 2kfs h LEU 38 Cb 0.62 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.56 2kfs h LEU 38 CO 0.04 0.51 -0.71 0.18 -0.34 0.00 0.00 178.44 178.11 2kfs n LEU 39 N -4.72 0.69 -1.32 2.25 4.77 0.33 -4.95 117.00 114.05 2kfs n LEU 39 Ca -0.03 -0.19 -0.12 0.00 -0.03 0.00 0.00 56.01 55.64 2kfs n LEU 39 Cb 0.17 -0.15 -0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2kfs n LEU 39 CO 0.36 0.17 -0.14 0.61 -1.33 0.00 0.00 177.39 177.06 2kfs n GLY 40 N 1.49 -0.10 3.35 -0.72 0.00 -0.10 -5.02 105.19 104.10 2kfs n GLY 40 Ca 0.05 -0.40 -0.22 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.58 1.89 0.72 1.61 -7.23 -0.75 -5.02 120.40 109.03 2kfs s VAL 41 Ca 0.00 -2.03 -0.14 0.00 -1.81 0.00 0.00 61.98 58.01 2kfs s VAL 41 Cb -0.00 -1.94 0.03 0.00 0.56 0.00 0.00 36.38 35.03 2kfs s VAL 41 CO 0.00 -0.37 1.13 -2.16 -0.31 0.00 0.00 175.10 173.39 2kfs s PRO 42 N -3.03 2.37 0.44 4.82 0.04 -1.26 -4.25 135.00 134.13 2kfs s PRO 42 Ca 0.19 1.43 0.14 0.00 0.04 0.00 0.00 61.00 62.80 2kfs s PRO 42 Cb -0.05 -1.89 1.04 0.00 0.04 0.00 0.00 34.50 33.64 2kfs s PRO 42 CO 0.08 -1.59 2.00 0.28 0.04 0.00 0.00 177.00 177.81 2kfs h VAL 43 N -0.47 0.92 -0.93 -0.36 2.07 -1.93 -0.45 116.25 115.10 2kfs h VAL 43 Ca -0.46 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 66.99 2kfs h VAL 43 Cb 1.26 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 31.47 2kfs h VAL 43 CO 0.51 0.07 0.60 -1.28 0.02 0.00 0.00 177.57 177.49 2kfs h SER 44 N 0.39 0.96 0.00 0.57 0.87 -1.97 0.10 113.55 114.47 2kfs h SER 44 Ca 0.24 0.01 -0.15 0.00 -1.23 0.00 0.00 61.79 60.66 2kfs h SER 44 Cb 0.45 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 2kfs h SER 44 CO -0.06 0.62 -0.49 0.50 -0.53 0.00 0.00 176.83 176.87 2kfs h LYS 45 N 1.10 0.55 -0.51 2.24 3.64 -1.44 -1.60 116.57 120.54 2kfs h LYS 45 Ca 0.40 -0.32 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 2kfs h LYS 45 Cb 0.14 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 2kfs h LYS 45 CO -0.16 0.92 0.29 0.28 -2.27 0.00 0.00 179.45 178.50 2kfs h VAL 46 N 0.44 1.17 -0.62 2.00 2.07 -0.96 -0.86 116.25 119.48 2kfs h VAL 46 Ca 0.02 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 2kfs h VAL 46 Cb 1.01 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 2kfs h VAL 46 CO 0.09 0.18 0.35 0.00 0.02 0.00 0.00 177.57 178.21 2kfs h ALA 47 N 1.13 1.44 -0.53 1.67 0.00 -0.67 -2.11 119.26 120.19 2kfs h ALA 47 Ca 0.18 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2kfs h ALA 47 Cb 0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2kfs h ALA 47 CO -0.03 0.47 0.21 1.96 0.00 0.00 0.00 179.25 181.86 2kfs h GLN 48 N 0.86 0.79 -0.89 0.00 4.20 -0.31 -1.95 115.11 117.82 2kfs h GLN 48 Ca 0.22 -0.14 0.04 0.00 0.06 0.00 0.00 58.65 58.83 2kfs h GLN 48 Cb 0.01 -0.13 -0.05 0.00 0.30 0.00 0.00 27.48 27.60 2kfs h GLN 48 CO -0.04 0.69 0.57 1.96 -0.67 0.00 0.00 178.83 181.35 2kfs h GLN 49 N 0.72 1.07 -0.60 1.46 1.08 -0.53 0.28 115.11 118.59 2kfs h GLN 49 Ca 0.18 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 2kfs h GLN 49 Cb 0.19 -0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 27.35 2kfs h GLN 49 CO -0.01 0.71 0.33 1.25 -0.95 0.00 0.00 178.83 180.15 2kfs h LEU 50 N 1.10 0.76 -1.14 1.46 5.85 -1.27 -0.41 115.31 121.65 2kfs h LEU 50 Ca 0.36 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.94 2kfs h LEU 50 Cb 0.04 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 2kfs h LEU 50 CO -0.13 0.64 -0.22 0.03 -0.34 0.00 0.00 178.44 178.41 2kfs h ARG 51 N 0.82 0.00 0.00 1.25 3.08 -0.21 -2.63 114.38 116.68 2kfs h ARG 51 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 2kfs h ARG 51 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2kfs h ARG 51 CO -0.03 0.22 -0.19 0.39 -1.07 0.00 0.00 179.97 179.29 2kfs n GLU 52 N -3.40 0.16 -2.24 0.04 -0.58 0.79 -1.47 120.64 113.95 2kfs n GLU 52 Ca 0.00 0.10 -0.03 0.00 -0.42 0.00 0.00 57.16 56.81 2kfs n GLU 52 Cb 0.42 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 2kfs n GLU 52 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kfs n GLY 53 N 1.39 0.42 0.01 0.62 0.00 -0.86 -3.63 105.19 103.15 2kfs n GLY 53 Ca 0.05 -0.71 0.11 0.00 0.00 0.00 0.00 46.02 45.48 2kfs n GLY 53 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kfs n HIS 54 N -3.63 0.05 -3.46 1.61 8.25 -0.23 -4.71 115.22 113.09 2kfs n HIS 54 Ca -0.02 0.01 -0.13 0.00 -0.26 0.00 0.00 57.72 57.32 2kfs n HIS 54 Cb 0.52 -0.32 -0.03 0.00 1.12 0.00 0.00 29.99 31.28 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 -3.91 -0.56 0.15 2.41 2.96 -1.22 -4.29 118.68 114.22 2kfs s LEU 55 Ca -0.01 0.20 0.06 0.00 -0.22 0.00 0.00 54.13 54.17 2kfs s LEU 55 Cb 0.15 2.47 -0.04 0.00 0.50 0.00 0.00 46.19 49.27 2kfs s LEU 55 CO 0.88 -0.80 -0.13 0.68 -1.32 0.00 0.00 176.35 175.66 2kfs s VAL 56 N -2.88 1.39 0.08 1.68 -7.23 -1.26 -4.16 120.40 108.01 2kfs s VAL 56 Ca -0.02 -1.93 -0.01 0.00 -1.81 0.00 0.00 61.98 58.21 2kfs s VAL 56 Cb -0.01 -1.74 -0.04 0.00 0.56 0.00 0.00 36.38 35.15 2kfs s VAL 56 CO -0.06 -0.55 0.01 0.00 -0.31 0.00 0.00 175.10 174.20 2kfs s ALA 57 N -2.66 0.58 0.27 1.32 0.00 -1.26 -4.80 121.76 115.22 2kfs s ALA 57 Ca 0.14 -1.26 0.04 0.00 0.00 0.00 0.00 51.96 50.89 2kfs s ALA 57 Cb -0.02 0.48 -0.06 0.00 0.00 0.00 0.00 23.12 23.52 2kfs s ALA 57 CO 0.03 -0.42 -0.00 0.14 0.00 0.00 0.00 175.76 175.51 2kfs s VAL 58 N -3.96 1.26 -0.22 0.00 -7.23 0.10 -3.54 120.40 106.81 2kfs s VAL 58 Ca 0.13 -2.05 -0.05 0.00 -1.81 0.00 0.00 61.98 58.19 2kfs s VAL 58 Cb 0.08 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.49 2kfs s VAL 58 CO -0.06 -0.22 -0.00 -0.60 -0.31 0.00 0.00 175.10 173.91 2kfs s ARG 59 N -3.83 3.50 -0.21 4.82 3.52 -0.63 -0.29 118.95 125.84 2kfs s ARG 59 Ca 0.31 -0.56 0.01 0.00 -0.13 0.00 0.00 55.73 55.36 2kfs s ARG 59 Cb 0.06 -3.11 0.04 0.00 -1.56 0.00 0.00 34.95 30.38 2kfs s ARG 59 CO 0.12 -0.15 -0.12 0.50 -0.81 0.00 0.00 175.30 174.84 2kfs s ARG 60 N 1.41 2.20 -1.73 5.12 3.52 0.84 -3.25 118.95 127.06 2kfs s ARG 60 Ca 0.05 -0.92 0.00 0.00 -0.13 0.00 0.00 55.73 54.73 2kfs s ARG 60 Cb -0.15 -2.51 0.00 0.00 -1.56 0.00 0.00 34.95 30.73 2kfs s ARG 60 CO -0.00 -0.42 0.00 0.00 -0.81 0.00 0.00 175.30 174.07 2kfs n ALA 61 N 4.63 -0.25 0.00 6.12 0.00 -1.26 -0.25 120.51 129.51 2kfs n ALA 61 Ca -0.15 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2kfs n ALA 61 Cb 0.46 -1.79 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 -0.66 1.46 3.87 0.00 0.00 -1.26 -5.06 105.19 103.55 2kfs n GLY 62 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 2kfs n GLY 62 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kfs s GLY 63 N -2.40 2.18 -0.28 -0.02 0.00 0.66 -5.02 107.32 102.44 2kfs s GLY 63 Ca 0.00 -0.24 -0.14 0.00 0.00 0.00 0.00 44.72 44.34 2kfs s GLY 63 CO 0.00 -0.08 0.33 0.14 0.00 0.00 0.00 173.10 173.49 2kfs s VAL 64 N -1.97 5.21 0.10 1.40 1.01 -1.26 -0.11 120.40 124.78 2kfs s VAL 64 Ca 0.49 0.45 0.05 0.00 0.00 0.00 0.00 61.98 62.97 2kfs s VAL 64 Cb -0.11 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2kfs s VAL 64 CO 0.23 0.17 -0.13 0.68 0.00 0.00 0.00 175.10 176.05 2kfs s VAL 65 N 1.99 1.15 -0.06 2.92 -7.23 0.60 -3.62 120.40 116.16 2kfs s VAL 65 Ca 0.13 -1.59 0.03 0.00 -1.81 0.00 0.00 61.98 58.74 2kfs s VAL 65 Cb -0.16 -1.36 0.01 0.00 0.56 0.00 0.00 36.38 35.42 2kfs s VAL 65 CO 0.10 -0.42 -0.16 -0.63 -0.31 0.00 0.00 175.10 173.69 2kfs s ILE 66 N -2.03 1.38 0.40 -0.62 1.01 0.05 -0.72 121.20 120.67 2kfs s ILE 66 Ca 0.05 -0.64 -0.27 0.00 0.00 0.00 0.00 60.65 59.79 2kfs s ILE 66 Cb -0.05 -1.22 -0.10 0.00 0.01 0.00 0.00 42.46 41.10 2kfs s ILE 66 CO 0.02 0.41 1.41 -2.84 0.00 0.00 0.00 174.94 173.93 2kfs s PRO 67 N 0.40 3.98 0.29 2.79 0.02 -1.26 0.04 135.00 141.25 2kfs s PRO 67 Ca -0.12 2.40 0.03 0.00 0.02 0.00 0.00 61.00 63.34 2kfs s PRO 67 Cb -0.15 -2.84 0.71 0.00 0.02 0.00 0.00 34.50 32.24 2kfs s PRO 67 CO 0.04 -0.57 1.71 0.37 -0.33 0.00 0.00 177.00 178.22 2kfs h GLN 68 N 2.78 0.45 0.00 5.54 5.75 -1.88 -1.71 115.11 126.03 2kfs h GLN 68 Ca -0.50 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 57.97 2kfs h GLN 68 Cb 1.25 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.70 2kfs h GLN 68 CO 0.63 0.30 0.00 1.33 -2.65 0.00 0.00 178.83 178.44 2kfs n VAL 69 N -5.00 0.00 1.15 2.39 0.24 -1.26 -1.76 118.33 114.10 2kfs n VAL 69 Ca 0.22 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.64 2kfs n VAL 69 Cb 0.62 -0.42 0.28 0.00 -1.47 0.00 0.00 33.84 32.85 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 -0.78 0.00 -4.86 6.34 3.01 -0.64 -4.83 117.46 115.69 2kfs n PHE 70 Ca 0.10 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.26 2kfs n PHE 70 Cb 0.05 -0.13 -0.15 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 2.26 0.96 1.38 0.08 -0.72 -3.48 117.98 115.84 2kfs s PHE 71 Ca 0.20 -0.41 -0.14 0.00 0.12 0.00 0.00 56.93 56.70 2kfs s PHE 71 Cb 0.19 -1.35 0.17 0.00 -0.57 0.00 0.00 43.02 41.45 2kfs s PHE 71 CO 0.58 0.13 1.18 0.95 -0.10 0.00 0.00 175.22 177.96 2kfs s THR 72 N -0.81 1.94 -0.17 0.64 -4.23 0.86 -4.89 115.64 108.98 2kfs s THR 72 Ca 0.11 0.00 0.29 0.00 -1.18 0.00 0.00 61.69 60.91 2kfs s THR 72 Cb -0.10 -2.79 0.32 0.00 1.34 0.00 0.00 72.50 71.27 2kfs s THR 72 CO 0.02 0.00 1.86 -1.13 -0.54 0.00 0.00 174.62 174.83 2kfs h ASN 73 N -1.65 0.00 0.68 3.99 -0.73 -1.94 -0.23 115.58 115.71 2kfs h ASN 73 Ca -0.48 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.69 2kfs h ASN 73 Cb 1.30 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.89 2kfs h ASN 73 CO 0.53 0.00 0.00 -1.20 -0.37 0.00 0.00 177.43 176.39 2kfs n SER 74 N -2.66 0.00 0.00 1.15 7.64 -1.26 -4.90 113.62 113.59 2kfs n SER 74 Ca 0.01 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.92 2kfs n SER 74 Cb 0.26 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 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 1.33 1.78 3.92 0.23 0.00 -0.10 -5.04 105.19 107.31 2kfs n GLY 75 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.75 3.55 0.40 1.61 -1.52 -1.26 -4.68 119.66 117.01 2kfs s GLN 76 Ca 0.00 -0.25 -0.27 0.00 -1.95 0.00 0.00 55.36 52.90 2kfs s GLN 76 Cb 0.00 -2.77 -0.09 0.00 -0.22 0.00 0.00 33.01 29.93 2kfs s GLN 76 CO 0.00 0.33 1.38 0.08 -0.25 0.00 0.00 175.29 176.83 2kfs s VAL 77 N -1.96 2.36 0.28 1.09 1.01 -1.26 -0.10 120.40 121.82 2kfs s VAL 77 Ca 0.40 0.33 -0.30 0.00 0.00 0.00 0.00 61.98 62.41 2kfs s VAL 77 Cb -0.11 -3.20 -0.12 0.00 0.00 0.00 0.00 36.38 32.95 2kfs s VAL 77 CO 0.30 0.06 1.63 0.52 0.00 0.00 0.00 175.10 177.61 2kfs n VAL 78 N 0.19 0.83 -0.25 2.92 0.31 -1.23 -4.79 118.33 116.32 2kfs n VAL 78 Ca 0.03 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 2kfs n VAL 78 Cb 0.42 -1.99 0.13 0.00 -0.91 0.00 0.00 33.84 31.49 2kfs n VAL 78 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2kfs h LYS 79 N 5.19 0.68 -0.16 5.55 1.63 -1.95 -1.24 116.57 126.27 2kfs h LYS 79 Ca -0.46 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.30 2kfs h LYS 79 Cb 1.22 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.69 2kfs h LYS 79 CO 0.83 0.45 0.00 0.45 -3.45 0.00 0.00 179.45 177.72 2kfs n SER 80 N -4.79 1.95 0.00 4.20 2.88 -1.26 -4.30 113.62 112.30 2kfs n SER 80 Ca 0.11 -1.73 -0.13 0.00 -1.33 0.00 0.00 58.87 55.79 2kfs n SER 80 Cb 0.23 -0.10 -0.09 0.00 -0.75 0.00 0.00 64.21 63.50 2kfs n SER 80 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2kfs h LEU 81 N 2.68 0.01 -1.99 2.46 6.46 -1.59 -2.17 115.31 121.17 2kfs h LEU 81 Ca 0.00 -0.32 0.09 0.00 -0.12 0.00 0.00 57.88 57.52 2kfs h LEU 81 Cb 0.58 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.50 2kfs h LEU 81 CO 0.00 0.33 0.21 -0.65 -0.62 0.00 0.00 178.44 177.71 2kfs h PRO 82 N -0.31 0.01 -0.51 5.25 0.11 -1.75 -1.49 132.00 133.31 2kfs h PRO 82 Ca 0.00 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.05 2kfs h PRO 82 Cb 0.33 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.41 2kfs h PRO 82 CO 0.00 0.00 0.08 0.78 -0.21 0.00 0.00 178.00 178.65 2kfs h GLY 83 N 0.01 0.91 1.10 -0.55 0.00 -1.73 -0.20 103.07 102.61 2kfs h GLY 83 Ca 0.14 -0.61 -0.13 0.00 0.00 0.00 0.00 47.33 46.73 2kfs h GLY 83 CO -0.00 0.57 -0.19 0.17 0.00 0.00 0.00 176.54 177.08 2kfs h LEU 84 N 0.72 1.02 -1.31 3.11 8.10 -0.66 -2.56 115.31 123.74 2kfs h LEU 84 Ca 0.15 -0.39 -0.02 0.00 0.11 0.00 0.00 57.88 57.74 2kfs h LEU 84 Cb 0.41 -0.28 -0.03 0.00 -0.44 0.00 0.00 40.66 40.32 2kfs h LEU 84 CO 0.01 1.18 0.26 -0.07 -4.11 0.00 0.00 178.44 175.71 2kfs h LEU 85 N 0.86 0.66 -0.08 0.17 3.38 -1.11 -2.53 115.31 116.65 2kfs h LEU 85 Ca 0.12 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2kfs h LEU 85 Cb 0.77 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 2kfs h LEU 85 CO 0.06 0.56 0.05 0.74 0.09 0.00 0.00 178.44 179.94 2kfs h THR 86 N 0.74 1.08 -0.48 0.22 2.02 -0.63 0.19 112.91 116.05 2kfs h THR 86 Ca 0.19 -0.21 -0.05 0.00 0.77 0.00 0.00 66.41 67.11 2kfs h THR 86 Cb 0.07 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 2kfs h THR 86 CO -0.03 0.07 0.12 -0.29 0.37 0.00 0.00 175.52 175.76 2kfs h ILE 87 N 0.05 1.24 -0.33 3.11 -0.00 -1.30 -1.64 117.51 118.64 2kfs h ILE 87 Ca 0.03 -0.83 -0.10 0.00 -0.00 0.00 0.00 64.86 63.96 2kfs h ILE 87 Cb 0.07 0.86 -0.01 0.00 -0.00 0.00 0.00 36.82 37.73 2kfs h ILE 87 CO -0.00 0.30 -0.23 -0.07 -0.00 0.00 0.00 178.15 178.14 2kfs h LEU 88 N 0.65 0.64 -0.45 2.19 -0.00 -1.35 -0.45 115.31 116.55 2kfs h LEU 88 Ca 0.15 -0.22 -0.00 0.00 -0.00 0.00 0.00 57.88 57.81 2kfs h LEU 88 Cb 0.32 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 40.79 2kfs h LEU 88 CO 0.00 0.86 0.26 -0.74 -0.00 0.00 0.00 178.44 178.82 2kfs h HIS 89 N 0.56 0.60 0.00 1.13 2.76 -0.29 0.50 115.15 120.40 2kfs h HIS 89 Ca 0.08 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.17 2kfs h HIS 89 Cb 0.70 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.45 2kfs h HIS 89 CO 0.03 0.43 -0.36 0.22 -1.30 0.00 0.00 177.93 176.95 2kfs h ASP 90 N 0.59 0.00 0.90 3.26 3.58 -1.19 -2.59 116.42 120.97 2kfs h ASP 90 Ca 0.16 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.61 2kfs h ASP 90 Cb 0.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.07 2kfs h ASP 90 CO -0.03 0.36 -0.01 0.61 -2.88 0.00 0.00 179.24 177.29 2kfs n GLY 91 N 0.29 -1.45 1.43 -0.78 0.00 -0.19 -4.92 105.19 99.57 2kfs n GLY 91 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 1.46 0.82 3.75 -0.02 0.00 -0.23 -5.04 105.19 105.92 2kfs n GLY 92 Ca 0.08 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.04 3.16 0.45 1.61 1.51 -0.00 -5.03 117.35 117.01 2kfs s TYR 93 Ca 0.00 0.10 0.08 0.00 -1.01 0.00 0.00 57.07 56.24 2kfs s TYR 93 Cb 0.00 -1.65 0.02 0.00 -0.11 0.00 0.00 41.96 40.22 2kfs s TYR 93 CO 0.00 0.51 0.62 -0.98 -1.11 0.00 0.00 175.55 174.59 2kfs s ARG 94 N -2.04 2.73 0.21 -0.62 1.70 -1.26 -4.42 118.95 115.24 2kfs s ARG 94 Ca 0.25 -1.28 -0.09 0.00 -0.47 0.00 0.00 55.73 54.14 2kfs s ARG 94 Cb -0.12 -2.73 0.28 0.00 -0.57 0.00 0.00 34.95 31.82 2kfs s ARG 94 CO 0.17 -0.39 1.75 0.38 -1.08 0.00 0.00 175.30 176.13 2kfs h ASP 95 N 0.53 0.25 -0.67 -2.89 2.03 -1.92 -0.82 116.42 112.94 2kfs h ASP 95 Ca -0.38 0.07 -0.06 0.00 -0.73 0.00 0.00 57.03 55.93 2kfs h ASP 95 Cb 1.28 0.05 -0.03 0.00 -0.83 0.00 0.00 39.33 39.80 2kfs h ASP 95 CO 0.45 0.15 0.19 0.74 -1.03 0.00 0.00 179.24 179.74 2kfs h THR 96 N 0.43 1.25 -0.46 1.15 2.02 -1.90 -2.20 112.91 113.20 2kfs h THR 96 Ca 0.31 -0.90 -0.09 0.00 0.77 0.00 0.00 66.41 66.51 2kfs h THR 96 Cb 0.37 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 2kfs h THR 96 CO -0.30 0.34 -0.07 -0.33 0.37 0.00 0.00 175.52 175.53 2kfs h GLU 97 N 0.98 0.81 -0.04 6.66 5.08 -1.59 -0.46 114.58 126.01 2kfs h GLU 97 Ca 0.21 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2kfs h GLU 97 Cb 0.32 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 2kfs h GLU 97 CO -0.00 0.86 0.02 0.82 -1.00 0.00 0.00 179.01 179.71 2kfs h ILE 98 N 0.74 1.07 0.00 3.13 1.08 -0.67 -2.21 117.51 120.65 2kfs h ILE 98 Ca 0.13 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.40 2kfs h ILE 98 Cb 0.55 1.13 0.00 0.00 -3.07 0.00 0.00 36.82 35.43 2kfs h ILE 98 CO 0.03 0.06 0.00 0.00 -0.69 0.00 0.00 178.15 177.55 2kfs h MET 99 N -0.01 0.00 0.70 2.37 -0.00 -1.28 -2.82 114.93 113.89 2kfs h MET 99 Ca 0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.68 2kfs h MET 99 Cb 0.07 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.68 2kfs h MET 99 CO -0.00 0.00 -0.35 -0.09 -0.00 0.00 0.00 176.91 176.47 2kfs h ARG 100 N 0.00 -0.92 -0.11 -0.10 2.43 -0.42 -1.47 114.38 113.79 2kfs h ARG 100 Ca 0.00 0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.11 2kfs h ARG 100 Cb 0.61 0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 2kfs h ARG 100 CO 0.00 -0.61 -0.47 0.11 -1.51 0.00 0.00 179.97 177.49 2kfs h TRP 101 N -0.95 0.34 -0.98 2.20 5.08 -1.63 -3.19 115.95 116.81 2kfs h TRP 101 Ca -0.10 -0.10 0.03 0.00 1.08 0.00 0.00 58.89 59.80 2kfs h TRP 101 Cb 0.73 -0.07 -0.06 0.00 -3.00 0.00 0.00 29.16 26.77 2kfs h TRP 101 CO 0.05 0.70 0.64 -0.07 -1.28 0.00 0.00 178.44 178.49 2kfs h LEU 102 N 0.23 1.08 0.00 0.11 3.38 -1.39 -2.23 115.31 116.48 2kfs h LEU 102 Ca 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kfs h LEU 102 Cb 0.92 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2kfs h LEU 102 CO 0.08 0.75 -0.34 0.49 0.09 0.00 0.00 178.44 179.50 2kfs n PHE 103 N -4.45 0.15 -3.02 1.13 3.01 -0.56 -3.29 117.46 110.43 2kfs n PHE 103 Ca 0.13 0.04 -0.41 0.00 1.01 0.00 0.00 57.45 58.22 2kfs n PHE 103 Cb 0.08 -0.44 -0.05 0.00 -0.01 0.00 0.00 39.48 39.06 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 -3.03 4.93 0.20 4.37 2.01 -0.84 -4.89 115.64 118.38 2kfs s THR 104 Ca 0.11 1.33 -0.33 0.00 0.31 0.00 0.00 61.69 63.12 2kfs s THR 104 Cb 0.17 -4.02 -0.13 0.00 0.01 0.00 0.00 72.50 68.54 2kfs s THR 104 CO 0.65 0.01 1.68 -2.65 -0.69 0.00 0.00 174.62 173.62 2kfs n PRO 105 N 5.61 2.59 -2.66 4.92 -0.02 -1.26 -4.37 135.00 139.80 2kfs n PRO 105 Ca 0.02 0.93 -0.43 0.00 -2.02 0.00 0.00 63.50 62.00 2kfs n PRO 105 Cb 0.49 -2.76 -0.02 0.00 -0.02 0.00 0.00 33.50 31.19 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 1.08 7.17 0.45 2.55 -1.08 0.61 -4.84 116.67 122.60 2kfs s ASP 106 Ca 0.76 1.48 0.31 0.00 -0.52 0.00 0.00 52.55 54.57 2kfs s ASP 106 Cb -0.56 -2.55 1.64 0.00 -1.46 0.00 0.00 42.92 40.00 2kfs s ASP 106 CO 0.34 -0.56 1.94 1.55 0.52 0.00 0.00 175.17 178.96 2kfs h PRO 107 N 7.30 0.00 -0.02 4.34 0.13 -1.92 -2.45 132.00 139.38 2kfs h PRO 107 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2kfs h PRO 107 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2kfs h PRO 107 CO 0.92 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 179.14 2kfs n SER 108 N -2.59 1.66 -4.72 1.44 2.88 -1.26 -4.64 113.62 106.40 2kfs n SER 108 Ca -0.02 -1.59 -0.35 0.00 -1.33 0.00 0.00 58.87 55.58 2kfs n SER 108 Cb 0.06 -0.01 -0.08 0.00 -0.75 0.00 0.00 64.21 63.43 2kfs n SER 108 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2kfs s LEU 109 N -0.61 4.14 -0.16 2.46 2.96 -0.92 -4.94 118.68 121.61 2kfs s LEU 109 Ca 0.02 0.21 -0.01 0.00 -0.22 0.00 0.00 54.13 54.13 2kfs s LEU 109 Cb 0.01 -2.06 0.04 0.00 0.50 0.00 0.00 46.19 44.68 2kfs s LEU 109 CO 0.01 0.19 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.33 2kfs s THR 110 N 0.27 0.84 0.15 3.68 2.01 -1.26 -0.29 115.64 121.04 2kfs s THR 110 Ca 0.07 -0.48 0.05 0.00 0.31 0.00 0.00 61.69 61.65 2kfs s THR 110 Cb -0.11 -1.09 -0.04 0.00 0.01 0.00 0.00 72.50 71.26 2kfs s THR 110 CO -0.01 0.07 -0.11 0.27 -0.69 0.00 0.00 174.62 174.14 2kfs s ILE 111 N 1.75 1.25 -0.14 1.82 -5.25 -0.26 -4.82 121.20 115.54 2kfs s ILE 111 Ca 0.01 -1.98 0.01 0.00 -0.99 0.00 0.00 60.65 57.70 2kfs s ILE 111 Cb -0.15 -1.77 -0.00 0.00 2.95 0.00 0.00 42.46 43.48 2kfs s ILE 111 CO -0.07 -0.66 -0.17 0.28 -1.79 0.00 0.00 174.94 172.53 2kfs s THR 112 N -3.00 2.58 0.41 8.37 -1.32 -1.26 0.20 115.64 121.62 2kfs s THR 112 Ca 0.15 -0.81 0.08 0.00 -1.21 0.00 0.00 61.69 59.89 2kfs s THR 112 Cb 0.00 -2.07 -0.03 0.00 -1.51 0.00 0.00 72.50 68.90 2kfs s THR 112 CO 0.02 0.53 0.31 0.00 -2.21 0.00 0.00 174.62 173.27 2kfs s ARG 113 N 0.65 2.46 -0.66 7.08 1.70 -0.87 -4.66 118.95 124.65 2kfs s ARG 113 Ca -0.09 -1.60 -0.27 0.00 -0.47 0.00 0.00 55.73 53.31 2kfs s ARG 113 Cb -0.16 -2.28 -0.00 0.00 -0.57 0.00 0.00 34.95 31.94 2kfs s ARG 113 CO 0.02 -0.14 1.66 0.34 -1.08 0.00 0.00 175.30 176.10 2kfs s ASP 114 N -4.05 5.58 0.00 -2.89 -1.08 -1.25 -1.54 116.67 111.43 2kfs s ASP 114 Ca 0.46 0.06 0.00 0.00 -0.52 0.00 0.00 52.55 52.54 2kfs s ASP 114 Cb -0.02 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.90 2kfs s ASP 114 CO 0.26 -2.19 0.00 0.61 0.52 0.00 0.00 175.17 174.37 2kfs n GLY 115 N 5.59 1.24 2.76 2.66 0.00 -1.26 -5.04 105.19 111.14 2kfs n GLY 115 Ca 0.14 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.69 1.41 0.48 1.61 0.01 -0.59 -5.00 113.70 110.93 2kfs s SER 116 Ca 0.00 -0.31 0.27 0.00 1.31 0.00 0.00 55.95 57.22 2kfs s SER 116 Cb 0.00 0.44 0.86 0.00 0.21 0.00 0.00 66.02 67.53 2kfs s SER 116 CO 0.00 -0.34 1.80 0.08 0.41 0.00 0.00 173.24 175.19 2kfs h ARG 117 N 8.30 0.00 -6.89 12.44 0.11 -1.96 -2.31 114.38 124.08 2kfs h ARG 117 Ca -0.17 0.00 -0.48 0.00 0.10 0.00 0.00 59.98 59.43 2kfs h ARG 117 Cb 1.13 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.21 2kfs h ARG 117 CO 0.30 0.07 0.39 -0.51 0.10 0.00 0.00 179.97 180.31 2kfs s ASP 118 N -6.00 7.17 -0.16 0.08 1.11 -1.26 -4.88 116.67 112.72 2kfs s ASP 118 Ca 0.03 1.98 -0.24 0.00 0.18 0.00 0.00 52.55 54.50 2kfs s ASP 118 Cb 0.08 -2.59 -0.02 0.00 1.07 0.00 0.00 42.92 41.46 2kfs s ASP 118 CO 0.61 -0.20 0.76 0.00 1.18 0.00 0.00 175.17 177.53 2kfs s ALA 119 N -1.52 3.50 -0.23 5.23 0.00 -1.26 -4.44 121.76 123.04 2kfs s ALA 119 Ca 0.51 -0.03 -0.13 0.00 0.00 0.00 0.00 51.96 52.30 2kfs s ALA 119 Cb -0.22 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 2kfs s ALA 119 CO 0.28 -0.56 0.28 0.08 0.00 0.00 0.00 175.76 175.85 2kfs s VAL 120 N 1.91 5.28 0.22 0.00 1.01 0.13 -4.79 120.40 124.16 2kfs s VAL 120 Ca 0.36 0.44 -0.15 0.00 0.00 0.00 0.00 61.98 62.62 2kfs s VAL 120 Cb -0.16 -3.61 -0.08 0.00 0.00 0.00 0.00 36.38 32.52 2kfs s VAL 120 CO 0.13 0.29 0.64 -0.44 0.00 0.00 0.00 175.10 175.71 2kfs s SER 121 N 1.11 6.83 -0.83 3.32 0.01 -1.26 -1.10 113.70 121.78 2kfs s SER 121 Ca 0.13 1.18 -0.03 0.00 1.31 0.00 0.00 55.95 58.54 2kfs s SER 121 Cb -0.14 -2.33 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 2kfs s SER 121 CO 0.07 -0.02 0.72 0.59 0.41 0.00 0.00 173.24 175.00 2kfs n ASN 122 N 0.33 -4.70 -4.82 2.44 4.13 0.61 -4.97 115.26 108.28 2kfs n ASN 122 Ca -0.01 -0.53 -0.22 0.00 1.68 0.00 0.00 54.58 55.50 2kfs n ASN 122 Cb 0.52 -4.09 -0.04 0.00 -1.54 0.00 0.00 39.78 34.63 2kfs n ASN 122 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kfs s ALA 123 N -3.29 3.58 0.37 5.41 0.00 -1.16 -4.63 121.76 122.04 2kfs s ALA 123 Ca 0.27 -1.42 -0.22 0.00 0.00 0.00 0.00 51.96 50.59 2kfs s ALA 123 Cb -0.03 -1.30 -0.10 0.00 0.00 0.00 0.00 23.12 21.69 2kfs s ALA 123 CO 0.56 0.26 0.91 1.03 0.00 0.00 0.00 175.76 178.52 2kfs s ARG 124 N -3.83 4.32 0.55 0.00 0.52 -1.26 -0.29 118.95 118.96 2kfs s ARG 124 Ca 0.33 1.12 0.24 0.00 -0.52 0.00 0.00 55.73 56.90 2kfs s ARG 124 Cb -0.08 -2.45 1.48 0.00 0.52 0.00 0.00 34.95 34.42 2kfs s ARG 124 CO 0.25 0.12 2.08 -1.35 0.02 0.00 0.00 175.30 176.42 2kfs h PRO 125 N 2.44 0.00 -0.42 3.54 0.11 -1.75 -0.30 132.00 135.61 2kfs h PRO 125 Ca -0.48 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 2kfs h PRO 125 Cb 1.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 2kfs h PRO 125 CO 0.63 0.00 0.06 0.28 -0.21 0.00 0.00 178.00 178.76 2kfs h VAL 126 N 0.00 1.20 -0.33 3.15 2.07 -1.91 -0.71 116.25 119.73 2kfs h VAL 126 Ca 0.12 -0.77 -0.14 0.00 0.82 0.00 0.00 66.70 66.73 2kfs h VAL 126 Cb 0.52 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2kfs h VAL 126 CO -0.00 0.27 -0.33 -0.78 0.02 0.00 0.00 177.57 176.75 2kfs h ASP 127 N 0.62 0.85 -0.26 0.57 1.82 -1.38 -3.05 116.42 115.60 2kfs h ASP 127 Ca 0.14 -0.47 -0.05 0.00 -0.39 0.00 0.00 57.03 56.25 2kfs h ASP 127 Cb 0.30 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 40.05 2kfs h ASP 127 CO 0.00 1.15 0.01 0.00 -1.61 0.00 0.00 179.24 178.79 2kfs h ALA 128 N 0.73 1.33 -0.12 -0.78 0.00 -0.99 -1.28 119.26 118.16 2kfs h ALA 128 Ca 0.05 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 2kfs h ALA 128 Cb 0.91 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2kfs h ALA 128 CO 0.08 0.46 -0.46 1.37 0.00 0.00 0.00 179.25 180.70 2kfs h LEU 129 N 0.54 0.30 -0.18 0.00 8.10 -1.08 -0.24 115.31 122.76 2kfs h LEU 129 Ca 0.12 -0.14 0.00 0.00 0.11 0.00 0.00 57.88 57.97 2kfs h LEU 129 Cb 0.34 -0.08 0.00 0.00 -0.44 0.00 0.00 40.66 40.48 2kfs h LEU 129 CO 0.01 0.72 0.00 1.41 -4.11 0.00 0.00 178.44 176.47 2kfs n HIS 130 N -3.99 0.68 1.24 0.17 8.25 -0.91 -2.01 115.22 118.65 2kfs n HIS 130 Ca -0.02 0.22 0.11 0.00 -0.26 0.00 0.00 57.72 57.77 2kfs n HIS 130 Cb 0.52 -0.86 0.39 0.00 1.12 0.00 0.00 29.99 31.16 2kfs n HIS 130 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2kfs n ALA 131 N -1.72 2.52 -2.08 -1.41 0.00 -0.53 -3.97 120.51 113.33 2kfs n ALA 131 Ca 0.05 -0.52 -0.17 0.00 0.00 0.00 0.00 53.44 52.80 2kfs n ALA 131 Cb 0.35 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.68 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 0.33 -0.57 -1.25 0.00 -0.00 -0.85 -4.83 115.22 108.04 2kfs n HIS 132 Ca 0.16 0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.38 2kfs n HIS 132 Cb 0.34 -3.24 0.21 0.00 -0.12 0.00 0.00 29.99 27.18 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 -2.58 2.08 -0.00 1.57 6.02 -0.20 -4.69 117.38 119.58 2kfs n GLN 133 Ca -0.19 -2.98 0.23 0.00 -0.01 0.00 0.00 57.00 54.04 2kfs n GLN 133 Cb 0.62 -1.76 0.72 0.00 1.02 0.00 0.00 30.24 30.85 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 1.09 2.41 -0.77 -1.58 0.00 -1.76 -0.51 119.26 118.14 2kfs h ALA 134 Ca 0.09 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.05 2kfs h ALA 134 Cb 1.42 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.19 2kfs h ALA 134 CO 0.23 -0.78 0.45 0.00 0.00 0.00 0.00 179.25 179.15 2kfs h ARG 135 N 0.00 0.78 -0.63 0.00 3.08 -1.92 0.36 114.38 116.06 2kfs h ARG 135 Ca 0.27 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.19 2kfs h ARG 135 Cb 1.25 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 2kfs h ARG 135 CO -0.00 0.52 0.05 0.93 -1.07 0.00 0.00 179.97 180.39 2kfs h GLU 136 N 0.80 1.07 -0.29 0.04 4.39 -1.48 -1.01 114.58 118.10 2kfs h GLU 136 Ca 0.35 -0.31 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 2kfs h GLU 136 Cb 0.24 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 2kfs h GLU 136 CO -0.20 1.01 0.18 0.28 -1.16 0.00 0.00 179.01 179.12 2kfs h VAL 137 N 0.99 1.10 -0.79 3.13 2.07 -1.20 0.16 116.25 121.70 2kfs h VAL 137 Ca 0.19 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 2kfs h VAL 137 Cb 0.50 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 2kfs h VAL 137 CO 0.02 0.09 0.48 0.58 0.02 0.00 0.00 177.57 178.76 2kfs h VAL 138 N 0.38 1.22 -0.76 2.57 2.07 -0.71 0.11 116.25 121.13 2kfs h VAL 138 Ca 0.10 -0.48 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 2kfs h VAL 138 Cb -0.00 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 29.85 2kfs h VAL 138 CO -0.02 0.23 0.29 -0.09 0.02 0.00 0.00 177.57 178.00 2kfs h ARG 139 N 1.08 1.15 -0.34 1.57 2.43 -0.49 0.55 114.38 120.33 2kfs h ARG 139 Ca 0.28 -0.22 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 2kfs h ARG 139 Cb -0.04 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 2kfs h ARG 139 CO -0.05 0.95 -0.14 0.00 -1.51 0.00 0.00 179.97 179.21 2kfs h ARG 140 N 1.11 0.60 -0.75 0.20 2.47 -0.07 -1.13 114.38 116.81 2kfs h ARG 140 Ca 0.25 -0.19 -0.03 0.00 -1.26 0.00 0.00 59.98 58.75 2kfs h ARG 140 Cb 0.24 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.47 2kfs h ARG 140 CO -0.02 0.72 0.35 0.00 0.56 0.00 0.00 179.97 181.59 2kfs h ALA 141 N 1.31 0.96 -0.78 0.04 0.00 -0.19 -1.48 119.26 119.12 2kfs h ALA 141 Ca 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2kfs h ALA 141 Cb 0.56 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2kfs h ALA 141 CO 0.04 0.53 0.41 1.96 0.00 0.00 0.00 179.25 182.19 2kfs h GLN 142 N 1.05 1.09 0.00 0.00 4.20 -0.23 0.11 115.11 121.33 2kfs h GLN 142 Ca 0.26 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 2kfs h GLN 142 Cb 0.13 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 2kfs h GLN 142 CO -0.03 0.81 -0.11 0.00 -0.67 0.00 0.00 178.83 178.83 2kfs h ALA 143 N 1.36 1.10 0.00 3.87 0.00 -0.46 0.30 119.26 125.43 2kfs h ALA 143 Ca 0.27 -0.10 -0.27 0.00 0.00 0.00 0.00 54.91 54.81 2kfs h ALA 143 Cb 0.05 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 2kfs h ALA 143 CO -0.04 0.14 -1.61 0.52 0.00 0.00 0.00 179.25 178.26 2kfs h MET 144 N 0.00 0.00 0.10 0.00 2.86 -0.28 -3.38 114.93 114.22 2kfs h MET 144 Ca -0.00 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.42 2kfs h MET 144 Cb 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.14 2kfs h MET 144 CO 0.01 0.53 -1.11 0.00 1.06 0.00 0.00 176.91 177.40 2kfs h ALA 145 N 1.03 0.10 -0.02 6.32 0.00 -0.35 -3.51 119.26 122.83 2kfs h ALA 145 Ca -0.25 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 53.72 2kfs h ALA 145 Cb 1.95 0.36 0.00 0.00 0.00 0.00 0.00 17.79 20.11 2kfs h ALA 145 CO 0.08 0.62 0.00 0.66 0.00 0.00 0.00 179.25 180.61