#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfs s PRO 2 N 0.00 3.05 -0.87 2.12 0.04 -1.26 -4.92 135.00 133.16 2kfs s PRO 2 Ca 0.00 -0.29 -0.25 0.00 0.04 0.00 0.00 61.00 60.50 2kfs s PRO 2 Cb 0.00 -4.70 0.04 0.00 0.04 0.00 0.00 34.50 29.88 2kfs s PRO 2 CO 0.00 -2.52 1.35 0.20 0.04 0.00 0.00 177.00 176.07 2kfs s GLY 3 N 5.83 1.08 0.22 0.56 0.00 -1.26 -4.98 107.32 108.78 2kfs s GLY 3 Ca 0.52 -1.81 -0.30 0.00 0.00 0.00 0.00 44.72 43.13 2kfs s GLY 3 CO 0.07 2.65 1.18 0.50 0.00 0.00 0.00 173.10 177.49 2kfs s ARG 4 N 5.31 4.52 -0.19 2.90 0.52 -1.26 -5.00 118.95 125.75 2kfs s ARG 4 Ca 0.40 1.87 -0.24 0.00 -0.52 0.00 0.00 55.73 57.24 2kfs s ARG 4 Cb -0.04 -3.22 -0.01 0.00 0.52 0.00 0.00 34.95 32.19 2kfs s ARG 4 CO 0.03 -0.01 0.80 0.00 0.02 0.00 0.00 175.30 176.14 2kfs s ALA 5 N -0.41 3.55 0.52 2.13 0.00 -1.26 -5.03 121.76 121.25 2kfs s ALA 5 Ca 0.50 -0.04 -0.20 0.00 0.00 0.00 0.00 51.96 52.22 2kfs s ALA 5 Cb -0.33 -3.20 -0.06 0.00 0.00 0.00 0.00 23.12 19.53 2kfs s ALA 5 CO 0.39 -0.69 1.15 -1.25 0.00 0.00 0.00 175.76 175.35 2kfs s PRO 6 N 2.25 3.46 -0.17 0.00 0.04 -1.26 -4.90 135.00 134.41 2kfs s PRO 6 Ca 0.36 1.68 -0.06 0.00 0.04 0.00 0.00 61.00 63.03 2kfs s PRO 6 Cb -0.16 -2.13 -0.17 0.00 0.04 0.00 0.00 34.50 32.08 2kfs s PRO 6 CO 0.11 -0.78 3.38 0.41 0.04 0.00 0.00 177.00 180.16 2kfs n GLY 7 N 0.27 3.41 0.00 0.56 0.00 -1.26 -4.59 105.19 103.57 2kfs n GLY 7 Ca 0.10 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.72 2kfs n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kfs n SER 8 N 2.09 0.00 -4.72 1.61 2.88 -1.26 -5.13 113.62 109.09 2kfs n SER 8 Ca 0.46 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.58 2kfs n SER 8 Cb 0.80 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.23 2kfs n SER 8 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2kfs s THR 9 N -0.49 3.05 0.51 2.46 2.01 -1.26 -4.94 115.64 116.97 2kfs s THR 9 Ca 0.00 0.77 -0.23 0.00 0.31 0.00 0.00 61.69 62.54 2kfs s THR 9 Cb 0.00 -3.49 -0.06 0.00 0.01 0.00 0.00 72.50 68.95 2kfs s THR 9 CO 0.00 0.07 1.38 -0.76 -0.69 0.00 0.00 174.62 174.62 2kfs s LEU 10 N 0.90 3.96 0.17 4.42 1.43 -1.26 -4.98 118.68 123.32 2kfs s LEU 10 Ca 0.65 2.82 -0.15 0.00 -1.03 0.00 0.00 54.13 56.42 2kfs s LEU 10 Cb -0.39 -4.14 -0.07 0.00 0.03 0.00 0.00 46.19 41.62 2kfs s LEU 10 CO 0.32 -1.40 0.60 0.00 0.23 0.00 0.00 176.35 176.10 2kfs s ALA 11 N -1.27 3.53 -0.66 4.21 0.00 -1.26 -5.02 121.76 121.29 2kfs s ALA 11 Ca 0.67 -0.06 -0.09 0.00 0.00 0.00 0.00 51.96 52.48 2kfs s ALA 11 Cb -0.42 -2.60 0.17 0.00 0.00 0.00 0.00 23.12 20.28 2kfs s ALA 11 CO 0.51 0.42 0.54 -0.98 0.00 0.00 0.00 175.76 176.25 2kfs s ARG 12 N -2.02 2.95 -1.07 0.00 1.70 -1.26 -4.96 118.95 114.29 2kfs s ARG 12 Ca 0.40 -2.27 -0.09 0.00 -0.47 0.00 0.00 55.73 53.30 2kfs s ARG 12 Cb -0.15 -4.07 0.27 0.00 -0.57 0.00 0.00 34.95 30.43 2kfs s ARG 12 CO 0.20 -1.23 1.05 0.08 -1.08 0.00 0.00 175.30 174.32 2kfs s VAL 13 N 0.47 5.81 0.00 4.99 1.01 -1.26 -4.96 120.40 126.46 2kfs s VAL 13 Ca 0.14 -3.40 0.00 0.00 0.00 0.00 0.00 61.98 58.71 2kfs s VAL 13 Cb -0.19 -4.50 0.00 0.00 0.00 0.00 0.00 36.38 31.69 2kfs s VAL 13 CO -0.04 -1.16 0.00 0.61 0.00 0.00 0.00 175.10 174.50 2kfs n GLY 14 N 2.75 6.21 3.65 4.51 0.00 -1.25 -4.82 105.19 116.24 2kfs n GLY 14 Ca 0.23 -1.82 -0.49 0.00 0.00 0.00 0.00 46.02 43.94 2kfs n GLY 14 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kfs n SER 15 N -0.38 3.20 -4.73 1.61 7.64 -1.22 -4.64 113.62 115.11 2kfs n SER 15 Ca 0.00 0.85 -0.41 0.00 1.01 0.00 0.00 58.87 60.32 2kfs n SER 15 Cb 0.00 -1.35 -0.03 0.00 -1.01 0.00 0.00 64.21 61.81 2kfs n SER 15 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2kfs s ILE 16 N 4.79 3.69 0.87 0.44 1.09 -1.26 -5.03 121.20 125.79 2kfs s ILE 16 Ca 0.96 1.38 -0.12 0.00 -1.10 0.00 0.00 60.65 61.77 2kfs s ILE 16 Cb -0.71 -3.88 0.11 0.00 -1.06 0.00 0.00 42.46 36.92 2kfs s ILE 16 CO 0.51 0.20 1.09 -2.16 -0.10 0.00 0.00 174.94 174.48 2kfs s PRO 17 N 0.03 1.46 -0.15 2.79 0.04 -1.26 -4.89 135.00 133.01 2kfs s PRO 17 Ca 0.54 0.76 0.02 0.00 0.04 0.00 0.00 61.00 62.36 2kfs s PRO 17 Cb -0.32 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.40 2kfs s PRO 17 CO 0.35 -2.08 -0.20 0.00 0.04 0.00 0.00 177.00 175.10 2kfs s ALA 18 N -3.00 2.31 0.00 8.56 0.00 -1.26 -4.59 121.76 123.78 2kfs s ALA 18 Ca 0.63 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.47 2kfs s ALA 18 Cb -0.17 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 21.86 2kfs s ALA 18 CO 0.56 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.61 2kfs n GLY 19 N 4.22 1.45 3.51 0.00 0.00 -1.26 -4.54 105.19 108.56 2kfs n GLY 19 Ca -0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 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 0.59 6.33 -0.42 1.61 2.15 -1.26 -3.59 116.67 122.08 2kfs s ASP 20 Ca 0.00 -0.42 -0.41 0.00 0.43 0.00 0.00 52.55 52.15 2kfs s ASP 20 Cb 0.00 -2.38 -0.16 0.00 -0.30 0.00 0.00 42.92 40.08 2kfs s ASP 20 CO 0.00 -1.04 2.02 -0.67 -0.17 0.00 0.00 175.17 175.31 2kfs n ASP 21 N 6.88 1.51 -0.06 -0.34 2.03 -1.24 -4.78 116.55 120.56 2kfs n ASP 21 Ca -0.00 0.73 -0.13 0.00 0.52 0.00 0.00 54.79 55.91 2kfs n ASP 21 Cb 0.47 -1.05 -0.14 0.00 -0.72 0.00 0.00 41.12 39.68 2kfs n ASP 21 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2kfs n VAL 22 N 6.06 1.57 -2.13 5.18 0.31 -1.26 -4.97 118.33 123.09 2kfs n VAL 22 Ca 0.43 -0.74 -0.40 0.00 -0.01 0.00 0.00 64.34 63.61 2kfs n VAL 22 Cb 0.07 -1.10 -0.02 0.00 -0.91 0.00 0.00 33.84 31.88 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 -6.21 4.37 0.55 7.52 0.05 -1.26 -4.97 118.68 118.74 2kfs s LEU 23 Ca -0.15 2.64 -0.22 0.00 0.05 0.00 0.00 54.13 56.45 2kfs s LEU 23 Cb 0.07 -3.72 -0.05 0.00 -2.05 0.00 0.00 46.19 40.44 2kfs s LEU 23 CO 0.77 -0.59 1.36 -0.62 -0.55 0.00 0.00 176.35 176.73 2kfs s ASP 24 N -0.59 5.23 0.63 1.48 -1.08 -1.26 -4.89 116.67 116.19 2kfs s ASP 24 Ca 0.51 2.78 0.26 0.00 -0.52 0.00 0.00 52.55 55.58 2kfs s ASP 24 Cb -0.39 -2.64 1.34 0.00 -1.46 0.00 0.00 42.92 39.78 2kfs s ASP 24 CO 0.51 -1.60 1.76 -0.65 0.52 0.00 0.00 175.17 175.71 2kfs h PRO 25 N 1.43 0.00 -0.25 4.34 0.11 -2.01 0.11 132.00 135.73 2kfs h PRO 25 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2kfs h PRO 25 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2kfs h PRO 25 CO 0.57 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.11 2kfs n ASP 26 N -3.16 2.97 -4.70 -2.05 8.00 -1.26 -4.88 116.55 111.47 2kfs n ASP 26 Ca 0.04 -1.93 -0.42 0.00 0.71 0.00 0.00 54.79 53.19 2kfs n ASP 26 Cb 0.63 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.55 2kfs n ASP 26 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2kfs s GLU 27 N -1.69 4.49 0.49 -1.24 0.41 0.02 -5.01 118.70 116.17 2kfs s GLU 27 Ca 0.35 1.44 -0.22 0.00 -0.41 0.00 0.00 54.97 56.14 2kfs s GLU 27 Cb 0.21 -3.49 -0.07 0.00 -1.78 0.00 0.00 34.13 29.01 2kfs s GLU 27 CO 0.31 -0.18 1.18 -1.25 -0.49 0.00 0.00 175.26 174.83 2kfs s PRO 28 N 1.43 3.59 0.32 0.39 0.04 -1.26 -4.94 135.00 134.57 2kfs s PRO 28 Ca 0.51 1.81 0.03 0.00 0.04 0.00 0.00 61.00 63.39 2kfs s PRO 28 Cb -0.21 -2.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.98 2kfs s PRO 28 CO 0.24 -0.70 0.13 0.95 0.04 0.00 0.00 177.00 177.66 2kfs s THR 29 N -1.55 0.53 0.18 1.26 -4.23 -1.26 -0.92 115.64 109.64 2kfs s THR 29 Ca 0.66 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.23 2kfs s THR 29 Cb -0.29 -2.54 -0.05 0.00 1.34 0.00 0.00 72.50 70.96 2kfs s THR 29 CO 0.35 0.00 -0.09 -0.31 -0.54 0.00 0.00 174.62 174.03 2kfs s TYR 30 N -3.52 1.43 0.22 3.99 2.02 0.14 -4.60 117.35 117.04 2kfs s TYR 30 Ca 0.34 -0.74 0.02 0.00 -0.37 0.00 0.00 57.07 56.31 2kfs s TYR 30 Cb 0.06 -0.73 -0.05 0.00 -0.40 0.00 0.00 41.96 40.83 2kfs s TYR 30 CO 0.16 0.13 0.05 0.34 -1.57 0.00 0.00 175.55 174.66 2kfs s ASP 31 N -3.23 1.29 0.13 2.29 -1.08 -1.26 -0.05 116.67 114.76 2kfs s ASP 31 Ca 0.20 -1.29 -0.29 0.00 -0.52 0.00 0.00 52.55 50.66 2kfs s ASP 31 Cb 0.02 0.12 -0.05 0.00 -1.46 0.00 0.00 42.92 41.56 2kfs s ASP 31 CO 0.04 -0.64 1.58 -0.07 0.52 0.00 0.00 175.17 176.59 2kfs h LEU 32 N 2.50 -1.32 -1.25 -1.34 3.38 -1.98 0.31 115.31 115.61 2kfs h LEU 32 Ca -0.38 0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 2kfs h LEU 32 Cb 1.23 0.54 -0.01 0.00 0.09 0.00 0.00 40.66 42.51 2kfs h LEU 32 CO 0.62 -0.42 -0.21 1.55 0.09 0.00 0.00 178.44 180.07 2kfs h PRO 33 N -0.47 0.25 -0.27 1.13 0.13 -1.98 -2.23 132.00 128.55 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 0.62 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 2kfs h PRO 33 CO -0.41 0.46 -0.46 -0.09 -0.23 0.00 0.00 178.00 177.26 2kfs h ARG 34 N 0.23 0.72 -0.50 0.86 9.65 -1.58 0.59 114.38 124.35 2kfs h ARG 34 Ca 0.04 -0.41 -0.11 0.00 -1.10 0.00 0.00 59.98 58.40 2kfs h ARG 34 Cb 0.51 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.10 2kfs h ARG 34 CO 0.03 1.03 -0.13 0.28 2.80 0.00 0.00 179.97 183.98 2kfs h VAL 35 N 0.57 1.27 -0.22 0.20 2.07 -0.25 0.17 116.25 120.05 2kfs h VAL 35 Ca 0.03 -1.27 0.01 0.00 0.82 0.00 0.00 66.70 66.29 2kfs h VAL 35 Cb 1.02 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 2kfs h VAL 35 CO 0.10 0.44 0.14 0.00 0.02 0.00 0.00 177.57 178.27 2kfs h ALA 36 N 0.99 0.28 -0.56 1.67 0.00 -1.24 -0.47 119.26 119.92 2kfs h ALA 36 Ca 0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2kfs h ALA 36 Cb 0.68 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2kfs h ALA 36 CO 0.05 -0.26 0.24 1.49 0.00 0.00 0.00 179.25 180.77 2kfs h GLU 37 N 0.29 0.84 0.01 0.00 4.22 -0.58 0.22 114.58 119.56 2kfs h GLU 37 Ca 0.08 -0.15 -0.00 0.00 0.08 0.00 0.00 59.36 59.38 2kfs h GLU 37 Cb -0.02 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.09 2kfs h GLU 37 CO -0.03 0.71 -0.00 1.25 -2.18 0.00 0.00 179.01 178.76 2kfs h LEU 38 N 0.77 -0.01 0.00 1.64 5.85 -0.33 -3.15 115.31 120.08 2kfs h LEU 38 Ca 0.19 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2kfs h LEU 38 Cb 0.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.21 2kfs h LEU 38 CO -0.02 0.10 -0.63 -0.07 -0.34 0.00 0.00 178.44 177.49 2kfs h LEU 39 N -0.12 0.00 0.09 2.25 3.38 -1.04 -3.48 115.31 116.40 2kfs h LEU 39 Ca -0.00 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2kfs h LEU 39 Cb 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2kfs h LEU 39 CO 0.00 0.02 -0.02 0.61 0.09 0.00 0.00 178.44 179.15 2kfs n GLY 40 N 1.20 0.36 3.43 0.83 0.00 0.69 -5.05 105.19 106.65 2kfs n GLY 40 Ca 0.02 -0.90 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.03 2.08 0.74 1.61 -7.23 -0.70 -5.03 120.40 109.84 2kfs s VAL 41 Ca 0.00 -2.28 -0.11 0.00 -1.81 0.00 0.00 61.98 57.78 2kfs s VAL 41 Cb 0.00 -2.27 0.03 0.00 0.56 0.00 0.00 36.38 34.71 2kfs s VAL 41 CO 0.00 -0.43 1.08 -2.16 -0.31 0.00 0.00 175.10 173.28 2kfs s PRO 42 N -3.60 2.59 0.45 4.82 0.04 -1.26 -4.34 135.00 133.70 2kfs s PRO 42 Ca 0.28 0.67 0.12 0.00 0.04 0.00 0.00 61.00 62.11 2kfs s PRO 42 Cb -0.02 -1.97 1.04 0.00 0.04 0.00 0.00 34.50 33.59 2kfs s PRO 42 CO 0.12 -1.28 2.06 0.28 0.04 0.00 0.00 177.00 178.22 2kfs h VAL 43 N -0.84 1.00 -0.68 -0.36 2.07 -1.93 -0.60 116.25 114.91 2kfs h VAL 43 Ca -0.46 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.01 2kfs h VAL 43 Cb 1.25 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 31.59 2kfs h VAL 43 CO 0.60 0.06 0.38 0.28 0.02 0.00 0.00 177.57 178.91 2kfs h SER 44 N 0.34 0.56 0.19 0.57 0.02 -1.96 0.12 113.55 113.38 2kfs h SER 44 Ca 0.15 0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 61.02 2kfs h SER 44 Cb 0.17 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 2kfs h SER 44 CO -0.03 0.36 -0.40 0.11 -1.14 0.00 0.00 176.83 175.72 2kfs h LYS 45 N 0.69 0.29 -0.33 3.45 1.57 -1.48 -1.04 116.57 119.72 2kfs h LYS 45 Ca 0.31 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 2kfs h LYS 45 Cb 0.21 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 2kfs h LYS 45 CO -0.19 0.65 0.16 0.28 -0.57 0.00 0.00 179.45 179.78 2kfs h VAL 46 N 0.24 1.15 -0.54 0.50 2.07 -0.87 -1.32 116.25 117.47 2kfs h VAL 46 Ca 0.02 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 2kfs h VAL 46 Cb 0.82 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 2kfs h VAL 46 CO 0.06 0.16 0.23 0.00 0.02 0.00 0.00 177.57 178.04 2kfs h ALA 47 N 1.02 1.38 -0.58 1.67 0.00 -0.51 -0.50 119.26 121.75 2kfs h ALA 47 Ca 0.11 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2kfs h ALA 47 Cb 0.10 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2kfs h ALA 47 CO -0.02 0.47 0.11 1.96 0.00 0.00 0.00 179.25 181.78 2kfs h GLN 48 N 0.77 0.92 -0.24 0.00 1.08 -0.63 0.75 115.11 117.76 2kfs h GLN 48 Ca 0.19 -0.21 -0.07 0.00 -1.45 0.00 0.00 58.65 57.11 2kfs h GLN 48 Cb 0.13 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 2kfs h GLN 48 CO -0.02 0.84 -0.11 1.96 -0.95 0.00 0.00 178.83 180.55 2kfs h GLN 49 N 0.88 0.50 -0.42 1.46 4.20 -0.55 -3.22 115.11 117.96 2kfs h GLN 49 Ca 0.18 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 2kfs h GLN 49 Cb 0.36 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 2kfs h GLN 49 CO 0.00 0.76 0.22 1.25 -0.67 0.00 0.00 178.83 180.40 2kfs h LEU 50 N 0.22 0.53 -1.92 1.46 7.12 -0.80 -1.32 115.31 120.60 2kfs h LEU 50 Ca 0.05 -0.10 -0.01 0.00 0.13 0.00 0.00 57.88 57.95 2kfs h LEU 50 Cb 0.61 -0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 40.60 2kfs h LEU 50 CO 0.03 0.48 -0.07 0.08 -0.13 0.00 0.00 178.44 178.84 2kfs h ARG 51 N 0.54 0.00 -0.62 1.25 0.11 -0.89 -1.79 114.38 112.99 2kfs h ARG 51 Ca 0.15 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.23 2kfs h ARG 51 Cb 0.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.16 2kfs h ARG 51 CO -0.02 0.07 0.00 0.39 0.10 0.00 0.00 179.97 180.51 2kfs n GLU 52 N -3.33 3.07 -2.29 0.08 1.02 -0.96 -3.39 120.64 114.83 2kfs n GLU 52 Ca -0.01 -2.63 -0.06 0.00 -0.02 0.00 0.00 57.16 54.44 2kfs n GLU 52 Cb 0.24 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 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 1.21 0.24 0.33 0.62 0.00 -0.67 -4.91 105.19 102.01 2kfs n GLY 53 Ca 0.23 -0.59 0.12 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.80 0.00 -3.48 1.61 8.25 -0.54 -4.51 115.22 112.76 2kfs n HIS 54 Ca -0.05 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.30 2kfs n HIS 54 Cb 0.54 -0.06 -0.03 0.00 1.12 0.00 0.00 29.99 31.57 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 -2.57 -0.49 0.03 2.41 2.96 -1.25 -4.49 118.68 115.27 2kfs s LEU 55 Ca 0.19 0.14 0.02 0.00 -0.22 0.00 0.00 54.13 54.26 2kfs s LEU 55 Cb 0.18 2.31 -0.02 0.00 0.50 0.00 0.00 46.19 49.17 2kfs s LEU 55 CO 0.60 -0.73 -0.06 0.54 -1.32 0.00 0.00 176.35 175.37 2kfs s VAL 56 N -2.91 0.44 0.31 1.68 0.11 -1.26 -4.55 120.40 114.22 2kfs s VAL 56 Ca 0.00 -0.80 0.10 0.00 -2.93 0.00 0.00 61.98 58.36 2kfs s VAL 56 Cb -0.01 -0.48 -0.06 0.00 -1.53 0.00 0.00 36.38 34.30 2kfs s VAL 56 CO -0.07 -0.25 -0.14 0.00 -3.33 0.00 0.00 175.10 171.31 2kfs s ALA 57 N -1.01 2.80 0.18 1.54 0.00 -1.26 -4.47 121.76 119.53 2kfs s ALA 57 Ca -0.07 -1.98 0.08 0.00 0.00 0.00 0.00 51.96 49.99 2kfs s ALA 57 Cb -0.08 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 2kfs s ALA 57 CO 0.00 0.15 -0.16 0.14 0.00 0.00 0.00 175.76 175.90 2kfs s VAL 58 N -2.61 1.70 -0.24 0.00 -7.23 0.95 -4.42 120.40 108.56 2kfs s VAL 58 Ca 0.31 -2.02 -0.05 0.00 -1.81 0.00 0.00 61.98 58.41 2kfs s VAL 58 Cb -0.01 -1.89 -0.01 0.00 0.56 0.00 0.00 36.38 35.04 2kfs s VAL 58 CO 0.15 -0.46 -0.01 -0.60 -0.31 0.00 0.00 175.10 173.87 2kfs s ARG 59 N -3.17 3.35 -0.14 4.82 3.52 -1.24 -0.73 118.95 125.36 2kfs s ARG 59 Ca 0.18 -0.65 -0.08 0.00 -0.13 0.00 0.00 55.73 55.05 2kfs s ARG 59 Cb -0.03 -3.10 0.05 0.00 -1.56 0.00 0.00 34.95 30.31 2kfs s ARG 59 CO 0.06 -0.24 0.33 -0.98 -0.81 0.00 0.00 175.30 173.67 2kfs s ARG 60 N 1.49 0.31 -1.79 5.12 1.70 0.42 -3.59 118.95 122.61 2kfs s ARG 60 Ca 0.05 0.66 0.00 0.00 -0.47 0.00 0.00 55.73 55.97 2kfs s ARG 60 Cb -0.15 -0.05 0.00 0.00 -0.57 0.00 0.00 34.95 34.18 2kfs s ARG 60 CO -0.02 -0.15 0.00 0.00 -1.08 0.00 0.00 175.30 174.05 2kfs n ALA 61 N 4.17 -0.48 -0.74 7.88 0.00 -1.26 -1.03 120.51 129.05 2kfs n ALA 61 Ca -0.24 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2kfs n ALA 61 Cb 0.54 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.97 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 -0.88 0.67 3.21 0.00 0.00 -1.26 -5.03 105.19 101.90 2kfs n GLY 62 Ca -0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 2kfs n GLY 62 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kfs s GLY 63 N -1.95 0.98 -0.28 -0.02 0.00 -0.20 -5.10 107.32 100.75 2kfs s GLY 63 Ca 0.00 -0.88 -0.11 0.00 0.00 0.00 0.00 44.72 43.72 2kfs s GLY 63 CO 0.00 -0.75 0.21 0.14 0.00 0.00 0.00 173.10 172.70 2kfs s VAL 64 N -0.53 5.29 0.16 1.40 1.01 -1.26 -0.44 120.40 126.04 2kfs s VAL 64 Ca 0.07 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.29 2kfs s VAL 64 Cb -0.08 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 2kfs s VAL 64 CO -0.00 0.23 -0.05 0.68 0.00 0.00 0.00 175.10 175.97 2kfs s VAL 65 N 1.79 0.89 -0.16 2.92 -7.23 0.09 -4.48 120.40 114.22 2kfs s VAL 65 Ca 0.08 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.21 2kfs s VAL 65 Cb -0.16 -1.98 -0.02 0.00 0.56 0.00 0.00 36.38 34.78 2kfs s VAL 65 CO 0.11 -0.62 -0.06 -0.63 -0.31 0.00 0.00 175.10 173.59 2kfs s ILE 66 N -3.51 3.61 -0.04 -0.62 1.09 0.93 -0.03 121.20 122.62 2kfs s ILE 66 Ca 0.20 -0.45 -0.34 0.00 -1.10 0.00 0.00 60.65 58.96 2kfs s ILE 66 Cb 0.05 -2.58 -0.12 0.00 -1.06 0.00 0.00 42.46 38.75 2kfs s ILE 66 CO 0.02 0.48 1.83 -2.65 -0.10 0.00 0.00 174.94 174.52 2kfs n PRO 67 N 3.78 2.19 0.26 2.79 -0.02 -1.26 0.27 135.00 143.01 2kfs n PRO 67 Ca -0.18 0.80 0.12 0.00 -2.02 0.00 0.00 63.50 62.23 2kfs n PRO 67 Cb 0.52 -2.64 0.69 0.00 -0.02 0.00 0.00 33.50 32.06 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 8.63 0.00 0.00 -0.52 4.15 -1.28 -2.12 115.11 123.97 2kfs h GLN 68 Ca -0.48 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.94 2kfs h GLN 68 Cb 1.27 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.96 2kfs h GLN 68 CO 0.94 0.13 0.00 1.33 -1.93 0.00 0.00 178.83 179.30 2kfs n VAL 69 N -3.60 1.26 1.50 2.39 0.24 -1.26 -1.21 118.33 117.66 2kfs n VAL 69 Ca -0.02 0.32 0.14 0.00 -2.04 0.00 0.00 64.34 62.74 2kfs n VAL 69 Cb 0.26 -1.18 0.59 0.00 -1.47 0.00 0.00 33.84 32.05 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 -1.44 0.00 -4.43 6.34 3.72 -0.80 -4.84 117.46 116.02 2kfs n PHE 70 Ca 0.03 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.13 2kfs n PHE 70 Cb 0.09 -0.08 -0.12 0.00 -0.94 0.00 0.00 39.48 38.42 2kfs n PHE 70 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2kfs s PHE 71 N -2.25 2.51 0.86 1.38 0.40 -0.35 -1.87 117.98 118.66 2kfs s PHE 71 Ca 0.34 -0.28 -0.11 0.00 -0.60 0.00 0.00 56.93 56.27 2kfs s PHE 71 Cb 0.21 -1.37 0.15 0.00 0.51 0.00 0.00 43.02 42.52 2kfs s PHE 71 CO 0.42 0.34 1.20 0.95 0.70 0.00 0.00 175.22 178.83 2kfs s THR 72 N -1.06 2.06 0.03 0.64 -4.23 0.71 -4.88 115.64 108.90 2kfs s THR 72 Ca 0.16 -0.14 0.31 0.00 -1.18 0.00 0.00 61.69 60.84 2kfs s THR 72 Cb -0.10 -2.93 0.32 0.00 1.34 0.00 0.00 72.50 71.13 2kfs s THR 72 CO 0.08 0.00 1.93 -0.55 -0.54 0.00 0.00 174.62 175.54 2kfs h ASN 73 N -1.21 0.00 0.90 3.99 7.08 -1.96 0.14 115.58 124.52 2kfs h ASN 73 Ca -0.43 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.79 2kfs h ASN 73 Cb 1.27 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.51 2kfs h ASN 73 CO 0.46 0.00 0.00 -1.20 -2.08 0.00 0.00 177.43 174.61 2kfs n SER 74 N -2.64 0.00 0.00 6.14 7.64 -1.26 -4.88 113.62 118.62 2kfs n SER 74 Ca -0.01 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.25 2kfs n SER 74 Cb 0.14 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 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 0.39 3.67 0.23 0.00 0.48 -5.03 105.19 106.35 2kfs n GLY 75 Ca 0.08 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.46 2.79 0.26 1.61 2.00 -1.25 -4.80 119.66 117.81 2kfs s GLN 76 Ca 0.00 -0.59 -0.30 0.00 -2.00 0.00 0.00 55.36 52.47 2kfs s GLN 76 Cb 0.00 -2.67 -0.11 0.00 0.80 0.00 0.00 33.01 31.03 2kfs s GLN 76 CO 0.00 0.64 1.53 0.08 -0.50 0.00 0.00 175.29 177.03 2kfs s VAL 77 N -1.04 2.37 0.14 1.34 1.01 -1.26 -0.21 120.40 122.76 2kfs s VAL 77 Ca 0.18 0.31 -0.33 0.00 0.00 0.00 0.00 61.98 62.14 2kfs s VAL 77 Cb -0.11 -3.20 -0.13 0.00 0.00 0.00 0.00 36.38 32.94 2kfs s VAL 77 CO 0.09 0.05 1.69 0.52 0.00 0.00 0.00 175.10 177.44 2kfs n VAL 78 N 2.46 0.12 0.26 2.92 0.31 -0.78 -4.83 118.33 118.80 2kfs n VAL 78 Ca 0.08 -0.02 0.14 0.00 -0.01 0.00 0.00 64.34 64.53 2kfs n VAL 78 Cb 0.39 -1.77 0.71 0.00 -0.91 0.00 0.00 33.84 32.26 2kfs n VAL 78 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 2kfs h LYS 79 N 6.88 0.00 -0.01 5.55 2.10 -1.92 -1.06 116.57 128.11 2kfs h LYS 79 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 2kfs h LYS 79 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 2kfs h LYS 79 CO 0.92 0.11 -0.08 0.43 -2.00 0.00 0.00 179.45 178.83 2kfs n SER 80 N -3.41 1.07 0.16 7.07 7.64 -1.26 -4.31 113.62 120.60 2kfs n SER 80 Ca -0.01 -1.16 -0.14 0.00 1.01 0.00 0.00 58.87 58.57 2kfs n SER 80 Cb 0.28 0.02 -0.08 0.00 -1.01 0.00 0.00 64.21 63.42 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 1.56 -0.35 -1.95 -3.43 6.46 -1.56 -2.90 115.31 113.14 2kfs h LEU 81 Ca 0.00 -0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 57.60 2kfs h LEU 81 Cb 0.43 0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.45 2kfs h LEU 81 CO 0.00 -0.03 -0.04 -0.65 -0.62 0.00 0.00 178.44 177.10 2kfs h PRO 82 N -0.70 0.00 -0.73 5.25 0.11 -1.76 -1.58 132.00 132.59 2kfs h PRO 82 Ca -0.04 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 2kfs h PRO 82 Cb 0.48 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.56 2kfs h PRO 82 CO 0.07 0.04 0.43 0.78 -0.21 0.00 0.00 178.00 179.10 2kfs h GLY 83 N 0.11 1.08 1.01 -0.55 0.00 -1.78 0.13 103.07 103.08 2kfs h GLY 83 Ca -0.00 -0.47 -0.12 0.00 0.00 0.00 0.00 47.33 46.75 2kfs h GLY 83 CO 0.00 0.45 -0.23 0.17 0.00 0.00 0.00 176.54 176.93 2kfs h LEU 84 N 1.01 0.82 -1.10 3.11 8.10 -1.10 -2.96 115.31 123.19 2kfs h LEU 84 Ca 0.26 -0.43 -0.03 0.00 0.11 0.00 0.00 57.88 57.79 2kfs h LEU 84 Cb -0.01 -0.23 -0.03 0.00 -0.44 0.00 0.00 40.66 39.96 2kfs h LEU 84 CO -0.05 1.07 0.28 -0.07 -4.11 0.00 0.00 178.44 175.56 2kfs h LEU 85 N 0.57 0.83 -0.25 0.17 3.38 -1.06 -2.60 115.31 116.35 2kfs h LEU 85 Ca 0.07 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.96 2kfs h LEU 85 Cb 0.80 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2kfs h LEU 85 CO 0.06 0.72 0.12 0.74 0.09 0.00 0.00 178.44 180.17 2kfs h THR 86 N 0.90 0.98 -0.38 0.22 2.02 -0.61 0.18 112.91 116.23 2kfs h THR 86 Ca 0.22 -0.09 -0.11 0.00 0.77 0.00 0.00 66.41 67.21 2kfs h THR 86 Cb 0.14 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 2kfs h THR 86 CO -0.02 0.05 -0.17 -0.29 0.37 0.00 0.00 175.52 175.45 2kfs h ILE 87 N 0.25 1.28 -0.30 3.11 -0.00 -1.33 -1.42 117.51 119.11 2kfs h ILE 87 Ca 0.10 -1.30 -0.10 0.00 -0.00 0.00 0.00 64.86 63.57 2kfs h ILE 87 Cb 0.04 1.31 -0.01 0.00 -0.00 0.00 0.00 36.82 38.16 2kfs h ILE 87 CO -0.08 0.43 -0.22 -0.07 -0.00 0.00 0.00 178.15 178.22 2kfs h LEU 88 N 0.59 0.56 -1.41 2.19 -0.00 -1.31 -2.34 115.31 113.59 2kfs h LEU 88 Ca 0.09 -0.18 -0.03 0.00 -0.00 0.00 0.00 57.88 57.75 2kfs h LEU 88 Cb 0.72 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 41.22 2kfs h LEU 88 CO 0.05 0.77 0.02 -0.74 -0.00 0.00 0.00 178.44 178.55 2kfs h HIS 89 N 0.50 0.42 -0.07 1.13 2.76 -0.37 0.13 115.15 119.65 2kfs h HIS 89 Ca 0.08 -0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.13 2kfs h HIS 89 Cb 0.65 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.47 2kfs h HIS 89 CO 0.02 0.41 -0.37 0.22 -1.30 0.00 0.00 177.93 176.91 2kfs h ASP 90 N 0.40 0.15 0.11 3.26 1.82 -0.73 -2.39 116.42 119.04 2kfs h ASP 90 Ca 0.09 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.68 2kfs h ASP 90 Cb 0.23 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.20 2kfs h ASP 90 CO 0.00 0.51 -0.27 0.61 -1.61 0.00 0.00 179.24 178.48 2kfs n GLY 91 N -0.35 -0.23 2.19 -0.78 0.00 -0.65 -4.96 105.19 100.41 2kfs n GLY 91 Ca -0.01 -0.50 -0.08 0.00 0.00 0.00 0.00 46.02 45.43 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 1.34 0.34 3.68 -0.02 0.00 0.25 -5.01 105.19 105.78 2kfs n GLY 92 Ca 0.12 -0.43 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.89 3.42 0.98 1.61 1.51 0.05 -5.00 117.35 117.04 2kfs s TYR 93 Ca 0.14 0.79 -0.12 0.00 -1.01 0.00 0.00 57.07 56.87 2kfs s TYR 93 Cb -0.06 -2.61 0.18 0.00 -0.11 0.00 0.00 41.96 39.35 2kfs s TYR 93 CO 0.17 -0.00 1.10 -0.98 -1.11 0.00 0.00 175.55 174.73 2kfs s ARG 94 N 1.27 0.56 0.22 -0.62 1.70 -1.26 -4.56 118.95 116.25 2kfs s ARG 94 Ca 0.24 0.51 -0.08 0.00 -0.47 0.00 0.00 55.73 55.93 2kfs s ARG 94 Cb -0.15 -1.75 0.30 0.00 -0.57 0.00 0.00 34.95 32.77 2kfs s ARG 94 CO 0.10 -2.64 1.77 0.38 -1.08 0.00 0.00 175.30 173.83 2kfs h ASP 95 N -1.83 0.41 -0.79 -2.89 2.03 -1.97 -1.46 116.42 109.92 2kfs h ASP 95 Ca -0.54 0.06 -0.02 0.00 -0.73 0.00 0.00 57.03 55.80 2kfs h ASP 95 Cb 1.33 -0.01 -0.04 0.00 -0.83 0.00 0.00 39.33 39.78 2kfs h ASP 95 CO 0.58 0.24 0.40 0.74 -1.03 0.00 0.00 179.24 180.17 2kfs h THR 96 N 0.56 1.24 -0.48 1.15 2.02 -1.91 -1.88 112.91 113.62 2kfs h THR 96 Ca 0.33 -0.65 -0.09 0.00 0.77 0.00 0.00 66.41 66.76 2kfs h THR 96 Cb 0.34 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 2kfs h THR 96 CO -0.26 0.28 -0.08 -0.33 0.37 0.00 0.00 175.52 175.50 2kfs h GLU 97 N 1.11 0.86 0.01 6.66 4.39 -1.64 -1.07 114.58 124.89 2kfs h GLU 97 Ca 0.27 -0.28 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 2kfs h GLU 97 Cb 0.08 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 2kfs h GLU 97 CO -0.04 0.91 -0.00 0.82 -1.16 0.00 0.00 179.01 179.54 2kfs h ILE 98 N 0.78 1.04 0.00 3.13 1.08 -0.81 -2.00 117.51 120.73 2kfs h ILE 98 Ca 0.13 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 2kfs h ILE 98 Cb 0.58 1.14 0.00 0.00 -3.07 0.00 0.00 36.82 35.47 2kfs h ILE 98 CO 0.04 0.04 0.00 0.00 -0.69 0.00 0.00 178.15 177.53 2kfs h MET 99 N -0.07 0.00 0.43 2.37 -0.00 -1.37 -2.71 114.93 113.58 2kfs h MET 99 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.68 2kfs h MET 99 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.67 2kfs h MET 99 CO 0.00 0.00 -0.21 -0.09 -0.00 0.00 0.00 176.91 176.62 2kfs h ARG 100 N 0.00 -0.55 -0.08 -0.10 2.43 -0.41 -1.74 114.38 113.93 2kfs h ARG 100 Ca 0.00 0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.08 2kfs h ARG 100 Cb 0.64 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 2kfs h ARG 100 CO 0.00 -0.37 -0.50 0.11 -1.51 0.00 0.00 179.97 177.70 2kfs h TRP 101 N -0.63 0.25 -0.46 2.20 5.08 -1.63 -3.25 115.95 117.52 2kfs h TRP 101 Ca -0.06 -0.08 -0.13 0.00 1.08 0.00 0.00 58.89 59.70 2kfs h TRP 101 Cb 0.44 -0.05 -0.01 0.00 -3.00 0.00 0.00 29.16 26.54 2kfs h TRP 101 CO 0.11 0.67 -0.22 1.25 -1.28 0.00 0.00 178.44 178.97 2kfs h LEU 102 N 0.17 0.99 0.00 0.11 5.85 -1.49 -3.19 115.31 117.75 2kfs h LEU 102 Ca 0.01 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.32 2kfs h LEU 102 Cb 0.95 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.71 2kfs h LEU 102 CO 0.08 1.17 -0.66 -0.26 -0.34 0.00 0.00 178.44 178.43 2kfs h PHE 103 N 0.80 0.00 -3.33 1.25 -1.00 -1.41 -1.93 116.94 111.32 2kfs h PHE 103 Ca 0.10 0.00 -0.55 0.00 2.81 0.00 0.00 57.97 60.33 2kfs h PHE 103 Cb 0.80 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.32 2kfs h PHE 103 CO 0.05 0.00 0.43 0.99 -1.61 0.00 0.00 178.31 178.18 2kfs s THR 104 N -3.27 4.85 0.19 -1.55 2.01 -1.20 -4.81 115.64 111.85 2kfs s THR 104 Ca 0.03 1.96 -0.31 0.00 0.31 0.00 0.00 61.69 63.68 2kfs s THR 104 Cb 0.10 -4.27 -0.09 0.00 0.01 0.00 0.00 72.50 68.24 2kfs s THR 104 CO 0.74 0.09 1.45 -2.84 -0.69 0.00 0.00 174.62 173.36 2kfs s PRO 105 N 1.54 4.28 -0.18 4.92 0.02 -1.26 -4.16 135.00 140.16 2kfs s PRO 105 Ca 0.48 2.23 0.00 0.00 0.02 0.00 0.00 61.00 63.73 2kfs s PRO 105 Cb -0.19 -3.17 0.01 0.00 0.02 0.00 0.00 34.50 31.18 2kfs s PRO 105 CO 0.21 -0.46 -0.17 0.34 -0.33 0.00 0.00 177.00 176.59 2kfs s ASP 106 N 0.76 3.39 0.57 2.53 2.15 0.50 -4.86 116.67 121.71 2kfs s ASP 106 Ca 0.63 -0.58 0.26 0.00 0.43 0.00 0.00 52.55 53.30 2kfs s ASP 106 Cb -0.41 -1.53 1.69 0.00 -0.30 0.00 0.00 42.92 42.38 2kfs s ASP 106 CO 0.36 0.02 2.23 -0.65 -0.17 0.00 0.00 175.17 176.96 2kfs h PRO 107 N 7.79 0.00 -0.01 4.34 0.11 -1.86 -0.39 132.00 141.99 2kfs h PRO 107 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2kfs h PRO 107 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2kfs h PRO 107 CO 0.61 0.00 -0.01 0.43 -0.21 0.00 0.00 178.00 178.83 2kfs n SER 108 N -4.02 0.88 -4.50 -2.05 7.64 -1.26 -4.01 113.62 106.31 2kfs n SER 108 Ca -0.03 -1.27 -0.35 0.00 1.01 0.00 0.00 58.87 58.23 2kfs n SER 108 Cb 0.08 -0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.16 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 -2.02 3.37 -0.16 -3.43 2.96 -0.17 -5.00 118.68 114.22 2kfs s LEU 109 Ca 0.41 -0.13 -0.01 0.00 -0.22 0.00 0.00 54.13 54.18 2kfs s LEU 109 Cb 0.21 -1.84 0.05 0.00 0.50 0.00 0.00 46.19 45.10 2kfs s LEU 109 CO 0.35 0.11 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.58 2kfs s THR 110 N 0.73 0.87 0.13 3.68 2.01 -1.26 -0.99 115.64 120.82 2kfs s THR 110 Ca 0.00 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.49 2kfs s THR 110 Cb -0.14 -1.13 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 2kfs s THR 110 CO 0.02 0.05 -0.01 0.27 -0.69 0.00 0.00 174.62 174.26 2kfs s ILE 111 N 1.73 0.53 -0.22 1.82 -4.36 -0.43 -4.87 121.20 115.41 2kfs s ILE 111 Ca 0.01 -1.94 -0.09 0.00 -0.26 0.00 0.00 60.65 58.36 2kfs s ILE 111 Cb -0.15 -1.94 -0.05 0.00 1.25 0.00 0.00 42.46 41.57 2kfs s ILE 111 CO -0.07 -0.62 0.12 0.28 0.24 0.00 0.00 174.94 174.89 2kfs s THR 112 N -3.75 5.15 0.30 8.37 -1.32 -1.26 0.58 115.64 123.71 2kfs s THR 112 Ca 0.19 0.10 0.07 0.00 -1.21 0.00 0.00 61.69 60.84 2kfs s THR 112 Cb 0.06 -3.38 -0.02 0.00 -1.51 0.00 0.00 72.50 67.65 2kfs s THR 112 CO 0.00 0.39 0.33 0.00 -2.21 0.00 0.00 174.62 173.13 2kfs s ARG 113 N 0.82 3.02 -0.11 7.08 1.70 -1.26 -4.92 118.95 125.29 2kfs s ARG 113 Ca 0.06 -1.05 -0.29 0.00 -0.47 0.00 0.00 55.73 53.98 2kfs s ARG 113 Cb -0.13 -2.68 -0.05 0.00 -0.57 0.00 0.00 34.95 31.52 2kfs s ARG 113 CO 0.02 0.22 1.81 0.34 -1.08 0.00 0.00 175.30 176.62 2kfs s ASP 114 N -4.01 6.33 0.00 -2.89 2.15 -1.26 -1.61 116.67 115.38 2kfs s ASP 114 Ca 0.39 2.10 0.00 0.00 0.43 0.00 0.00 52.55 55.47 2kfs s ASP 114 Cb -0.08 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.01 2kfs s ASP 114 CO 0.28 -1.23 0.00 0.61 -0.17 0.00 0.00 175.17 174.66 2kfs n GLY 115 N 4.66 0.59 3.22 2.66 0.00 -1.26 -5.07 105.19 110.00 2kfs n GLY 115 Ca 0.20 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.07 2kfs n GLY 115 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kfs s SER 116 N -2.09 1.74 -0.16 1.61 0.15 -0.63 -5.05 113.70 109.27 2kfs s SER 116 Ca 0.00 -0.87 0.19 0.00 0.70 0.00 0.00 55.95 55.97 2kfs s SER 116 Cb 0.00 -0.02 -0.27 0.00 -1.71 0.00 0.00 66.02 64.02 2kfs s SER 116 CO 0.00 -0.24 0.17 -2.11 1.20 0.00 0.00 173.24 172.26 2kfs n ARG 117 N 0.32 0.68 -1.12 5.44 1.85 -1.26 -4.55 116.66 118.02 2kfs n ARG 117 Ca -0.14 -0.04 0.00 0.00 -1.00 0.00 0.00 57.85 56.67 2kfs n ARG 117 Cb 0.58 -1.53 0.00 0.00 -1.05 0.00 0.00 32.46 30.46 2kfs n ARG 117 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2kfs n ASP 118 N -2.66 0.27 -4.67 2.89 -0.08 -1.26 -4.97 116.55 106.06 2kfs n ASP 118 Ca -0.27 -0.99 -0.35 0.00 -1.51 0.00 0.00 54.79 51.67 2kfs n ASP 118 Cb 1.04 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 44.40 2kfs n ASP 118 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kfs s ALA 119 N -2.00 3.43 -0.19 -1.67 0.00 -1.26 -4.02 121.76 116.05 2kfs s ALA 119 Ca 0.00 -0.74 -0.05 0.00 0.00 0.00 0.00 51.96 51.17 2kfs s ALA 119 Cb 0.00 -1.84 -0.03 0.00 0.00 0.00 0.00 23.12 21.25 2kfs s ALA 119 CO 0.00 0.30 0.01 0.08 0.00 0.00 0.00 175.76 176.15 2kfs s VAL 120 N -0.01 4.08 0.48 0.00 1.01 0.20 -4.86 120.40 121.30 2kfs s VAL 120 Ca 0.06 -0.28 -0.04 0.00 0.00 0.00 0.00 61.98 61.73 2kfs s VAL 120 Cb -0.12 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 2kfs s VAL 120 CO 0.01 0.44 0.76 -0.55 0.00 0.00 0.00 175.10 175.76 2kfs s SER 121 N 0.82 6.02 -0.80 3.32 0.15 -1.26 -1.31 113.70 120.64 2kfs s SER 121 Ca 0.01 0.69 -0.03 0.00 0.70 0.00 0.00 55.95 57.32 2kfs s SER 121 Cb -0.14 -1.95 0.00 0.00 -1.71 0.00 0.00 66.02 62.22 2kfs s SER 121 CO 0.02 -0.68 0.68 -3.20 1.20 0.00 0.00 173.24 171.26 2kfs n ASN 122 N -2.24 -3.47 -4.87 5.45 5.15 -0.16 -4.96 115.26 110.15 2kfs n ASN 122 Ca 0.01 -0.36 -0.23 0.00 -0.60 0.00 0.00 54.58 53.40 2kfs n ASN 122 Cb 0.56 -3.35 -0.04 0.00 -0.53 0.00 0.00 39.78 36.43 2kfs n ASN 122 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kfs s ALA 123 N -3.21 3.73 -0.06 5.20 0.00 -1.11 -4.38 121.76 121.93 2kfs s ALA 123 Ca 0.20 -1.26 -0.13 0.00 0.00 0.00 0.00 51.96 50.77 2kfs s ALA 123 Cb -0.09 -1.50 -0.05 0.00 0.00 0.00 0.00 23.12 21.48 2kfs s ALA 123 CO 0.45 0.36 0.32 -0.98 0.00 0.00 0.00 175.76 175.92 2kfs s ARG 124 N -3.59 3.87 0.59 0.00 1.70 -1.26 -0.37 118.95 119.89 2kfs s ARG 124 Ca 0.33 0.22 0.29 0.00 -0.47 0.00 0.00 55.73 56.11 2kfs s ARG 124 Cb -0.09 -3.26 1.40 0.00 -0.57 0.00 0.00 34.95 32.44 2kfs s ARG 124 CO 0.26 0.62 1.80 -1.35 -1.08 0.00 0.00 175.30 175.55 2kfs h PRO 125 N 5.18 0.00 -0.95 3.89 0.11 -1.68 0.46 132.00 139.01 2kfs h PRO 125 Ca -0.50 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 2kfs h PRO 125 Cb 1.21 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 2kfs h PRO 125 CO 0.63 0.00 0.59 0.28 -0.21 0.00 0.00 178.00 179.29 2kfs h VAL 126 N 0.00 1.25 -0.20 3.15 2.07 -1.69 -1.38 116.25 119.45 2kfs h VAL 126 Ca 0.30 -0.52 -0.07 0.00 0.82 0.00 0.00 66.70 67.22 2kfs h VAL 126 Cb 1.57 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2kfs h VAL 126 CO -0.00 0.26 -0.20 -0.78 0.02 0.00 0.00 177.57 176.87 2kfs h ASP 127 N 1.30 0.35 -0.08 0.57 3.58 -1.21 -1.62 116.42 119.30 2kfs h ASP 127 Ca 0.34 -0.10 -0.03 0.00 0.42 0.00 0.00 57.03 57.66 2kfs h ASP 127 Cb -0.09 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 40.87 2kfs h ASP 127 CO -0.07 0.56 -0.07 0.00 -2.88 0.00 0.00 179.24 176.78 2kfs h ALA 128 N 1.47 0.12 -0.29 -0.78 0.00 -1.34 -2.14 119.26 116.30 2kfs h ALA 128 Ca 0.06 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 2kfs h ALA 128 Cb 0.54 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2kfs h ALA 128 CO 0.04 -0.07 -0.14 1.37 0.00 0.00 0.00 179.25 180.45 2kfs h LEU 129 N -0.21 0.49 -1.19 0.00 8.10 -1.03 0.37 115.31 121.84 2kfs h LEU 129 Ca 0.01 -0.13 -0.08 0.00 0.11 0.00 0.00 57.88 57.80 2kfs h LEU 129 Cb 0.57 -0.13 -0.01 0.00 -0.44 0.00 0.00 40.66 40.65 2kfs h LEU 129 CO 0.02 0.66 -0.25 -0.74 -4.11 0.00 0.00 178.44 174.01 2kfs h HIS 130 N 0.46 0.27 -0.41 0.17 2.76 -1.28 -1.49 115.15 115.63 2kfs h HIS 130 Ca 0.08 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 2kfs h HIS 130 Cb 0.52 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.41 2kfs h HIS 130 CO 0.02 0.49 0.00 0.00 -1.30 0.00 0.00 177.93 177.13 2kfs n ALA 131 N -2.48 2.72 -2.14 5.26 0.00 -0.51 -4.89 120.51 118.47 2kfs n ALA 131 Ca -0.01 -0.90 -0.16 0.00 0.00 0.00 0.00 53.44 52.37 2kfs n ALA 131 Cb 0.36 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.79 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 0.67 -0.61 -1.15 0.00 -0.00 -0.56 -4.86 115.22 108.70 2kfs n HIS 132 Ca 0.15 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.35 2kfs n HIS 132 Cb 0.52 -3.19 0.25 0.00 -0.12 0.00 0.00 29.99 27.45 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 -2.54 2.73 0.11 1.57 6.02 0.12 -4.62 117.38 120.77 2kfs n GLN 133 Ca -0.18 -3.00 0.20 0.00 -0.01 0.00 0.00 57.00 54.01 2kfs n GLN 133 Cb 0.62 -1.91 0.75 0.00 1.02 0.00 0.00 30.24 30.72 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 1.70 2.07 -0.99 -1.58 0.00 -1.79 -1.68 119.26 116.98 2kfs h ALA 134 Ca 0.13 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.15 2kfs h ALA 134 Cb 1.71 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.44 2kfs h ALA 134 CO 0.39 -0.63 0.63 0.00 0.00 0.00 0.00 179.25 179.63 2kfs h ARG 135 N 0.00 0.93 0.00 0.00 2.47 -1.93 0.27 114.38 116.13 2kfs h ARG 135 Ca 0.18 -0.06 -0.12 0.00 -1.26 0.00 0.00 59.98 58.73 2kfs h ARG 135 Cb 1.05 -0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 29.15 2kfs h ARG 135 CO -0.00 0.62 -0.56 0.93 0.56 0.00 0.00 179.97 181.52 2kfs h GLU 136 N 0.96 0.00 -0.05 0.04 4.39 -1.70 0.08 114.58 118.30 2kfs h GLU 136 Ca 0.49 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.18 2kfs h GLU 136 Cb 0.52 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2kfs h GLU 136 CO -0.26 0.56 -0.03 0.28 -1.16 0.00 0.00 179.01 178.40 2kfs h VAL 137 N 0.00 1.34 -0.89 3.13 2.07 -1.05 -0.87 116.25 119.99 2kfs h VAL 137 Ca -0.01 -1.07 0.01 0.00 0.82 0.00 0.00 66.70 66.45 2kfs h VAL 137 Cb 1.08 1.96 -0.04 0.00 -1.52 0.00 0.00 31.29 32.77 2kfs h VAL 137 CO 0.07 0.29 0.58 0.58 0.02 0.00 0.00 177.57 179.12 2kfs h VAL 138 N -0.30 1.23 -0.46 2.57 2.07 -0.48 0.30 116.25 121.18 2kfs h VAL 138 Ca 0.01 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 67.15 2kfs h VAL 138 Cb 0.48 -0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.13 2kfs h VAL 138 CO 0.01 0.22 0.21 -0.09 0.02 0.00 0.00 177.57 177.94 2kfs h ARG 139 N 1.21 0.40 -0.28 1.57 2.43 -0.84 0.17 114.38 119.03 2kfs h ARG 139 Ca 0.32 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.34 2kfs h ARG 139 Cb -0.13 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 2kfs h ARG 139 CO -0.07 0.27 -0.36 0.00 -1.51 0.00 0.00 179.97 178.30 2kfs h ARG 140 N 0.41 0.63 -0.75 0.20 3.08 -0.44 -2.37 114.38 115.14 2kfs h ARG 140 Ca 0.20 -0.30 0.03 0.00 0.07 0.00 0.00 59.98 59.98 2kfs h ARG 140 Cb 0.14 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.14 2kfs h ARG 140 CO -0.17 0.90 0.48 0.00 -1.07 0.00 0.00 179.97 180.11 2kfs h ALA 141 N 1.08 0.99 -0.62 0.04 0.00 0.37 0.83 119.26 121.94 2kfs h ALA 141 Ca 0.05 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2kfs h ALA 141 Cb 0.86 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2kfs h ALA 141 CO 0.07 0.28 0.23 1.96 0.00 0.00 0.00 179.25 181.80 2kfs h GLN 142 N 0.94 0.92 -0.24 0.00 4.20 -0.49 0.20 115.11 120.65 2kfs h GLN 142 Ca 0.30 -0.15 -0.13 0.00 0.06 0.00 0.00 58.65 58.73 2kfs h GLN 142 Cb 0.00 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 2kfs h GLN 142 CO -0.11 0.76 -0.38 0.00 -0.67 0.00 0.00 178.83 178.43 2kfs h ALA 143 N 1.36 0.90 0.03 3.87 0.00 -0.74 -0.33 119.26 124.35 2kfs h ALA 143 Ca 0.21 -0.42 -0.25 0.00 0.00 0.00 0.00 54.91 54.45 2kfs h ALA 143 Cb 0.20 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.88 2kfs h ALA 143 CO -0.02 0.63 -1.03 0.52 0.00 0.00 0.00 179.25 179.35 2kfs h MET 144 N 0.45 0.47 0.00 0.00 2.86 -0.39 -3.36 114.93 114.96 2kfs h MET 144 Ca 0.04 -0.55 -0.01 0.00 -2.06 0.00 0.00 59.70 57.13 2kfs h MET 144 Cb 0.86 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.69 2kfs h MET 144 CO 0.07 1.19 -0.04 0.00 1.06 0.00 0.00 176.91 179.19 2kfs h ALA 145 N 0.61 0.00 -0.03 6.32 0.00 -0.49 -3.51 119.26 122.16 2kfs h ALA 145 Ca -0.11 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2kfs h ALA 145 Cb 1.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.48 2kfs h ALA 145 CO 0.18 -0.05 0.00 0.66 0.00 0.00 0.00 179.25 180.04