#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfs n PRO 2 N 0.00 1.51 -3.58 3.17 -0.04 -1.26 -4.66 135.00 130.15 2kfs n PRO 2 Ca 0.00 -0.86 -0.29 0.00 -0.04 0.00 0.00 63.50 62.31 2kfs n PRO 2 Cb 0.00 -1.98 -0.14 0.00 -0.04 0.00 0.00 33.50 31.33 2kfs n PRO 2 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2kfs s GLY 3 N 2.59 0.80 0.52 0.55 0.00 -1.26 -5.12 107.32 105.41 2kfs s GLY 3 Ca 0.42 -1.52 -0.22 0.00 0.00 0.00 0.00 44.72 43.40 2kfs s GLY 3 CO -0.01 1.93 1.36 1.09 0.00 0.00 0.00 173.10 177.47 2kfs s ARG 4 N 1.61 3.27 -0.42 2.90 3.03 -1.26 -4.82 118.95 123.25 2kfs s ARG 4 Ca 0.12 2.24 -0.39 0.00 2.03 0.00 0.00 55.73 59.73 2kfs s ARG 4 Cb -0.19 -2.34 -0.17 0.00 -1.03 0.00 0.00 34.95 31.23 2kfs s ARG 4 CO -0.22 -1.09 1.45 0.00 -1.13 0.00 0.00 175.30 174.31 2kfs n ALA 5 N -0.85 -0.89 -1.66 7.88 0.00 -1.26 -4.74 120.51 118.99 2kfs n ALA 5 Ca 0.09 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.48 2kfs n ALA 5 Cb 0.45 -1.66 -0.03 0.00 0.00 0.00 0.00 19.45 18.21 2kfs n ALA 5 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2kfs s PRO 6 N 3.04 3.57 -0.23 0.00 0.04 -1.26 -4.95 135.00 135.21 2kfs s PRO 6 Ca 0.92 2.24 0.01 0.00 0.04 0.00 0.00 61.00 64.20 2kfs s PRO 6 Cb -1.27 -4.27 0.04 0.00 0.04 0.00 0.00 34.50 29.03 2kfs s PRO 6 CO 0.67 -1.61 -0.12 0.20 0.04 0.00 0.00 177.00 176.18 2kfs s GLY 7 N 6.53 1.57 -0.08 0.56 0.00 -1.26 -5.05 107.32 109.59 2kfs s GLY 7 Ca 0.94 -1.49 -0.07 0.00 0.00 0.00 0.00 44.72 44.09 2kfs s GLY 7 CO 0.37 0.48 0.22 -0.56 0.00 0.00 0.00 173.10 173.61 2kfs s SER 8 N 1.24 -0.23 -0.00 1.64 0.01 -1.26 -5.00 113.70 110.09 2kfs s SER 8 Ca -0.02 0.44 0.20 0.00 1.31 0.00 0.00 55.95 57.88 2kfs s SER 8 Cb -0.17 0.43 -0.23 0.00 0.21 0.00 0.00 66.02 66.26 2kfs s SER 8 CO -0.07 -0.08 0.78 1.07 0.41 0.00 0.00 173.24 175.34 2kfs n THR 9 N 3.10 0.00 -1.53 1.44 5.66 -1.26 -4.78 114.28 116.91 2kfs n THR 9 Ca -0.14 -0.11 0.00 0.00 -3.05 0.00 0.00 64.05 60.75 2kfs n THR 9 Cb 0.58 0.83 0.00 0.00 -1.55 0.00 0.00 70.33 70.19 2kfs n THR 9 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2kfs n LEU 10 N -1.60 0.00 -4.69 1.09 7.99 -1.26 -5.01 117.00 113.52 2kfs n LEU 10 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 56.01 55.60 2kfs n LEU 10 Cb 0.35 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.63 2kfs n LEU 10 CO 0.41 -0.03 1.24 0.00 -1.51 0.00 0.00 177.39 177.50 2kfs s ALA 11 N -2.53 3.66 -0.06 -1.18 0.00 -1.26 -4.93 121.76 115.46 2kfs s ALA 11 Ca 0.00 1.14 -0.30 0.00 0.00 0.00 0.00 51.96 52.80 2kfs s ALA 11 Cb 0.00 -3.65 -0.03 0.00 0.00 0.00 0.00 23.12 19.44 2kfs s ALA 11 CO 0.00 -0.98 1.20 0.50 0.00 0.00 0.00 175.76 176.48 2kfs s ARG 12 N 2.28 4.35 0.28 0.00 3.52 -1.26 -4.95 118.95 123.16 2kfs s ARG 12 Ca 0.70 1.67 0.08 0.00 -0.13 0.00 0.00 55.73 58.05 2kfs s ARG 12 Cb -0.38 -3.57 -0.04 0.00 -1.56 0.00 0.00 34.95 29.41 2kfs s ARG 12 CO 0.31 -0.46 0.16 0.14 -0.81 0.00 0.00 175.30 174.63 2kfs s VAL 13 N 2.27 3.90 0.02 7.11 -7.23 -1.26 -1.80 120.40 123.41 2kfs s VAL 13 Ca 0.56 -1.56 -0.03 0.00 -1.81 0.00 0.00 61.98 59.14 2kfs s VAL 13 Cb -0.25 -3.18 -0.01 0.00 0.56 0.00 0.00 36.38 33.50 2kfs s VAL 13 CO 0.22 -0.31 0.05 -0.83 -0.31 0.00 0.00 175.10 173.91 2kfs s GLY 14 N -3.82 0.18 -0.37 2.32 0.00 -1.26 -4.86 107.32 99.50 2kfs s GLY 14 Ca 0.34 -0.47 -0.11 0.00 0.00 0.00 0.00 44.72 44.48 2kfs s GLY 14 CO 0.24 -0.58 0.20 -0.45 0.00 0.00 0.00 173.10 172.51 2kfs s SER 15 N -1.65 5.72 -0.17 1.64 0.15 -1.26 -3.70 113.70 114.44 2kfs s SER 15 Ca -0.12 -0.96 -0.02 0.00 0.70 0.00 0.00 55.95 55.55 2kfs s SER 15 Cb -0.07 -2.02 -0.01 0.00 -1.71 0.00 0.00 66.02 62.21 2kfs s SER 15 CO -0.01 -0.37 -0.10 -0.63 1.20 0.00 0.00 173.24 173.32 2kfs s ILE 16 N 1.56 3.09 0.86 6.45 -1.09 -1.26 -5.01 121.20 125.79 2kfs s ILE 16 Ca 0.02 -0.62 -0.12 0.00 -2.23 0.00 0.00 60.65 57.71 2kfs s ILE 16 Cb -0.19 -2.35 0.11 0.00 -1.58 0.00 0.00 42.46 38.45 2kfs s ILE 16 CO 0.07 0.48 1.12 -2.16 -1.23 0.00 0.00 174.94 173.21 2kfs s PRO 17 N 0.94 1.58 -0.14 2.79 0.04 -1.26 -4.82 135.00 134.12 2kfs s PRO 17 Ca -0.02 0.48 -0.27 0.00 0.04 0.00 0.00 61.00 61.23 2kfs s PRO 17 Cb -0.15 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 32.51 2kfs s PRO 17 CO -0.00 -1.94 0.91 0.00 0.04 0.00 0.00 177.00 176.01 2kfs s ALA 18 N -3.20 3.46 0.00 8.56 0.00 -1.26 -4.78 121.76 124.54 2kfs s ALA 18 Ca 0.62 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.78 2kfs s ALA 18 Cb -0.15 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2kfs s ALA 18 CO 0.54 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 176.09 2kfs n GLY 19 N 3.27 0.95 3.70 0.00 0.00 -1.25 -4.41 105.19 107.46 2kfs n GLY 19 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.03 6.51 -0.03 1.61 2.15 -1.26 -1.28 116.67 124.34 2kfs s ASP 20 Ca 0.00 0.60 -0.30 0.00 0.43 0.00 0.00 52.55 53.28 2kfs s ASP 20 Cb 0.00 -2.23 -0.06 0.00 -0.30 0.00 0.00 42.92 40.32 2kfs s ASP 20 CO 0.00 0.00 1.73 -0.62 -0.17 0.00 0.00 175.17 176.12 2kfs s ASP 21 N 0.73 6.61 -0.17 -0.34 2.15 -1.25 -4.57 116.67 119.83 2kfs s ASP 21 Ca 0.20 2.35 0.13 0.00 0.43 0.00 0.00 52.55 55.66 2kfs s ASP 21 Cb -0.14 -2.53 -0.23 0.00 -0.30 0.00 0.00 42.92 39.71 2kfs s ASP 21 CO 0.07 -0.96 0.16 0.52 -0.17 0.00 0.00 175.17 174.79 2kfs n VAL 22 N 5.48 1.47 -2.18 1.11 0.31 -1.26 -4.99 118.33 118.26 2kfs n VAL 22 Ca 0.18 -0.79 -0.30 0.00 -0.01 0.00 0.00 64.34 63.42 2kfs n VAL 22 Cb 0.42 -0.79 0.01 0.00 -0.91 0.00 0.00 33.84 32.57 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 -5.85 3.39 0.55 7.52 0.05 -1.26 -5.03 118.68 118.06 2kfs s LEU 23 Ca -0.13 1.22 -0.21 0.00 0.05 0.00 0.00 54.13 55.05 2kfs s LEU 23 Cb 0.07 -4.23 -0.05 0.00 -2.05 0.00 0.00 46.19 39.93 2kfs s LEU 23 CO 0.79 -0.75 1.36 -0.62 -0.55 0.00 0.00 176.35 176.58 2kfs s ASP 24 N -4.14 5.20 0.39 1.48 -1.08 -1.26 -4.91 116.67 112.34 2kfs s ASP 24 Ca 0.52 2.77 0.17 0.00 -0.52 0.00 0.00 52.55 55.48 2kfs s ASP 24 Cb -0.11 -2.64 1.06 0.00 -1.46 0.00 0.00 42.92 39.78 2kfs s ASP 24 CO 0.50 -1.62 1.78 -0.65 0.52 0.00 0.00 175.17 175.70 2kfs h PRO 25 N 1.38 0.42 -0.72 4.34 0.11 -2.00 -1.78 132.00 133.75 2kfs h PRO 25 Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2kfs h PRO 25 Cb 1.30 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2kfs h PRO 25 CO 0.57 0.28 0.00 -0.40 -0.21 0.00 0.00 178.00 178.24 2kfs n ASP 26 N -4.64 4.23 -4.77 -2.05 5.75 -1.26 -4.93 116.55 108.88 2kfs n ASP 26 Ca 0.25 -2.13 -0.38 0.00 -0.01 0.00 0.00 54.79 52.51 2kfs n ASP 26 Cb 0.82 -0.52 -0.01 0.00 -1.03 0.00 0.00 41.12 40.38 2kfs n ASP 26 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2kfs s GLU 27 N -1.26 3.87 0.19 0.11 0.41 -0.67 -4.93 118.70 116.41 2kfs s GLU 27 Ca 0.50 1.94 -0.32 0.00 -0.41 0.00 0.00 54.97 56.68 2kfs s GLU 27 Cb 0.28 -2.58 -0.12 0.00 -1.78 0.00 0.00 34.13 29.93 2kfs s GLU 27 CO 0.31 -0.51 1.76 -0.35 -0.49 0.00 0.00 175.26 175.98 2kfs n PRO 28 N -0.17 2.80 -4.36 0.39 -0.04 -1.26 -4.96 135.00 127.40 2kfs n PRO 28 Ca 0.06 1.01 -0.18 0.00 -0.04 0.00 0.00 63.50 64.35 2kfs n PRO 28 Cb 0.46 -2.87 -0.10 0.00 -0.04 0.00 0.00 33.50 30.94 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 1.55 1.11 0.15 0.52 -4.23 -1.26 -1.04 115.64 112.44 2kfs s THR 29 Ca 0.77 -2.04 0.05 0.00 -1.18 0.00 0.00 61.69 59.28 2kfs s THR 29 Cb -0.50 -2.42 -0.04 0.00 1.34 0.00 0.00 72.50 70.88 2kfs s THR 29 CO 0.33 -0.27 -0.10 -0.31 -0.54 0.00 0.00 174.62 173.73 2kfs s TYR 30 N -3.37 1.29 0.10 3.99 2.02 0.13 -4.58 117.35 116.93 2kfs s TYR 30 Ca 0.30 -0.76 0.02 0.00 -0.37 0.00 0.00 57.07 56.26 2kfs s TYR 30 Cb 0.06 -0.65 -0.04 0.00 -0.40 0.00 0.00 41.96 40.92 2kfs s TYR 30 CO 0.10 0.08 -0.07 0.16 -1.57 0.00 0.00 175.55 174.26 2kfs s ASP 31 N -3.18 1.16 0.15 2.29 -4.77 -1.26 -0.12 116.67 110.94 2kfs s ASP 31 Ca 0.17 -0.98 -0.27 0.00 -3.30 0.00 0.00 52.55 48.17 2kfs s ASP 31 Cb 0.03 0.09 0.00 0.00 -1.09 0.00 0.00 42.92 41.94 2kfs s ASP 31 CO 0.01 -0.44 1.57 -0.07 0.70 0.00 0.00 175.17 176.94 2kfs h LEU 32 N 3.05 -1.45 -1.43 2.11 3.38 -1.99 0.32 115.31 119.30 2kfs h LEU 32 Ca -0.35 0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.86 2kfs h LEU 32 Cb 1.17 0.64 -0.03 0.00 0.09 0.00 0.00 40.66 42.52 2kfs h LEU 32 CO 0.63 -0.36 0.40 1.55 0.09 0.00 0.00 178.44 180.75 2kfs h PRO 33 N -0.31 0.74 -0.30 1.13 0.13 -1.98 0.13 132.00 131.54 2kfs h PRO 33 Ca 0.14 -0.04 -0.14 0.00 -0.87 0.00 0.00 66.00 65.08 2kfs h PRO 33 Cb 0.58 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.54 2kfs h PRO 33 CO -0.59 0.49 -0.39 -0.09 -0.23 0.00 0.00 178.00 177.19 2kfs h ARG 34 N 0.76 0.72 -0.37 0.86 9.65 -1.45 -1.54 114.38 123.00 2kfs h ARG 34 Ca 0.24 -0.37 -0.16 0.00 -1.10 0.00 0.00 59.98 58.59 2kfs h ARG 34 Cb 0.01 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 2kfs h ARG 34 CO -0.06 0.98 -0.37 0.28 2.80 0.00 0.00 179.97 183.60 2kfs h VAL 35 N 0.59 1.27 -0.89 0.20 2.07 0.20 0.04 116.25 119.74 2kfs h VAL 35 Ca 0.05 -1.55 0.03 0.00 0.82 0.00 0.00 66.70 66.05 2kfs h VAL 35 Cb 0.93 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 32.06 2kfs h VAL 35 CO 0.08 0.52 0.58 0.00 0.02 0.00 0.00 177.57 178.78 2kfs h ALA 36 N 0.76 1.42 -0.22 1.67 0.00 -0.58 0.18 119.26 122.49 2kfs h ALA 36 Ca 0.06 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2kfs h ALA 36 Cb 0.97 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2kfs h ALA 36 CO 0.09 0.51 -0.09 1.49 0.00 0.00 0.00 179.25 181.25 2kfs h GLU 37 N 1.14 0.45 -0.40 0.00 4.81 -1.11 -0.30 114.58 119.18 2kfs h GLU 37 Ca 0.34 -0.19 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 2kfs h GLU 37 Cb -0.04 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 2kfs h GLU 37 CO -0.09 0.72 0.06 1.25 -0.73 0.00 0.00 179.01 180.22 2kfs h LEU 38 N 0.16 0.64 0.00 1.64 5.85 0.08 -2.95 115.31 120.73 2kfs h LEU 38 Ca 0.05 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2kfs h LEU 38 Cb 0.58 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2kfs h LEU 38 CO 0.03 0.74 -0.42 -0.07 -0.34 0.00 0.00 178.44 178.38 2kfs h LEU 39 N 0.51 0.00 0.00 2.25 3.38 -0.74 -3.47 115.31 117.25 2kfs h LEU 39 Ca 0.12 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2kfs h LEU 39 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2kfs h LEU 39 CO 0.01 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.16 2kfs n GLY 40 N 1.17 0.39 3.25 0.83 0.00 -0.20 -5.05 105.19 105.58 2kfs n GLY 40 Ca 0.03 -1.06 -0.20 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.00 1.44 0.93 1.61 -7.23 -0.72 -5.02 120.40 109.41 2kfs s VAL 41 Ca 0.00 -1.58 -0.11 0.00 -1.81 0.00 0.00 61.98 58.48 2kfs s VAL 41 Cb 0.00 -1.45 0.15 0.00 0.56 0.00 0.00 36.38 35.64 2kfs s VAL 41 CO 0.00 -0.25 1.10 -2.16 -0.31 0.00 0.00 175.10 173.48 2kfs s PRO 42 N -2.22 0.94 0.44 4.82 0.04 -1.26 -4.34 135.00 133.41 2kfs s PRO 42 Ca 0.06 1.13 0.14 0.00 0.04 0.00 0.00 61.00 62.38 2kfs s PRO 42 Cb -0.08 -1.75 1.05 0.00 0.04 0.00 0.00 34.50 33.77 2kfs s PRO 42 CO 0.04 -2.55 1.98 0.28 0.04 0.00 0.00 177.00 176.79 2kfs h VAL 43 N -1.79 0.89 -0.44 -0.36 2.07 -1.92 -1.45 116.25 113.25 2kfs h VAL 43 Ca -0.49 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 66.93 2kfs h VAL 43 Cb 1.28 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 2kfs h VAL 43 CO 0.49 0.07 0.24 0.77 0.02 0.00 0.00 177.57 179.16 2kfs h SER 44 N 0.38 0.37 -0.12 0.57 4.64 -1.99 0.20 113.55 117.60 2kfs h SER 44 Ca 0.27 0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.48 2kfs h SER 44 Cb 0.56 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 2kfs h SER 44 CO -0.07 0.27 -0.35 0.11 -0.87 0.00 0.00 176.83 175.92 2kfs h LYS 45 N 0.49 0.62 -0.16 4.77 1.57 -1.62 -1.41 116.57 120.83 2kfs h LYS 45 Ca 0.18 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 2kfs h LYS 45 Cb 0.05 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2kfs h LYS 45 CO -0.10 0.88 0.07 0.28 -0.57 0.00 0.00 179.45 180.01 2kfs h VAL 46 N 0.53 1.14 -0.91 0.50 2.07 -1.10 -2.14 116.25 116.34 2kfs h VAL 46 Ca 0.05 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.19 2kfs h VAL 46 Cb 0.85 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 2kfs h VAL 46 CO 0.07 0.13 0.60 0.00 0.02 0.00 0.00 177.57 178.39 2kfs h ALA 47 N 0.92 1.39 -0.55 1.67 0.00 -0.47 -1.56 119.26 120.67 2kfs h ALA 47 Ca 0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2kfs h ALA 47 Cb 0.14 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2kfs h ALA 47 CO -0.01 0.53 0.22 1.96 0.00 0.00 0.00 179.25 181.96 2kfs h GLN 48 N 1.18 0.80 0.06 0.00 1.08 -0.91 0.20 115.11 117.51 2kfs h GLN 48 Ca 0.35 -0.12 -0.00 0.00 -1.45 0.00 0.00 58.65 57.43 2kfs h GLN 48 Cb -0.05 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.24 2kfs h GLN 48 CO -0.10 0.65 -0.03 1.96 -0.95 0.00 0.00 178.83 180.37 2kfs h GLN 49 N 0.79 -0.08 -0.74 1.46 4.20 -0.64 -1.32 115.11 118.78 2kfs h GLN 49 Ca 0.19 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.88 2kfs h GLN 49 Cb 0.16 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 2kfs h GLN 49 CO -0.02 0.10 0.36 -0.07 -0.67 0.00 0.00 178.83 178.53 2kfs h LEU 50 N -0.25 0.97 -1.85 1.46 4.07 -1.17 0.42 115.31 118.96 2kfs h LEU 50 Ca -0.01 -0.13 -0.03 0.00 0.08 0.00 0.00 57.88 57.79 2kfs h LEU 50 Cb 0.22 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 41.71 2kfs h LEU 50 CO 0.01 0.83 -0.13 0.03 -1.08 0.00 0.00 178.44 178.10 2kfs h ARG 51 N 1.04 0.00 -0.02 1.13 3.08 -0.43 -0.93 114.38 118.26 2kfs h ARG 51 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 2kfs h ARG 51 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2kfs h ARG 51 CO -0.03 0.13 -0.02 0.39 -1.07 0.00 0.00 179.97 179.37 2kfs n GLU 52 N -4.01 1.74 -2.85 0.04 -0.58 -0.51 -4.43 120.64 110.04 2kfs n GLU 52 Ca -0.02 -1.13 -0.10 0.00 -0.42 0.00 0.00 57.16 55.49 2kfs n GLU 52 Cb 0.22 -1.48 0.03 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 1.22 0.24 0.03 0.62 0.00 -0.35 -4.75 105.19 102.21 2kfs n GLY 53 Ca 0.17 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.68 0.26 -3.55 1.61 8.25 0.07 -4.77 115.22 113.41 2kfs n HIS 54 Ca -0.02 0.08 -0.15 0.00 -0.26 0.00 0.00 57.72 57.37 2kfs n HIS 54 Cb 0.54 -0.45 -0.05 0.00 1.12 0.00 0.00 29.99 31.14 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 -4.04 -0.30 0.16 2.41 0.20 -1.25 -3.64 118.68 112.23 2kfs s LEU 55 Ca 0.02 0.38 0.04 0.00 0.69 0.00 0.00 54.13 55.26 2kfs s LEU 55 Cb 0.14 2.28 -0.05 0.00 -0.43 0.00 0.00 46.19 48.14 2kfs s LEU 55 CO 0.82 -0.68 -0.07 0.68 -0.29 0.00 0.00 176.35 176.81 2kfs s VAL 56 N -1.96 1.06 0.10 1.68 -7.23 -1.26 -4.13 120.40 108.66 2kfs s VAL 56 Ca -0.08 -2.04 -0.01 0.00 -1.81 0.00 0.00 61.98 58.04 2kfs s VAL 56 Cb -0.01 -1.97 -0.04 0.00 0.56 0.00 0.00 36.38 34.93 2kfs s VAL 56 CO 0.03 -0.64 0.03 0.00 -0.31 0.00 0.00 175.10 174.21 2kfs s ALA 57 N -3.40 0.70 0.21 1.32 0.00 -1.26 -4.71 121.76 114.62 2kfs s ALA 57 Ca 0.20 -1.35 0.07 0.00 0.00 0.00 0.00 51.96 50.88 2kfs s ALA 57 Cb 0.04 0.65 -0.05 0.00 0.00 0.00 0.00 23.12 23.76 2kfs s ALA 57 CO 0.02 -0.45 -0.13 0.14 0.00 0.00 0.00 175.76 175.34 2kfs s VAL 58 N -4.00 1.70 -0.20 0.00 -7.23 0.32 -3.74 120.40 107.26 2kfs s VAL 58 Ca 0.18 -2.20 -0.02 0.00 -1.81 0.00 0.00 61.98 58.12 2kfs s VAL 58 Cb 0.07 -2.08 -0.00 0.00 0.56 0.00 0.00 36.38 34.94 2kfs s VAL 58 CO -0.03 -0.57 -0.09 -0.60 -0.31 0.00 0.00 175.10 173.51 2kfs s ARG 59 N -3.66 3.29 -0.05 4.82 3.52 -0.40 -0.64 118.95 125.83 2kfs s ARG 59 Ca 0.23 -0.67 -0.03 0.00 -0.13 0.00 0.00 55.73 55.13 2kfs s ARG 59 Cb -0.00 -2.88 0.02 0.00 -1.56 0.00 0.00 34.95 30.53 2kfs s ARG 59 CO 0.07 -0.16 0.11 -0.98 -0.81 0.00 0.00 175.30 173.53 2kfs s ARG 60 N 1.33 0.09 -1.90 5.12 1.70 0.29 -3.91 118.95 121.67 2kfs s ARG 60 Ca 0.04 0.23 0.00 0.00 -0.47 0.00 0.00 55.73 55.53 2kfs s ARG 60 Cb -0.14 -0.07 0.00 0.00 -0.57 0.00 0.00 34.95 34.17 2kfs s ARG 60 CO -0.05 -0.09 0.00 0.00 -1.08 0.00 0.00 175.30 174.08 2kfs n ALA 61 N 3.62 -0.39 -0.91 7.88 0.00 -1.26 -0.66 120.51 128.78 2kfs n ALA 61 Ca -0.20 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2kfs n ALA 61 Cb 0.55 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 18.01 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 -0.76 0.72 3.50 0.00 0.00 -1.26 -5.02 105.19 102.37 2kfs n GLY 62 Ca -0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.96 1.61 -0.27 -0.02 0.00 0.16 -5.09 107.32 101.75 2kfs s GLY 63 Ca 0.00 -1.09 -0.13 0.00 0.00 0.00 0.00 44.72 43.49 2kfs s GLY 63 CO 0.00 -0.95 0.30 0.14 0.00 0.00 0.00 173.10 172.59 2kfs s VAL 64 N -0.90 5.23 0.10 1.40 1.01 -1.26 -0.55 120.40 125.43 2kfs s VAL 64 Ca 0.15 0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.58 2kfs s VAL 64 Cb -0.11 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 2kfs s VAL 64 CO 0.05 0.20 -0.08 0.68 0.00 0.00 0.00 175.10 175.95 2kfs s VAL 65 N 1.88 0.79 -0.11 2.92 -7.23 0.18 -4.43 120.40 114.40 2kfs s VAL 65 Ca 0.12 -1.84 0.01 0.00 -1.81 0.00 0.00 61.98 58.46 2kfs s VAL 65 Cb -0.16 -1.57 -0.02 0.00 0.56 0.00 0.00 36.38 35.20 2kfs s VAL 65 CO 0.10 -0.77 -0.15 -0.63 -0.31 0.00 0.00 175.10 173.34 2kfs s ILE 66 N -3.22 2.93 0.13 -0.62 1.01 0.83 -0.52 121.20 121.73 2kfs s ILE 66 Ca 0.10 -0.72 -0.32 0.00 0.00 0.00 0.00 60.65 59.71 2kfs s ILE 66 Cb 0.02 -2.20 -0.11 0.00 0.01 0.00 0.00 42.46 40.18 2kfs s ILE 66 CO -0.03 0.54 1.80 -2.65 0.00 0.00 0.00 174.94 174.60 2kfs n PRO 67 N 3.27 2.69 0.29 2.79 -0.02 -1.26 0.22 135.00 142.99 2kfs n PRO 67 Ca -0.18 0.98 0.15 0.00 -2.02 0.00 0.00 63.50 62.43 2kfs n PRO 67 Cb 0.53 -2.85 0.90 0.00 -0.02 0.00 0.00 33.50 32.05 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 8.06 0.00 0.00 -0.52 4.15 -1.33 -1.45 115.11 124.01 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 1.23 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.92 2kfs h GLN 68 CO 0.94 0.02 0.00 1.33 -1.93 0.00 0.00 178.83 179.19 2kfs n VAL 69 N -3.82 0.28 1.50 2.39 0.24 -1.26 -1.47 118.33 116.19 2kfs n VAL 69 Ca -0.03 0.07 0.14 0.00 -2.04 0.00 0.00 64.34 62.48 2kfs n VAL 69 Cb 0.10 -0.83 0.60 0.00 -1.47 0.00 0.00 33.84 32.25 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 -1.14 0.00 -4.51 6.34 3.01 -0.55 -4.85 117.46 115.76 2kfs n PHE 70 Ca 0.09 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.30 2kfs n PHE 70 Cb 0.09 -0.09 -0.10 0.00 -0.01 0.00 0.00 39.48 39.36 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 -2.26 2.40 0.38 1.38 0.40 -0.54 -3.23 117.98 116.50 2kfs s PHE 71 Ca 0.34 -0.46 0.01 0.00 -0.60 0.00 0.00 56.93 56.22 2kfs s PHE 71 Cb 0.20 -1.31 -0.02 0.00 0.51 0.00 0.00 43.02 42.41 2kfs s PHE 71 CO 0.42 0.60 0.58 0.95 0.70 0.00 0.00 175.22 178.48 2kfs s THR 72 N -2.58 4.58 -0.10 0.64 -4.23 0.79 -4.83 115.64 109.92 2kfs s THR 72 Ca 0.32 -0.56 0.28 0.00 -1.18 0.00 0.00 61.69 60.56 2kfs s THR 72 Cb 0.01 -3.67 0.30 0.00 1.34 0.00 0.00 72.50 70.48 2kfs s THR 72 CO 0.16 -0.42 1.86 -0.55 -0.54 0.00 0.00 174.62 175.13 2kfs h ASN 73 N 0.65 0.00 0.82 3.99 -1.07 -1.94 -0.76 115.58 117.27 2kfs h ASN 73 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.89 2kfs h ASN 73 Cb 1.24 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.49 2kfs h ASN 73 CO 0.59 0.00 0.00 -1.20 0.07 0.00 0.00 177.43 176.89 2kfs n SER 74 N -2.54 0.00 0.00 6.14 7.64 -1.26 -4.88 113.62 118.72 2kfs n SER 74 Ca -0.00 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.13 2kfs n SER 74 Cb 0.15 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 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 1.38 0.70 3.72 0.23 0.00 -0.29 -5.05 105.19 105.87 2kfs n GLY 75 Ca 0.10 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.62 2.61 0.31 1.61 -0.21 -1.25 -4.48 119.66 117.63 2kfs s GLN 76 Ca 0.00 -0.98 -0.29 0.00 0.02 0.00 0.00 55.36 54.12 2kfs s GLN 76 Cb 0.00 -2.49 -0.10 0.00 1.00 0.00 0.00 33.01 31.42 2kfs s GLN 76 CO 0.00 0.48 1.18 0.08 -2.12 0.00 0.00 175.29 174.91 2kfs s VAL 77 N -1.67 3.18 0.15 1.09 1.01 -1.26 -0.15 120.40 122.76 2kfs s VAL 77 Ca 0.28 1.17 -0.31 0.00 0.00 0.00 0.00 61.98 63.12 2kfs s VAL 77 Cb -0.10 -3.73 -0.10 0.00 0.00 0.00 0.00 36.38 32.45 2kfs s VAL 77 CO 0.20 0.26 1.60 -0.69 0.00 0.00 0.00 175.10 176.47 2kfs s VAL 78 N -1.19 2.64 0.45 2.92 1.01 -1.20 -4.80 120.40 120.23 2kfs s VAL 78 Ca 0.48 0.41 0.17 0.00 0.00 0.00 0.00 61.98 63.04 2kfs s VAL 78 Cb -0.34 -3.27 0.21 0.00 0.00 0.00 0.00 36.38 32.98 2kfs s VAL 78 CO 0.45 0.03 2.01 0.07 0.00 0.00 0.00 175.10 177.66 2kfs h LYS 79 N 7.05 0.00 0.00 2.72 2.10 -1.93 -1.06 116.57 125.44 2kfs h LYS 79 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 2kfs h LYS 79 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 2kfs h LYS 79 CO 0.92 0.17 0.00 0.43 -2.00 0.00 0.00 179.45 178.97 2kfs n SER 80 N -4.20 0.00 0.29 7.07 7.64 -1.26 -4.10 113.62 119.07 2kfs n SER 80 Ca -0.02 0.02 -0.15 0.00 1.01 0.00 0.00 58.87 59.72 2kfs n SER 80 Cb 0.24 -0.33 -0.08 0.00 -1.01 0.00 0.00 64.21 63.03 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 0.00 -0.63 -1.86 -3.43 5.85 -1.53 -1.36 115.31 112.35 2kfs h LEU 81 Ca 0.00 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 2kfs h LEU 81 Cb 0.29 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 2kfs h LEU 81 CO 0.00 -0.30 -0.10 1.55 -0.34 0.00 0.00 178.44 179.25 2kfs h PRO 82 N -1.00 0.00 -0.37 5.25 0.13 -1.71 -2.33 132.00 131.98 2kfs h PRO 82 Ca -0.08 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.01 2kfs h PRO 82 Cb 0.64 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 2kfs h PRO 82 CO 0.13 0.10 0.06 0.78 -0.23 0.00 0.00 178.00 178.84 2kfs h GLY 83 N 0.35 0.66 1.08 1.56 0.00 -1.70 0.83 103.07 105.85 2kfs h GLY 83 Ca -0.00 -0.44 -0.12 0.00 0.00 0.00 0.00 47.33 46.77 2kfs h GLY 83 CO 0.01 0.41 -0.18 0.17 0.00 0.00 0.00 176.54 176.95 2kfs h LEU 84 N 0.45 0.99 -1.08 3.11 8.10 -0.92 -2.77 115.31 123.19 2kfs h LEU 84 Ca 0.11 -0.39 -0.03 0.00 0.11 0.00 0.00 57.88 57.69 2kfs h LEU 84 Cb 0.36 -0.27 -0.03 0.00 -0.44 0.00 0.00 40.66 40.28 2kfs h LEU 84 CO 0.01 1.15 0.29 -0.07 -4.11 0.00 0.00 178.44 175.70 2kfs h LEU 85 N 0.82 0.85 -0.35 0.17 3.38 -1.21 -2.87 115.31 116.11 2kfs h LEU 85 Ca 0.11 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.02 2kfs h LEU 85 Cb 0.75 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 2kfs h LEU 85 CO 0.06 0.74 0.14 0.74 0.09 0.00 0.00 178.44 180.21 2kfs h THR 86 N 0.93 0.93 -0.41 0.22 2.02 -0.54 0.10 112.91 116.16 2kfs h THR 86 Ca 0.22 -0.10 -0.10 0.00 0.77 0.00 0.00 66.41 67.20 2kfs h THR 86 Cb 0.13 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 2kfs h THR 86 CO -0.03 0.05 -0.15 -0.29 0.37 0.00 0.00 175.52 175.48 2kfs h ILE 87 N 0.30 1.28 -0.50 3.11 -0.00 -1.43 -1.43 117.51 118.84 2kfs h ILE 87 Ca 0.15 -1.27 -0.12 0.00 -0.00 0.00 0.00 64.86 63.62 2kfs h ILE 87 Cb 0.11 1.25 -0.02 0.00 -0.00 0.00 0.00 36.82 38.16 2kfs h ILE 87 CO -0.14 0.43 -0.16 -0.07 -0.00 0.00 0.00 178.15 178.21 2kfs h LEU 88 N 0.63 0.98 -1.07 2.19 -0.00 -1.29 -2.19 115.31 114.56 2kfs h LEU 88 Ca 0.10 -0.34 -0.08 0.00 -0.00 0.00 0.00 57.88 57.56 2kfs h LEU 88 Cb 0.70 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 41.08 2kfs h LEU 88 CO 0.05 1.12 -0.21 0.45 -0.00 0.00 0.00 178.44 179.84 2kfs h HIS 89 N 0.85 0.44 0.00 1.13 3.86 -0.70 -0.08 115.15 120.66 2kfs h HIS 89 Ca 0.12 -0.08 -0.05 0.00 -1.16 0.00 0.00 60.37 59.20 2kfs h HIS 89 Cb 0.71 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.06 2kfs h HIS 89 CO 0.05 0.60 -0.25 0.22 0.86 0.00 0.00 177.93 179.41 2kfs h ASP 90 N 0.37 0.00 0.16 2.45 3.58 -0.45 -1.65 116.42 120.88 2kfs h ASP 90 Ca 0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2kfs h ASP 90 Cb 0.58 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.63 2kfs h ASP 90 CO 0.04 0.25 -0.17 0.61 -2.88 0.00 0.00 179.24 177.09 2kfs n GLY 91 N -0.33 -0.43 1.61 -0.78 0.00 -0.47 -4.80 105.19 99.99 2kfs n GLY 91 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 1.28 0.70 3.92 -0.02 0.00 -0.62 -5.06 105.19 105.40 2kfs n GLY 92 Ca 0.14 -0.72 -0.26 0.00 0.00 0.00 0.00 46.02 45.19 2kfs n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kfs s TYR 93 N -2.30 3.53 0.43 1.61 1.51 -0.16 -5.00 117.35 116.95 2kfs s TYR 93 Ca 0.00 0.60 0.07 0.00 -1.01 0.00 0.00 57.07 56.73 2kfs s TYR 93 Cb 0.00 -2.11 -0.03 0.00 -0.11 0.00 0.00 41.96 39.70 2kfs s TYR 93 CO 0.00 -0.06 0.25 -0.98 -1.11 0.00 0.00 175.55 173.65 2kfs s ARG 94 N -4.43 2.31 0.20 -0.62 1.70 -1.26 -4.59 118.95 112.26 2kfs s ARG 94 Ca 0.44 -1.80 -0.10 0.00 -0.47 0.00 0.00 55.73 53.80 2kfs s ARG 94 Cb -0.10 -2.08 0.26 0.00 -0.57 0.00 0.00 34.95 32.46 2kfs s ARG 94 CO 0.39 -0.20 1.74 0.38 -1.08 0.00 0.00 175.30 176.54 2kfs h ASP 95 N 1.25 0.21 -0.74 -2.89 2.03 -1.94 -1.34 116.42 113.01 2kfs h ASP 95 Ca -0.42 0.08 -0.02 0.00 -0.73 0.00 0.00 57.03 55.94 2kfs h ASP 95 Cb 1.26 0.06 -0.03 0.00 -0.83 0.00 0.00 39.33 39.79 2kfs h ASP 95 CO 0.66 0.13 0.39 0.74 -1.03 0.00 0.00 179.24 180.12 2kfs h THR 96 N 0.39 1.23 -0.35 1.15 2.02 -1.91 -2.40 112.91 113.04 2kfs h THR 96 Ca 0.30 -0.60 -0.10 0.00 0.77 0.00 0.00 66.41 66.78 2kfs h THR 96 Cb 0.37 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 2kfs h THR 96 CO -0.30 0.26 -0.19 -0.33 0.37 0.00 0.00 175.52 175.33 2kfs h GLU 97 N 1.03 0.65 -0.22 6.66 5.08 -1.63 -0.90 114.58 125.24 2kfs h GLU 97 Ca 0.26 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2kfs h GLU 97 Cb 0.07 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2kfs h GLU 97 CO -0.04 0.80 0.13 0.82 -1.00 0.00 0.00 179.01 179.72 2kfs h ILE 98 N 0.58 1.10 0.00 3.13 1.08 -0.93 -2.07 117.51 120.40 2kfs h ILE 98 Ca 0.09 -0.25 -0.02 0.00 -0.39 0.00 0.00 64.86 64.28 2kfs h ILE 98 Cb 0.65 0.87 -0.00 0.00 -3.07 0.00 0.00 36.82 35.27 2kfs h ILE 98 CO 0.05 0.10 -0.10 0.24 -0.69 0.00 0.00 178.15 177.74 2kfs h MET 99 N 0.25 0.00 0.52 2.37 2.86 -1.25 -2.79 114.93 116.89 2kfs h MET 99 Ca 0.08 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 2kfs h MET 99 Cb 0.04 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.70 2kfs h MET 99 CO -0.01 0.10 -0.33 -0.09 1.06 0.00 0.00 176.91 177.63 2kfs h ARG 100 N 0.00 -0.77 -0.09 1.72 2.43 -0.42 -0.85 114.38 116.40 2kfs h ARG 100 Ca -0.00 0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.10 2kfs h ARG 100 Cb 0.74 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 2kfs h ARG 100 CO 0.01 -0.52 -0.48 0.11 -1.51 0.00 0.00 179.97 177.59 2kfs h TRP 101 N -0.80 0.27 -0.94 2.20 5.08 -1.65 -3.13 115.95 116.98 2kfs h TRP 101 Ca -0.07 -0.08 0.03 0.00 1.08 0.00 0.00 58.89 59.85 2kfs h TRP 101 Cb 0.65 -0.06 -0.05 0.00 -3.00 0.00 0.00 29.16 26.70 2kfs h TRP 101 CO -0.05 0.66 0.61 -0.07 -1.28 0.00 0.00 178.44 178.32 2kfs h LEU 102 N 0.18 1.03 0.00 0.11 3.38 -1.26 -2.86 115.31 115.89 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 0.91 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2kfs h LEU 102 CO 0.07 0.72 -0.77 -0.26 0.09 0.00 0.00 178.44 178.29 2kfs h PHE 103 N 1.21 0.00 -3.43 1.13 -1.00 -1.21 -2.98 116.94 110.65 2kfs h PHE 103 Ca 0.37 0.00 -0.61 0.00 2.81 0.00 0.00 57.97 60.54 2kfs h PHE 103 Cb -0.03 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 39.42 2kfs h PHE 103 CO -0.01 0.00 0.32 0.99 -1.61 0.00 0.00 178.31 178.01 2kfs s THR 104 N -3.24 4.86 0.16 -1.55 2.01 -1.08 -4.78 115.64 112.02 2kfs s THR 104 Ca 0.04 1.19 -0.34 0.00 0.31 0.00 0.00 61.69 62.89 2kfs s THR 104 Cb 0.12 -4.08 -0.14 0.00 0.01 0.00 0.00 72.50 68.42 2kfs s THR 104 CO 0.75 -0.14 1.59 -2.65 -0.69 0.00 0.00 174.62 173.48 2kfs n PRO 105 N 6.02 2.19 -3.53 4.92 -0.02 -1.26 -4.50 135.00 138.82 2kfs n PRO 105 Ca 0.02 0.79 -0.37 0.00 -2.02 0.00 0.00 63.50 61.93 2kfs n PRO 105 Cb 0.48 -2.57 -0.08 0.00 -0.02 0.00 0.00 33.50 31.32 2kfs n PRO 105 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2kfs s ASP 106 N 0.99 6.34 0.66 2.55 -1.08 -0.48 -4.84 116.67 120.82 2kfs s ASP 106 Ca 0.79 0.39 0.44 0.00 -0.52 0.00 0.00 52.55 53.65 2kfs s ASP 106 Cb -0.67 -2.17 2.39 0.00 -1.46 0.00 0.00 42.92 41.00 2kfs s ASP 106 CO 0.38 0.03 2.36 1.55 0.52 0.00 0.00 175.17 180.01 2kfs h PRO 107 N 7.13 0.00 -0.22 4.34 0.13 -1.93 -1.98 132.00 139.47 2kfs h PRO 107 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2kfs h PRO 107 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2kfs h PRO 107 CO 0.72 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.36 2kfs n SER 108 N -3.12 2.54 -4.69 1.44 3.41 -1.26 -4.57 113.62 107.37 2kfs n SER 108 Ca -0.03 -1.82 -0.35 0.00 -0.26 0.00 0.00 58.87 56.41 2kfs n SER 108 Cb 0.08 -0.15 -0.09 0.00 -0.26 0.00 0.00 64.21 63.79 2kfs n SER 108 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2kfs s LEU 109 N -0.95 3.98 -0.16 1.04 2.96 -0.74 -4.97 118.68 119.83 2kfs s LEU 109 Ca 0.18 0.17 0.01 0.00 -0.22 0.00 0.00 54.13 54.28 2kfs s LEU 109 Cb 0.10 -2.00 0.01 0.00 0.50 0.00 0.00 46.19 44.80 2kfs s LEU 109 CO 0.14 0.21 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.30 2kfs s THR 110 N 0.13 2.23 0.11 3.68 2.01 -1.26 -0.33 115.64 122.22 2kfs s THR 110 Ca 0.06 -0.90 0.05 0.00 0.31 0.00 0.00 61.69 61.21 2kfs s THR 110 Cb -0.12 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 2kfs s THR 110 CO -0.00 0.53 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.71 2kfs s ILE 111 N 1.07 1.18 -0.11 1.82 1.01 0.50 -4.91 121.20 121.75 2kfs s ILE 111 Ca -0.01 -1.69 0.03 0.00 0.00 0.00 0.00 60.65 58.98 2kfs s ILE 111 Cb -0.14 -1.47 0.01 0.00 0.01 0.00 0.00 42.46 40.87 2kfs s ILE 111 CO -0.07 -0.48 -0.19 -0.89 0.00 0.00 0.00 174.94 173.32 2kfs s THR 112 N -2.27 1.78 -0.02 2.92 2.01 -1.26 0.27 115.64 119.07 2kfs s THR 112 Ca 0.08 -0.83 0.03 0.00 0.31 0.00 0.00 61.69 61.28 2kfs s THR 112 Cb -0.04 -1.58 -0.00 0.00 0.01 0.00 0.00 72.50 70.89 2kfs s THR 112 CO 0.02 0.50 -0.11 -0.60 -0.69 0.00 0.00 174.62 173.74 2kfs s ARG 113 N 0.74 1.07 -0.19 4.92 3.52 -1.26 -4.88 118.95 122.87 2kfs s ARG 113 Ca -0.10 -0.38 -0.03 0.00 -0.13 0.00 0.00 55.73 55.08 2kfs s ARG 113 Cb -0.16 -0.99 0.00 0.00 -1.56 0.00 0.00 34.95 32.24 2kfs s ARG 113 CO 0.01 0.17 0.07 -3.47 -0.81 0.00 0.00 175.30 171.28 2kfs n ASP 114 N 3.12 -7.24 0.00 -2.12 2.03 -1.26 -4.82 116.55 106.26 2kfs n ASP 114 Ca -0.17 0.84 0.00 0.00 0.52 0.00 0.00 54.79 55.98 2kfs n ASP 114 Cb 0.55 -3.45 0.00 0.00 -0.72 0.00 0.00 41.12 37.50 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 0.86 -1.88 3.57 0.27 0.00 -1.26 -4.69 105.19 102.07 2kfs n GLY 115 Ca 0.00 -1.11 -0.31 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.82 5.47 -0.14 1.61 0.01 -1.26 -4.61 113.70 113.96 2kfs s SER 116 Ca 0.00 -1.62 -0.23 0.00 1.31 0.00 0.00 55.95 55.41 2kfs s SER 116 Cb 0.00 -2.58 -0.21 0.00 0.21 0.00 0.00 66.02 63.44 2kfs s SER 116 CO 0.00 -2.57 0.56 0.03 0.41 0.00 0.00 173.24 171.67 2kfs h ARG 117 N 9.62 0.00 0.00 12.44 2.47 -1.88 -3.50 114.38 133.53 2kfs h ARG 117 Ca 0.24 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.96 2kfs h ARG 117 Cb 0.94 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.26 2kfs h ARG 117 CO 1.28 0.84 0.00 -3.47 0.56 0.00 0.00 179.97 179.18 2kfs n ASP 118 N -4.61 0.00 -4.82 7.04 -0.08 -1.26 -5.13 116.55 107.68 2kfs n ASP 118 Ca -0.12 0.00 -0.38 0.00 -1.51 0.00 0.00 54.79 52.78 2kfs n ASP 118 Cb 0.44 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.84 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 -1.56 3.65 -0.24 -1.67 0.00 -1.26 -4.70 121.76 115.97 2kfs s ALA 119 Ca 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 51.96 51.82 2kfs s ALA 119 Cb 0.00 -2.51 -0.01 0.00 0.00 0.00 0.00 23.12 20.61 2kfs s ALA 119 CO 0.00 0.44 -0.01 0.08 0.00 0.00 0.00 175.76 176.27 2kfs s VAL 120 N -1.10 3.53 0.14 0.00 1.01 0.14 -4.95 120.40 119.17 2kfs s VAL 120 Ca 0.27 -0.53 -0.20 0.00 0.00 0.00 0.00 61.98 61.51 2kfs s VAL 120 Cb -0.18 -2.66 -0.07 0.00 0.00 0.00 0.00 36.38 33.47 2kfs s VAL 120 CO 0.16 0.34 0.65 -0.44 0.00 0.00 0.00 175.10 175.82 2kfs s SER 121 N 1.49 7.13 -0.43 3.32 0.01 -1.26 -0.37 113.70 123.58 2kfs s SER 121 Ca 0.05 1.38 -0.00 0.00 1.31 0.00 0.00 55.95 58.68 2kfs s SER 121 Cb -0.15 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2kfs s SER 121 CO -0.02 0.19 0.41 -3.20 0.41 0.00 0.00 173.24 171.04 2kfs n ASN 122 N 1.39 -5.42 -4.50 2.44 5.15 0.56 -4.97 115.26 109.90 2kfs n ASN 122 Ca -0.07 -0.03 -0.27 0.00 -0.60 0.00 0.00 54.58 53.61 2kfs n ASN 122 Cb 0.50 -3.55 -0.09 0.00 -0.53 0.00 0.00 39.78 36.11 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 -2.97 3.11 -0.01 5.20 0.00 -1.25 -4.76 121.76 121.09 2kfs s ALA 123 Ca 0.00 -1.55 -0.17 0.00 0.00 0.00 0.00 51.96 50.24 2kfs s ALA 123 Cb -0.00 0.40 -0.06 0.00 0.00 0.00 0.00 23.12 23.46 2kfs s ALA 123 CO 0.44 -0.20 0.48 -0.98 0.00 0.00 0.00 175.76 175.51 2kfs s ARG 124 N -3.80 4.12 0.63 0.00 1.70 -1.26 -1.38 118.95 118.96 2kfs s ARG 124 Ca 0.26 0.53 0.25 0.00 -0.47 0.00 0.00 55.73 56.30 2kfs s ARG 124 Cb 0.06 -3.29 1.27 0.00 -0.57 0.00 0.00 34.95 32.43 2kfs s ARG 124 CO 0.13 0.53 1.72 -1.35 -1.08 0.00 0.00 175.30 175.24 2kfs h PRO 125 N 5.21 0.00 -0.88 3.89 0.11 -1.75 0.06 132.00 138.63 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 1.21 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 2kfs h PRO 125 CO 0.66 0.00 0.56 0.28 -0.21 0.00 0.00 178.00 179.29 2kfs h VAL 126 N 0.00 1.24 -0.57 3.15 2.07 -1.89 -2.04 116.25 118.20 2kfs h VAL 126 Ca 0.12 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 2kfs h VAL 126 Cb 1.25 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 2kfs h VAL 126 CO -0.00 0.24 0.18 0.44 0.02 0.00 0.00 177.57 178.44 2kfs h ASP 127 N 1.21 0.79 -0.38 0.57 3.32 -1.29 -2.66 116.42 117.98 2kfs h ASP 127 Ca 0.32 -0.13 -0.14 0.00 0.02 0.00 0.00 57.03 57.10 2kfs h ASP 127 Cb -0.09 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 2kfs h ASP 127 CO -0.06 0.75 -0.33 0.00 -1.72 0.00 0.00 179.24 177.88 2kfs h ALA 128 N 1.36 0.55 -0.34 3.45 0.00 -1.49 -2.26 119.26 120.53 2kfs h ALA 128 Ca 0.19 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 2kfs h ALA 128 Cb 0.25 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2kfs h ALA 128 CO -0.01 0.61 -0.16 1.37 0.00 0.00 0.00 179.25 181.07 2kfs h LEU 129 N 0.71 0.59 -0.58 0.00 8.10 -1.06 0.31 115.31 123.37 2kfs h LEU 129 Ca 0.07 -0.18 -0.01 0.00 0.11 0.00 0.00 57.88 57.87 2kfs h LEU 129 Cb 0.91 -0.16 -0.00 0.00 -0.44 0.00 0.00 40.66 40.97 2kfs h LEU 129 CO 0.08 0.77 -0.06 -0.74 -4.11 0.00 0.00 178.44 174.38 2kfs h HIS 130 N 0.55 0.00 -0.30 0.17 2.76 -1.45 -3.08 115.15 113.79 2kfs h HIS 130 Ca 0.09 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 2kfs h HIS 130 Cb 0.58 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.54 2kfs h HIS 130 CO 0.02 0.06 0.00 0.00 -1.30 0.00 0.00 177.93 176.72 2kfs n ALA 131 N -2.12 2.45 -3.13 5.26 0.00 -0.63 -4.93 120.51 117.42 2kfs n ALA 131 Ca 0.02 -0.84 -0.16 0.00 0.00 0.00 0.00 53.44 52.46 2kfs n ALA 131 Cb 0.47 -0.93 0.05 0.00 0.00 0.00 0.00 19.45 19.03 2kfs n ALA 131 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2kfs n HIS 132 N 1.15 -1.82 -1.29 0.00 -0.00 -0.77 -4.89 115.22 107.59 2kfs n HIS 132 Ca 0.18 0.61 0.08 0.00 0.46 0.00 0.00 57.72 59.05 2kfs n HIS 132 Cb 0.53 -3.68 0.16 0.00 -0.12 0.00 0.00 29.99 26.88 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 -3.44 1.38 0.02 1.57 6.02 0.98 -4.79 117.38 119.12 2kfs n GLN 133 Ca -0.02 -2.84 0.21 0.00 -0.01 0.00 0.00 57.00 54.35 2kfs n GLN 133 Cb 0.55 -1.52 0.73 0.00 1.02 0.00 0.00 30.24 31.01 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 0.39 2.36 -0.98 -1.58 0.00 -1.80 -1.62 119.26 116.03 2kfs h ALA 134 Ca -0.00 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.99 2kfs h ALA 134 Cb 1.01 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.76 2kfs h ALA 134 CO 0.00 -0.70 0.61 0.00 0.00 0.00 0.00 179.25 179.17 2kfs h ARG 135 N 0.00 0.99 0.00 0.00 3.08 -1.91 0.18 114.38 116.71 2kfs h ARG 135 Ca 0.24 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.14 2kfs h ARG 135 Cb 1.11 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 2kfs h ARG 135 CO -0.00 0.65 -0.45 0.93 -1.07 0.00 0.00 179.97 180.03 2kfs h GLU 136 N 1.02 0.00 -0.03 0.04 4.39 -1.70 0.61 114.58 118.91 2kfs h GLU 136 Ca 0.47 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.14 2kfs h GLU 136 Cb 0.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2kfs h GLU 136 CO -0.24 0.45 -0.10 0.28 -1.16 0.00 0.00 179.01 178.24 2kfs h VAL 137 N 0.00 1.48 -0.86 3.13 2.07 -1.10 -1.79 116.25 119.17 2kfs h VAL 137 Ca -0.00 -1.55 0.02 0.00 0.82 0.00 0.00 66.70 65.99 2kfs h VAL 137 Cb 0.91 2.43 -0.05 0.00 -1.52 0.00 0.00 31.29 33.07 2kfs h VAL 137 CO 0.06 0.42 0.56 0.58 0.02 0.00 0.00 177.57 179.21 2kfs h VAL 138 N -0.46 1.17 -0.50 2.57 2.07 -0.59 0.37 116.25 120.89 2kfs h VAL 138 Ca -0.00 -0.38 0.04 0.00 0.82 0.00 0.00 66.70 67.18 2kfs h VAL 138 Cb 0.73 -0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 2kfs h VAL 138 CO 0.02 0.20 0.25 -0.09 0.02 0.00 0.00 177.57 177.97 2kfs h ARG 139 N 1.11 0.47 -0.59 1.57 2.43 -0.82 0.34 114.38 118.89 2kfs h ARG 139 Ca 0.33 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.38 2kfs h ARG 139 Cb -0.05 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 2kfs h ARG 139 CO -0.10 0.31 0.01 -0.09 -1.51 0.00 0.00 179.97 178.59 2kfs h ARG 140 N 0.48 1.02 -0.51 0.20 9.65 -0.58 -1.81 114.38 122.84 2kfs h ARG 140 Ca 0.22 -0.31 0.01 0.00 -1.10 0.00 0.00 59.98 58.80 2kfs h ARG 140 Cb 0.14 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.59 2kfs h ARG 140 CO -0.16 1.00 0.34 0.00 2.80 0.00 0.00 179.97 183.94 2kfs h ALA 141 N 1.06 0.64 -0.43 2.80 0.00 -0.14 -1.16 119.26 122.04 2kfs h ALA 141 Ca 0.17 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.08 2kfs h ALA 141 Cb 0.53 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2kfs h ALA 141 CO 0.03 0.09 0.20 1.96 0.00 0.00 0.00 179.25 181.52 2kfs h GLN 142 N 0.69 0.39 -0.62 0.00 1.08 -0.10 0.50 115.11 117.05 2kfs h GLN 142 Ca 0.19 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.34 2kfs h GLN 142 Cb -0.08 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.23 2kfs h GLN 142 CO -0.04 0.26 0.30 0.00 -0.95 0.00 0.00 178.83 178.40 2kfs h ALA 143 N 1.24 1.37 0.12 3.87 0.00 -0.88 0.77 119.26 125.74 2kfs h ALA 143 Ca 0.19 -0.12 -0.28 0.00 0.00 0.00 0.00 54.91 54.69 2kfs h ALA 143 Cb 0.11 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 17.67 2kfs h ALA 143 CO -0.14 0.50 -1.22 0.52 0.00 0.00 0.00 179.25 178.90 2kfs h MET 144 N 0.87 0.45 0.17 0.00 2.86 -0.64 -3.36 114.93 115.28 2kfs h MET 144 Ca 0.22 -0.65 -0.26 0.00 -2.06 0.00 0.00 59.70 56.95 2kfs h MET 144 Cb 0.08 0.22 0.02 0.00 0.06 0.00 0.00 31.60 31.99 2kfs h MET 144 CO -0.03 1.28 -1.19 0.00 1.06 0.00 0.00 176.91 178.04 2kfs h ALA 145 N 0.46 -0.04 -0.01 6.32 0.00 -0.69 -3.51 119.26 121.78 2kfs h ALA 145 Ca -0.16 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 53.90 2kfs h ALA 145 Cb 1.91 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.92 2kfs h ALA 145 CO 0.22 0.60 0.00 0.66 0.00 0.00 0.00 179.25 180.73