#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kno s LYS 2 N 0.00 1.06 -0.52 2.12 3.01 -1.26 -5.06 119.74 119.10 3kno s LYS 2 Ca 0.00 -0.36 0.03 0.00 -1.01 0.00 0.00 55.97 54.63 3kno s LYS 2 Cb 0.00 0.48 0.42 0.00 -1.01 0.00 0.00 37.83 37.73 3kno s LYS 2 CO 0.00 -0.40 1.47 2.41 0.51 0.00 0.00 175.35 179.34 3kno n THR 3 N 0.20 2.88 0.00 2.17 -1.04 -1.26 -4.92 114.28 112.31 3kno n THR 3 Ca -0.18 -4.26 0.00 0.00 -2.04 0.00 0.00 64.05 57.58 3kno n THR 3 Cb 0.61 -1.21 0.00 0.00 -1.82 0.00 0.00 70.33 67.92 3kno n THR 3 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kno n TYR 4 N -0.64 0.00 -1.57 -1.42 0.18 -1.26 -4.68 117.16 107.78 3kno n TYR 4 Ca 0.48 0.00 -0.53 0.00 1.88 0.00 0.00 57.90 59.72 3kno n TYR 4 Cb 0.67 -0.06 -0.06 0.00 -0.38 0.00 0.00 39.34 39.51 3kno n TYR 4 CO 0.00 0.00 0.00 1.55 -2.08 0.00 0.00 176.86 176.33 3kno n VAL 5 N -1.95 0.10 -0.51 -3.48 3.14 -1.26 -5.00 118.33 109.38 3kno n VAL 5 Ca 0.00 -0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 3kno n VAL 5 Cb 0.00 -0.65 0.00 0.00 -1.06 0.00 0.00 33.84 32.13 3kno n VAL 5 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 3kno n PRO 6 N 2.23 0.85 0.00 1.45 -0.04 -1.26 -5.13 135.00 133.09 3kno n PRO 6 Ca 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 3kno n PRO 6 Cb 0.17 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.63 3kno n PRO 6 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3kno n LYS 7 N -0.32 2.19 -0.03 0.54 4.01 -1.26 -4.98 118.16 118.32 3kno n LYS 7 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3kno n LYS 7 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 3kno n LYS 7 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 3kno n GLN 8 N 0.00 0.00 -1.67 1.97 1.13 -1.26 -4.81 117.38 112.74 3kno n GLN 8 Ca 0.00 0.00 -0.48 0.00 -1.94 0.00 0.00 57.00 54.58 3kno n GLN 8 Cb 0.00 -0.22 -0.05 0.00 0.11 0.00 0.00 30.24 30.09 3kno n GLN 8 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3kno n VAL 9 N 0.62 0.24 -2.01 5.09 0.31 -1.26 -4.91 118.33 116.41 3kno n VAL 9 Ca 0.00 -0.04 -0.33 0.00 -0.01 0.00 0.00 64.34 63.96 3kno n VAL 9 Cb 0.00 -1.59 0.02 0.00 -0.91 0.00 0.00 33.84 31.36 3kno n VAL 9 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3kno s GLU 10 N 2.21 3.21 -0.71 5.55 2.56 -1.26 -4.93 118.70 125.33 3kno s GLU 10 Ca 0.86 1.28 -0.26 0.00 0.00 0.00 0.00 54.97 56.85 3kno s GLU 10 Cb -0.73 -2.01 -0.06 0.00 2.00 0.00 0.00 34.13 33.33 3kno s GLU 10 CO 0.45 -0.91 2.09 -1.25 -0.56 0.00 0.00 175.26 175.09 3kno s PRO 11 N -4.00 2.32 -1.16 4.30 0.04 -1.26 -4.92 135.00 130.31 3kno s PRO 11 Ca 0.65 0.47 -0.20 0.00 0.04 0.00 0.00 61.00 61.97 3kno s PRO 11 Cb -0.18 -4.70 0.07 0.00 0.04 0.00 0.00 34.50 29.74 3kno s PRO 11 CO 0.37 -3.33 1.57 0.50 0.04 0.00 0.00 177.00 176.15 3kno s ARG 12 N 7.59 3.82 0.87 4.56 6.06 -1.26 -4.93 118.95 135.66 3kno s ARG 12 Ca 0.78 -1.69 -0.14 0.00 -2.50 0.00 0.00 55.73 52.19 3kno s ARG 12 Cb -0.12 -5.40 0.02 0.00 0.06 0.00 0.00 34.95 29.51 3kno s ARG 12 CO 0.13 -2.18 0.57 0.91 -2.50 0.00 0.00 175.30 172.23 3kno n TRP 13 N 8.29 -0.85 -3.79 5.12 7.02 -1.26 -3.95 117.44 128.01 3kno n TRP 13 Ca 0.41 0.29 -0.13 0.00 -1.02 0.00 0.00 57.50 57.05 3kno n TRP 13 Cb 0.48 -1.87 -0.12 0.00 -2.42 0.00 0.00 31.31 27.38 3kno n TRP 13 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 3kno s VAL 14 N -2.23 -0.00 0.04 -0.99 1.01 -0.91 -3.63 120.40 113.69 3kno s VAL 14 Ca 0.62 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.63 3kno s VAL 14 Cb -0.26 -0.30 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 3kno s VAL 14 CO 0.62 0.01 0.04 -0.22 0.00 0.00 0.00 175.10 175.55 3kno s LEU 15 N 0.21 3.66 0.06 3.92 1.98 -1.25 -1.26 118.68 126.00 3kno s LEU 15 Ca -0.01 -0.01 -0.27 0.00 -2.89 0.00 0.00 54.13 50.96 3kno s LEU 15 Cb -0.02 -2.22 0.09 0.00 0.66 0.00 0.00 46.19 44.69 3kno s LEU 15 CO -0.00 0.23 0.79 -0.51 -1.89 0.00 0.00 176.35 174.97 3kno s ILE 16 N -1.23 0.00 0.00 6.68 2.07 -0.96 -0.95 121.20 126.81 3kno s ILE 16 Ca 0.24 -0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.44 3kno s ILE 16 Cb -0.12 -1.05 0.00 0.00 0.13 0.00 0.00 42.46 41.43 3kno s ILE 16 CO 0.15 0.00 0.00 -0.67 -1.91 0.00 0.00 174.94 172.51 3kno n ASP 17 N -0.30 0.00 -1.77 4.50 -0.08 -1.26 -1.76 116.55 115.89 3kno n ASP 17 Ca -0.11 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.25 3kno n ASP 17 Cb 0.63 0.00 0.39 0.00 2.34 0.00 0.00 41.12 44.48 3kno n ASP 17 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3kno n ALA 18 N 0.00 3.56 0.00 -1.67 0.00 -1.26 -4.90 120.51 116.24 3kno n ALA 18 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 53.44 51.63 3kno n ALA 18 Cb 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3kno n ALA 18 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3kno n GLU 19 N 0.82 0.00 -0.08 0.00 0.28 -1.26 0.79 120.64 121.19 3kno n GLU 19 Ca 0.27 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.27 3kno n GLU 19 Cb 1.08 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.95 3kno n GLU 19 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3kno n GLY 20 N 0.00 0.96 3.63 -1.84 0.00 -1.26 -1.94 105.19 104.74 3kno n GLY 20 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3kno n GLY 20 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kno s LYS 21 N 0.88 2.86 -0.01 1.61 2.20 0.24 -4.42 119.74 123.09 3kno s LYS 21 Ca 0.00 -0.48 -0.33 0.00 -0.36 0.00 0.00 55.97 54.80 3kno s LYS 21 Cb 0.00 -2.68 -0.11 0.00 -1.51 0.00 0.00 37.83 33.52 3kno s LYS 21 CO 0.00 0.68 1.86 0.25 -0.36 0.00 0.00 175.35 177.78 3kno n THR 22 N 2.19 0.53 -2.24 3.43 -2.24 -1.23 -2.48 114.28 112.24 3kno n THR 22 Ca -0.18 -0.10 -0.35 0.00 -2.27 0.00 0.00 64.05 61.15 3kno n THR 22 Cb 0.53 -1.96 0.00 0.00 -2.10 0.00 0.00 70.33 66.81 3kno n THR 22 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 3kno s LEU 23 N 3.65 3.73 0.00 3.22 2.34 -1.05 -2.43 118.68 128.14 3kno s LEU 23 Ca 0.89 2.16 0.00 0.00 0.06 0.00 0.00 54.13 57.24 3kno s LEU 23 Cb -0.61 -4.58 0.00 0.00 -0.56 0.00 0.00 46.19 40.44 3kno s LEU 23 CO 0.46 -1.23 0.00 0.61 -1.06 0.00 0.00 176.35 175.13 3kno n GLY 24 N 0.11 2.34 0.27 -3.48 0.00 -1.26 -4.45 105.19 98.71 3kno n GLY 24 Ca 0.11 -0.45 0.13 0.00 0.00 0.00 0.00 46.02 45.82 3kno n GLY 24 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kno h ARG 25 N 0.00 0.00 0.00 1.61 2.47 -1.96 -0.89 114.38 115.62 3kno h ARG 25 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3kno h ARG 25 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3kno h ARG 25 CO 0.00 0.08 -0.35 -0.11 0.56 0.00 0.00 179.97 180.15 3kno n LEU 26 N -3.75 1.24 0.07 3.04 7.94 -1.02 -4.37 117.00 120.15 3kno n LEU 26 Ca -0.02 0.51 0.21 0.00 -1.11 0.00 0.00 56.01 55.60 3kno n LEU 26 Cb 0.18 -0.75 0.71 0.00 0.53 0.00 0.00 43.42 44.09 3kno n LEU 26 CO 0.29 -0.48 1.19 0.00 -1.11 0.00 0.00 177.39 177.28 3kno h ALA 27 N -1.31 2.16 -0.59 1.96 0.00 -1.84 0.42 119.26 120.06 3kno h ALA 27 Ca 0.00 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.05 3kno h ALA 27 Cb 0.35 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3kno h ALA 27 CO 0.00 -0.76 0.42 0.00 0.00 0.00 0.00 179.25 178.91 3kno h THR 28 N 0.00 0.73 0.10 0.00 1.03 -1.36 0.70 112.91 114.12 3kno h THR 28 Ca 0.22 -0.02 -0.22 0.00 -0.01 0.00 0.00 66.41 66.37 3kno h THR 28 Cb 1.27 0.66 0.00 0.00 -1.07 0.00 0.00 68.15 69.00 3kno h THR 28 CO -0.00 0.01 -1.09 0.11 -0.01 0.00 0.00 175.52 174.54 3kno h LYS 29 N 0.07 0.22 0.00 0.00 1.57 -0.40 -2.62 116.57 115.40 3kno h LYS 29 Ca 0.28 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3kno h LYS 29 Cb 1.03 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3kno h LYS 29 CO -0.02 1.18 0.02 -0.89 -0.57 0.00 0.00 179.45 179.16 3kno n ILE 30 N -4.09 1.67 -0.12 1.86 5.41 0.50 0.26 119.36 124.86 3kno n ILE 30 Ca -0.21 0.43 -0.25 0.00 1.00 0.00 0.00 62.75 63.73 3kno n ILE 30 Cb 0.82 -1.43 -0.10 0.00 -0.71 0.00 0.00 39.64 38.22 3kno n ILE 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kno n ALA 31 N -1.42 0.98 0.26 -1.39 0.00 0.21 -2.22 120.51 116.93 3kno n ALA 31 Ca 0.00 -0.80 0.10 0.00 0.00 0.00 0.00 53.44 52.75 3kno n ALA 31 Cb 0.02 -0.19 0.69 0.00 0.00 0.00 0.00 19.45 19.97 3kno n ALA 31 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3kno h THR 32 N -1.00 0.79 0.20 0.00 2.02 -0.38 -2.29 112.91 112.25 3kno h THR 32 Ca -0.50 -0.40 -0.30 0.00 0.77 0.00 0.00 66.41 65.98 3kno h THR 32 Cb 1.42 1.24 0.03 0.00 -1.74 0.00 0.00 68.15 69.09 3kno h THR 32 CO -0.30 0.10 -1.35 -0.07 0.37 0.00 0.00 175.52 174.27 3kno h LEU 33 N 0.00 0.67 -0.63 2.58 4.07 0.35 -3.01 115.31 119.34 3kno h LEU 33 Ca -0.00 -0.93 0.04 0.00 0.08 0.00 0.00 57.88 57.07 3kno h LEU 33 Cb 0.23 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 41.71 3kno h LEU 33 CO 0.01 1.64 0.37 0.25 -1.08 0.00 0.00 178.44 179.63 3kno h LEU 34 N -0.04 0.59 -9.80 1.67 7.12 -0.94 -3.06 115.31 110.85 3kno h LEU 34 Ca -0.25 0.01 -0.63 0.00 0.13 0.00 0.00 57.88 57.14 3kno h LEU 34 Cb 1.99 -0.11 -0.05 0.00 -0.53 0.00 0.00 40.66 41.96 3kno h LEU 34 CO 0.21 0.40 -0.43 0.00 -0.13 0.00 0.00 178.44 178.49 3kno s ARG 35 N -6.12 3.52 0.00 1.25 1.70 -1.05 -3.63 118.95 114.62 3kno s ARG 35 Ca -0.13 -0.19 0.00 0.00 -0.47 0.00 0.00 55.73 54.94 3kno s ARG 35 Cb 0.15 -3.07 0.00 0.00 -0.57 0.00 0.00 34.95 31.45 3kno s ARG 35 CO 0.76 0.65 0.21 0.41 -1.08 0.00 0.00 175.30 176.24 3kno n GLY 36 N 0.97 0.42 0.05 3.88 0.00 -1.00 -4.22 105.19 105.29 3kno n GLY 36 Ca -0.10 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.93 3kno n GLY 36 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kno n LYS 37 N 0.96 0.03 -0.09 1.61 4.81 -1.14 -1.50 118.16 122.83 3kno n LYS 37 Ca 0.00 0.37 -0.22 0.00 -0.87 0.00 0.00 58.31 57.59 3kno n LYS 37 Cb 0.10 -1.81 -0.12 0.00 0.02 0.00 0.00 35.03 33.21 3kno n LYS 37 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 3kno n HIS 38 N -1.51 0.47 -1.05 5.64 1.44 -1.24 -4.96 115.22 114.01 3kno n HIS 38 Ca -0.00 0.13 -0.33 0.00 -2.01 0.00 0.00 57.72 55.51 3kno n HIS 38 Cb 0.24 -1.06 0.13 0.00 0.12 0.00 0.00 29.99 29.42 3kno n HIS 38 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 3kno s ARG 39 N -2.50 1.52 0.00 -1.40 0.52 -0.56 -4.88 118.95 111.64 3kno s ARG 39 Ca -0.32 1.75 0.16 0.00 -0.52 0.00 0.00 55.73 56.80 3kno s ARG 39 Cb 0.09 -1.76 0.66 0.00 0.52 0.00 0.00 34.95 34.46 3kno s ARG 39 CO 0.61 -2.30 1.47 -0.35 0.02 0.00 0.00 175.30 174.75 3kno n PRO 40 N -3.43 1.51 -0.00 3.54 -0.04 -1.26 -3.75 135.00 131.56 3kno n PRO 40 Ca 0.13 -0.78 -0.17 0.00 -0.04 0.00 0.00 63.50 62.64 3kno n PRO 40 Cb 0.51 -1.31 -0.12 0.00 -0.04 0.00 0.00 33.50 32.54 3kno n PRO 40 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3kno h ASP 41 N 1.47 0.41 -0.30 3.54 5.19 -1.90 -3.49 116.42 121.34 3kno h ASP 41 Ca 0.00 -0.80 0.00 0.00 -0.62 0.00 0.00 57.03 55.61 3kno h ASP 41 Cb 0.33 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.71 3kno h ASP 41 CO 0.00 1.15 0.00 1.87 -3.12 0.00 0.00 179.24 179.14 3kno n TRP 42 N -4.31 0.00 -3.90 4.55 -0.00 -1.25 -4.85 117.44 107.69 3kno n TRP 42 Ca -0.11 0.00 -0.30 0.00 -0.00 0.00 0.00 57.50 57.09 3kno n TRP 42 Cb 0.63 -0.06 -0.14 0.00 -0.00 0.00 0.00 31.31 31.75 3kno n TRP 42 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 3kno s THR 43 N 0.00 2.22 0.00 5.87 2.01 -1.26 -4.98 115.64 119.50 3kno s THR 43 Ca 0.00 -2.96 0.00 0.00 0.31 0.00 0.00 61.69 59.04 3kno s THR 43 Cb 0.00 -2.56 0.00 0.00 0.01 0.00 0.00 72.50 69.95 3kno s THR 43 CO 0.00 -0.79 0.00 -0.81 -0.69 0.00 0.00 174.62 172.33 3kno n PRO 44 N 3.41 0.00 -0.55 4.92 -0.04 -1.26 -2.10 135.00 139.38 3kno n PRO 44 Ca 0.05 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.51 3kno n PRO 44 Cb 0.34 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.31 3kno n PRO 44 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3kno n ASN 45 N 1.23 -0.10 0.00 3.54 0.23 -1.26 -5.02 115.26 113.88 3kno n ASN 45 Ca 0.00 -1.09 0.00 0.00 -0.53 0.00 0.00 54.58 52.96 3kno n ASN 45 Cb 0.00 0.03 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 3kno n ASN 45 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 3kno n VAL 46 N 0.00 0.00 -0.09 3.53 3.14 -0.89 -5.11 118.33 118.90 3kno n VAL 46 Ca -0.03 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.35 3kno n VAL 46 Cb 0.52 -0.29 0.00 0.00 -1.06 0.00 0.00 33.84 33.00 3kno n VAL 46 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3kno n ALA 47 N -2.04 -0.05 -3.38 1.55 0.00 -1.26 -5.07 120.51 110.26 3kno n ALA 47 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 3kno n ALA 47 Cb 0.25 -0.02 -0.07 0.00 0.00 0.00 0.00 19.45 19.60 3kno n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kno n MET 48 N -0.08 2.65 -4.44 0.00 0.00 -1.26 -4.99 117.12 108.99 3kno n MET 48 Ca 0.00 -4.68 -0.23 0.00 0.00 0.00 0.00 57.70 52.79 3kno n MET 48 Cb 0.03 -2.27 -0.16 0.00 0.00 0.00 0.00 33.22 30.82 3kno n MET 48 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3kno s GLY 49 N -2.51 0.65 -0.40 3.17 0.00 -1.24 -2.37 107.32 104.62 3kno s GLY 49 Ca 0.40 -0.30 -0.41 0.00 0.00 0.00 0.00 44.72 44.41 3kno s GLY 49 CO -0.01 0.17 1.97 1.22 0.00 0.00 0.00 173.10 176.45 3kno n ASP 50 N 3.79 1.63 -4.53 1.64 9.92 -1.15 -4.74 116.55 123.10 3kno n ASP 50 Ca -0.23 0.78 -0.38 0.00 -0.53 0.00 0.00 54.79 54.43 3kno n ASP 50 Cb 0.52 -1.06 -0.07 0.00 -0.64 0.00 0.00 41.12 39.87 3kno n ASP 50 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3kno n PHE 51 N 7.10 1.16 -2.59 1.24 3.01 -1.25 -4.31 117.46 121.82 3kno n PHE 51 Ca 0.40 0.21 -0.42 0.00 1.01 0.00 0.00 57.45 58.65 3kno n PHE 51 Cb 0.08 -2.55 -0.03 0.00 -0.01 0.00 0.00 39.48 36.97 3kno n PHE 51 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3kno s VAL 52 N 10.94 4.55 -0.20 -4.37 1.01 -1.18 -2.13 120.40 129.02 3kno s VAL 52 Ca 1.11 1.84 0.02 0.00 0.00 0.00 0.00 61.98 64.94 3kno s VAL 52 Cb -0.56 -4.18 0.03 0.00 0.00 0.00 0.00 36.38 31.67 3kno s VAL 52 CO 0.35 0.08 -0.18 -0.69 0.00 0.00 0.00 175.10 174.66 3kno s VAL 53 N 1.53 2.08 -0.05 2.92 1.01 -0.39 -1.77 120.40 125.73 3kno s VAL 53 Ca 0.53 -1.12 -0.15 0.00 0.00 0.00 0.00 61.98 61.25 3kno s VAL 53 Cb -0.23 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 3kno s VAL 53 CO 0.24 0.39 0.39 -0.69 0.00 0.00 0.00 175.10 175.43 3kno s VAL 54 N 1.24 5.12 0.34 2.92 1.01 -0.32 -2.27 120.40 128.45 3kno s VAL 54 Ca 0.01 0.78 0.08 0.00 0.00 0.00 0.00 61.98 62.86 3kno s VAL 54 Cb -0.15 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 3kno s VAL 54 CO -0.11 0.52 0.11 0.54 0.00 0.00 0.00 175.10 176.16 3kno s VAL 55 N -0.62 2.95 -0.80 2.92 0.11 -0.72 -1.71 120.40 122.53 3kno s VAL 55 Ca 0.23 -1.76 -0.03 0.00 -2.93 0.00 0.00 61.98 57.48 3kno s VAL 55 Cb -0.16 -2.94 0.00 0.00 -1.53 0.00 0.00 36.38 31.76 3kno s VAL 55 CO 0.11 -0.19 0.61 -3.20 -3.33 0.00 0.00 175.10 169.10 3kno n ASN 56 N -1.10 -4.90 -3.57 3.54 4.05 -1.18 -4.72 115.26 107.39 3kno n ASN 56 Ca -0.03 -0.91 0.00 0.00 0.45 0.00 0.00 54.58 54.09 3kno n ASN 56 Cb 0.61 -1.67 0.00 0.00 1.23 0.00 0.00 39.78 39.95 3kno n ASN 56 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3kno n ALA 57 N -2.44 0.00 0.00 5.20 0.00 0.48 -4.64 120.51 119.12 3kno n ALA 57 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3kno n ALA 57 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.14 3kno n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kno n ASP 58 N 0.00 0.00 0.00 0.00 5.75 -1.26 -4.38 116.55 116.66 3kno n ASP 58 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 3kno n ASP 58 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 3kno n ASP 58 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3kno n LYS 59 N 1.56 0.00 -1.15 0.11 4.76 -1.26 -4.75 118.16 117.44 3kno n LYS 59 Ca 0.00 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.07 3kno n LYS 59 Cb 0.00 -1.20 -0.00 0.00 -1.84 0.00 0.00 35.03 31.99 3kno n LYS 59 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3kno n ILE 60 N 0.00 0.50 -4.03 -0.18 5.41 -0.82 -4.21 119.36 116.03 3kno n ILE 60 Ca 0.00 -0.44 -0.30 0.00 1.00 0.00 0.00 62.75 63.00 3kno n ILE 60 Cb 0.00 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 38.87 3kno n ILE 60 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 3kno s ARG 61 N -0.89 2.98 -0.08 0.38 1.81 -1.04 -4.86 118.95 117.26 3kno s ARG 61 Ca 0.52 -0.66 -0.03 0.00 -1.72 0.00 0.00 55.73 53.84 3kno s ARG 61 Cb -0.55 -2.77 0.04 0.00 -0.45 0.00 0.00 34.95 31.22 3kno s ARG 61 CO 0.56 0.57 0.17 0.54 -0.68 0.00 0.00 175.30 176.45 3kno s VAL 62 N -1.44 -0.16 1.05 3.52 0.11 -1.26 -2.53 120.40 119.69 3kno s VAL 62 Ca 0.30 0.26 -0.14 0.00 -2.93 0.00 0.00 61.98 59.48 3kno s VAL 62 Cb -0.12 -0.29 0.21 0.00 -1.53 0.00 0.00 36.38 34.65 3kno s VAL 62 CO 0.23 0.11 0.46 0.41 -3.33 0.00 0.00 175.10 172.98 3kno n THR 63 N 4.77 0.00 0.00 5.04 -1.04 -1.26 -4.70 114.28 117.09 3kno n THR 63 Ca -0.16 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 3kno n THR 63 Cb 0.51 -0.55 0.00 0.00 -1.82 0.00 0.00 70.33 68.47 3kno n THR 63 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kno n GLY 64 N 2.39 0.82 1.45 3.41 0.00 -1.26 -2.69 105.19 109.31 3kno n GLY 64 Ca 0.07 -0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.17 3kno n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kno n LYS 65 N 4.69 4.03 0.00 1.61 4.01 -1.26 -4.74 118.16 126.49 3kno n LYS 65 Ca 0.00 -3.02 0.00 0.00 -0.51 0.00 0.00 58.31 54.78 3kno n LYS 65 Cb 0.00 -2.08 0.00 0.00 -0.51 0.00 0.00 35.03 32.44 3kno n LYS 65 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 3kno n LYS 66 N 0.14 0.00 -3.88 1.97 5.02 -1.10 -3.53 118.16 116.79 3kno n LYS 66 Ca 0.25 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.19 3kno n LYS 66 Cb 1.06 -1.14 -0.13 0.00 -0.02 0.00 0.00 35.03 34.80 3kno n LYS 66 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3kno s LEU 67 N -0.76 4.22 0.00 -0.35 1.02 -1.26 -3.34 118.68 118.20 3kno s LEU 67 Ca 0.00 -1.45 0.00 0.00 0.02 0.00 0.00 54.13 52.70 3kno s LEU 67 Cb 0.00 -1.74 0.00 0.00 0.02 0.00 0.00 46.19 44.47 3kno s LEU 67 CO 0.00 -0.32 0.00 -0.62 0.02 0.00 0.00 176.35 175.43 3kno n GLU 68 N 4.61 0.00 0.16 1.70 -0.58 -1.23 -4.81 120.64 120.48 3kno n GLU 68 Ca -0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 3kno n GLU 68 Cb 0.43 -1.89 0.00 0.00 -0.57 0.00 0.00 31.44 29.41 3kno n GLU 68 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3kno n GLN 69 N -0.41 0.00 -2.03 3.49 1.13 -1.23 -5.03 117.38 113.30 3kno n GLN 69 Ca 0.00 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.65 3kno n GLN 69 Cb 0.38 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.70 3kno n GLN 69 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 3kno s LYS 70 N -2.00 4.27 -0.03 -1.09 2.47 -1.21 -4.98 119.74 117.17 3kno s LYS 70 Ca 0.00 2.27 0.01 0.00 -1.56 0.00 0.00 55.97 56.69 3kno s LYS 70 Cb 0.00 -3.13 0.03 0.00 -1.46 0.00 0.00 37.83 33.26 3kno s LYS 70 CO 0.00 -0.43 -0.01 0.42 0.16 0.00 0.00 175.35 175.49 3kno s ILE 71 N 0.24 0.24 0.11 5.43 1.01 -1.26 -2.51 121.20 124.46 3kno s ILE 71 Ca 0.61 0.04 -0.09 0.00 0.00 0.00 0.00 60.65 61.21 3kno s ILE 71 Cb -0.41 -0.32 -0.06 0.00 0.01 0.00 0.00 42.46 41.68 3kno s ILE 71 CO 0.40 0.16 0.42 -0.31 0.00 0.00 0.00 174.94 175.60 3kno s TYR 72 N 0.96 3.55 0.09 3.97 1.51 0.25 -4.92 117.35 122.75 3kno s TYR 72 Ca -0.10 0.76 0.07 0.00 -1.01 0.00 0.00 57.07 56.79 3kno s TYR 72 Cb -0.14 -2.15 -0.03 0.00 -0.11 0.00 0.00 41.96 39.54 3kno s TYR 72 CO -0.01 0.47 -0.18 0.99 -1.11 0.00 0.00 175.55 175.71 3kno s THR 73 N -1.49 1.48 0.06 -0.71 2.01 -1.26 -2.52 115.64 113.21 3kno s THR 73 Ca 0.36 -1.45 -0.08 0.00 0.31 0.00 0.00 61.69 60.83 3kno s THR 73 Cb -0.13 -1.37 -0.00 0.00 0.01 0.00 0.00 72.50 71.01 3kno s THR 73 CO 0.20 -0.12 0.18 -0.13 -0.69 0.00 0.00 174.62 174.05 3kno s ARG 74 N -1.83 0.74 -0.24 4.92 0.52 -1.25 -5.00 118.95 116.81 3kno s ARG 74 Ca 0.03 -0.80 -0.02 0.00 -0.52 0.00 0.00 55.73 54.42 3kno s ARG 74 Cb -0.10 0.30 0.08 0.00 0.52 0.00 0.00 34.95 35.75 3kno s ARG 74 CO 0.03 -0.22 0.06 -0.47 0.02 0.00 0.00 175.30 174.73 3kno s TYR 75 N -3.16 1.26 1.15 -0.53 5.04 -1.26 -1.34 117.35 118.51 3kno s TYR 75 Ca -0.00 -1.20 -0.15 0.00 -2.44 0.00 0.00 57.07 53.27 3kno s TYR 75 Cb 0.02 -1.27 0.21 0.00 0.35 0.00 0.00 41.96 41.26 3kno s TYR 75 CO -0.07 -0.73 0.59 0.43 -1.34 0.00 0.00 175.55 174.43 3kno n SER 76 N 4.98 -1.99 -0.05 4.32 7.64 -0.10 -4.88 113.62 123.55 3kno n SER 76 Ca -0.06 -0.13 -0.13 0.00 1.01 0.00 0.00 58.87 59.56 3kno n SER 76 Cb 0.45 -1.14 -0.07 0.00 -1.01 0.00 0.00 64.21 62.43 3kno n SER 76 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3kno h GLY 77 N -2.40 0.35 -2.10 0.23 0.00 -2.00 -3.44 103.07 93.69 3kno h GLY 77 Ca -0.58 -0.37 -0.54 0.00 0.00 0.00 0.00 47.33 45.84 3kno h GLY 77 CO 0.44 0.33 -0.30 -1.72 0.00 0.00 0.00 176.54 175.29 3kno n TYR 78 N -4.58 -0.58 -2.22 5.60 4.02 -1.26 -4.91 117.16 113.24 3kno n TYR 78 Ca -0.06 0.32 -0.42 0.00 -0.01 0.00 0.00 57.90 57.72 3kno n TYR 78 Cb 0.36 -1.91 -0.03 0.00 -0.02 0.00 0.00 39.34 37.75 3kno n TYR 78 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 3kno s PRO 79 N -3.43 4.26 0.00 -0.72 0.02 -1.26 -2.10 135.00 131.78 3kno s PRO 79 Ca 0.64 1.96 0.00 0.00 0.02 0.00 0.00 61.00 63.61 3kno s PRO 79 Cb -0.28 -3.67 0.00 0.00 0.02 0.00 0.00 34.50 30.57 3kno s PRO 79 CO 0.60 -0.64 0.00 0.41 -0.33 0.00 0.00 177.00 177.05 3kno n GLY 80 N 3.71 0.85 1.17 0.52 0.00 -1.26 -4.96 105.19 105.21 3kno n GLY 80 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 3kno n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kno n GLY 81 N -2.30 2.39 3.72 -0.02 0.00 -0.89 -4.89 105.19 103.20 3kno n GLY 81 Ca 0.00 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 3kno n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kno s LEU 82 N -0.87 4.43 -0.22 0.99 2.96 -1.26 -0.92 118.68 123.80 3kno s LEU 82 Ca 0.16 1.64 -0.07 0.00 -0.22 0.00 0.00 54.13 55.64 3kno s LEU 82 Cb 0.13 -3.48 -0.04 0.00 0.50 0.00 0.00 46.19 43.30 3kno s LEU 82 CO 0.04 -0.12 0.07 -0.54 -1.32 0.00 0.00 176.35 174.48 3kno s LYS 83 N 0.39 3.81 -0.50 1.98 -0.14 -0.45 -5.00 119.74 119.84 3kno s LYS 83 Ca 0.46 -0.41 -0.07 0.00 -1.36 0.00 0.00 55.97 54.59 3kno s LYS 83 Cb -0.22 -3.28 0.13 0.00 -1.68 0.00 0.00 37.83 32.78 3kno s LYS 83 CO 0.27 0.03 0.35 0.15 -0.76 0.00 0.00 175.35 175.39 3kno s LYS 84 N 1.05 2.43 -0.17 1.68 -0.14 -1.26 -3.90 119.74 119.43 3kno s LYS 84 Ca 0.04 -1.93 0.00 0.00 -1.36 0.00 0.00 55.97 52.72 3kno s LYS 84 Cb -0.14 -3.84 0.03 0.00 -1.68 0.00 0.00 37.83 32.20 3kno s LYS 84 CO 0.03 -1.17 -0.11 0.42 -0.76 0.00 0.00 175.35 173.77 3kno s ILE 85 N 1.03 1.48 0.00 2.17 1.01 -1.05 -5.00 121.20 120.84 3kno s ILE 85 Ca 0.09 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.99 3kno s ILE 85 Cb -0.24 -1.50 0.00 0.00 0.01 0.00 0.00 42.46 40.73 3kno s ILE 85 CO -0.02 0.29 0.00 -2.65 0.00 0.00 0.00 174.94 172.56 3kno n PRO 86 N 4.77 1.24 -0.13 2.79 -0.02 -1.26 0.87 135.00 143.25 3kno n PRO 86 Ca -0.15 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.07 3kno n PRO 86 Cb 0.48 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.86 3kno n PRO 86 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3kno n LEU 87 N 0.00 2.22 -0.25 2.45 0.00 -1.04 -3.88 117.00 116.49 3kno n LEU 87 Ca 0.00 0.22 -0.08 0.00 0.00 0.00 0.00 56.01 56.16 3kno n LEU 87 Cb 0.00 -0.86 -0.07 0.00 0.00 0.00 0.00 43.42 42.50 3kno n LEU 87 CO 0.00 0.66 0.49 -0.33 0.00 0.00 0.00 177.39 178.21 3kno h GLU 88 N -0.73 -0.04 -0.36 1.96 5.08 -1.87 0.85 114.58 119.47 3kno h GLU 88 Ca -0.65 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 57.75 3kno h GLU 88 Cb 1.68 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.90 3kno h GLU 88 CO -0.33 -0.03 0.13 0.87 -1.00 0.00 0.00 179.01 178.65 3kno h LYS 89 N -0.04 0.27 -0.98 2.33 1.79 -1.96 0.35 116.57 118.33 3kno h LYS 89 Ca 0.10 -0.02 0.16 0.00 -2.18 0.00 0.00 60.65 58.72 3kno h LYS 89 Cb 0.29 -0.06 -0.09 0.00 -1.58 0.00 0.00 32.23 30.79 3kno h LYS 89 CO -0.60 0.18 0.61 0.52 -1.08 0.00 0.00 179.45 179.09 3kno h MET 90 N 0.28 0.77 0.10 3.15 2.86 -1.35 -1.13 114.93 119.61 3kno h MET 90 Ca 0.16 -0.05 -0.28 0.00 -2.06 0.00 0.00 59.70 57.48 3kno h MET 90 Cb 0.13 -0.17 0.02 0.00 0.06 0.00 0.00 31.60 31.64 3kno h MET 90 CO -0.16 0.51 -1.19 -0.07 1.06 0.00 0.00 176.91 177.06 3kno h LEU 91 N 0.79 0.68 -2.24 1.22 3.38 0.06 -2.85 115.31 116.36 3kno h LEU 91 Ca 0.52 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3kno h LEU 91 Cb 0.77 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3kno h LEU 91 CO -0.30 1.46 0.01 0.00 0.09 0.00 0.00 178.44 179.71 3kno h ALA 92 N 0.46 1.01 -1.53 1.53 0.00 0.88 -3.34 119.26 118.27 3kno h ALA 92 Ca -0.15 0.00 0.11 0.00 0.00 0.00 0.00 54.91 54.87 3kno h ALA 92 Cb 1.86 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 19.42 3kno h ALA 92 CO 0.21 -0.01 0.12 -0.08 0.00 0.00 0.00 179.25 179.50 3kno s THR 93 N -3.87 -0.49 -0.02 0.00 -1.32 -0.78 -4.94 115.64 104.23 3kno s THR 93 Ca -0.04 0.00 -0.00 0.00 -1.21 0.00 0.00 61.69 60.44 3kno s THR 93 Cb 0.10 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.09 3kno s THR 93 CO 0.31 0.00 0.02 1.41 -2.21 0.00 0.00 174.62 174.14 3kno n HIS 94 N 4.78 -0.04 0.28 9.09 8.25 -1.22 -4.44 115.22 131.91 3kno n HIS 94 Ca -0.13 0.02 0.12 0.00 -0.26 0.00 0.00 57.72 57.46 3kno n HIS 94 Cb 0.53 -1.06 0.79 0.00 1.12 0.00 0.00 29.99 31.37 3kno n HIS 94 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3kno h PRO 95 N -0.04 0.00 0.00 -0.41 0.13 -1.63 -2.89 132.00 127.16 3kno h PRO 95 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3kno h PRO 95 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 3kno h PRO 95 CO 0.01 0.02 0.00 -0.85 -0.23 0.00 0.00 178.00 176.95 3kno n GLU 96 N -4.08 0.01 0.11 0.86 0.00 -1.26 -1.92 120.64 114.37 3kno n GLU 96 Ca -0.03 0.34 -0.18 0.00 0.00 0.00 0.00 57.16 57.30 3kno n GLU 96 Cb 0.11 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 29.90 3kno n GLU 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3kno h ARG 97 N 0.00 0.33 -1.07 3.44 3.08 -1.86 -2.13 114.38 116.17 3kno h ARG 97 Ca 0.00 -0.56 0.31 0.00 0.07 0.00 0.00 59.98 59.80 3kno h ARG 97 Cb 0.13 0.21 -0.05 0.00 0.08 0.00 0.00 29.97 30.34 3kno h ARG 97 CO 0.00 1.27 0.76 0.28 -1.07 0.00 0.00 179.97 181.21 3kno h VAL 98 N 0.09 0.47 0.00 2.04 2.07 -1.58 0.29 116.25 119.63 3kno h VAL 98 Ca -0.16 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.35 3kno h VAL 98 Cb 2.02 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 3kno h VAL 98 CO 0.22 0.00 -0.01 -0.11 0.02 0.00 0.00 177.57 177.69 3kno n LEU 99 N -4.24 0.02 -0.23 2.57 -0.00 -1.22 -3.61 117.00 110.29 3kno n LEU 99 Ca 0.23 0.10 0.07 0.00 -0.00 0.00 0.00 56.01 56.41 3kno n LEU 99 Cb 1.12 -0.50 0.15 0.00 -0.00 0.00 0.00 43.42 44.18 3kno n LEU 99 CO 0.39 -0.50 0.48 -0.62 -0.00 0.00 0.00 177.39 177.15 3kno n GLU 100 N -2.43 -0.06 0.49 1.96 1.02 -0.80 0.22 120.64 121.04 3kno n GLU 100 Ca -0.00 1.01 -0.20 0.00 -0.02 0.00 0.00 57.16 57.94 3kno n GLU 100 Cb 0.01 -1.55 -0.10 0.00 -0.02 0.00 0.00 31.44 29.77 3kno n GLU 100 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3kno h HIS 101 N 0.00 -1.30 -1.18 -0.32 2.76 -0.64 0.11 115.15 114.58 3kno h HIS 101 Ca 0.36 -0.02 0.35 0.00 -2.20 0.00 0.00 60.37 58.86 3kno h HIS 101 Cb 0.66 0.45 -0.10 0.00 1.55 0.00 0.00 27.41 29.97 3kno h HIS 101 CO -0.42 -0.76 0.78 0.00 -1.30 0.00 0.00 177.93 176.23 3kno h ALA 102 N -1.28 2.56 0.06 5.26 0.00 0.27 -2.53 119.26 123.60 3kno h ALA 102 Ca -0.12 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3kno h ALA 102 Cb 1.01 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3kno h ALA 102 CO 0.17 -1.05 -0.03 0.28 0.00 0.00 0.00 179.25 178.62 3kno h VAL 103 N 0.22 0.27 -0.96 0.00 2.07 0.26 -3.36 116.25 114.75 3kno h VAL 103 Ca 0.68 -1.13 0.17 0.00 0.82 0.00 0.00 66.70 67.25 3kno h VAL 103 Cb 2.05 0.50 -0.17 0.00 -1.52 0.00 0.00 31.29 32.15 3kno h VAL 103 CO -0.30 0.09 -0.32 1.17 0.02 0.00 0.00 177.57 178.23 3kno n LYS 104 N -4.81 -0.16 -0.10 1.57 4.81 -0.03 0.19 118.16 119.62 3kno n LYS 104 Ca -0.02 1.49 0.00 0.00 -0.87 0.00 0.00 58.31 58.91 3kno n LYS 104 Cb 0.10 -2.22 0.00 0.00 0.02 0.00 0.00 35.03 32.93 3kno n LYS 104 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kno n GLY 105 N -1.52 1.12 0.32 3.14 0.00 -1.01 -1.47 105.19 105.76 3kno n GLY 105 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3kno n GLY 105 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3kno n MET 106 N 1.25 0.00 -4.62 1.61 2.81 0.51 -5.03 117.12 113.64 3kno n MET 106 Ca 0.00 -0.27 -0.32 0.00 -1.81 0.00 0.00 57.70 55.30 3kno n MET 106 Cb 0.22 -0.17 -0.07 0.00 -0.71 0.00 0.00 33.22 32.50 3kno n MET 106 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3kno s LEU 107 N 0.00 2.37 1.19 4.03 1.43 -0.55 -4.88 118.68 122.27 3kno s LEU 107 Ca 0.00 -1.59 -0.17 0.00 -1.03 0.00 0.00 54.13 51.34 3kno s LEU 107 Cb 0.00 -0.81 0.26 0.00 0.03 0.00 0.00 46.19 45.67 3kno s LEU 107 CO 0.00 -0.88 0.56 -2.65 0.23 0.00 0.00 176.35 173.61 3kno n PRO 108 N -1.34 -3.25 -0.04 1.29 -0.02 -1.26 -4.95 135.00 125.43 3kno n PRO 108 Ca -0.16 -0.96 0.00 0.00 -2.02 0.00 0.00 63.50 60.36 3kno n PRO 108 Cb 0.67 -1.67 -0.12 0.00 -0.02 0.00 0.00 33.50 32.36 3kno n PRO 108 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3kno n LYS 109 N -3.40 1.01 0.00 -0.52 5.02 -1.26 -4.61 118.16 114.41 3kno n LYS 109 Ca 0.09 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 3kno n LYS 109 Cb 0.45 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 3kno n LYS 109 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kno n GLY 110 N 1.83 0.85 0.35 0.72 0.00 -1.26 -4.81 105.19 102.87 3kno n GLY 110 Ca -0.14 -1.74 -0.10 0.00 0.00 0.00 0.00 46.02 44.04 3kno n GLY 110 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kno h PRO 111 N 0.00 -0.36 -0.47 1.61 0.11 -1.99 -2.35 132.00 128.55 3kno h PRO 111 Ca 0.00 0.02 0.09 0.00 0.11 0.00 0.00 66.00 66.23 3kno h PRO 111 Cb 0.00 0.08 -0.08 0.00 0.11 0.00 0.00 31.00 31.11 3kno h PRO 111 CO 0.00 -0.24 -0.03 1.25 -0.21 0.00 0.00 178.00 178.77 3kno h LEU 112 N -0.38 -0.25 -0.07 2.35 5.85 -1.97 0.10 115.31 120.94 3kno h LEU 112 Ca 0.11 0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.98 3kno h LEU 112 Cb 0.56 0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.75 3kno h LEU 112 CO -0.42 -0.09 -0.50 1.23 -0.34 0.00 0.00 178.44 178.33 3kno h GLY 113 N 0.08 -0.99 1.30 3.75 0.00 -1.69 0.11 103.07 105.64 3kno h GLY 113 Ca 0.23 0.62 0.07 0.00 0.00 0.00 0.00 47.33 48.26 3kno h GLY 113 CO -0.41 -0.22 0.31 3.21 0.00 0.00 0.00 176.54 179.42 3kno h ARG 114 N -0.60 0.32 0.00 4.80 3.08 -0.91 0.15 114.38 121.22 3kno h ARG 114 Ca 0.04 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 3kno h ARG 114 Cb 0.69 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 3kno h ARG 114 CO -0.39 0.21 -0.32 -0.09 -1.07 0.00 0.00 179.97 178.31 3kno h ARG 115 N 0.33 0.00 0.11 0.04 2.43 0.83 -2.92 114.38 115.19 3kno h ARG 115 Ca 0.20 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 3kno h ARG 115 Cb 0.38 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3kno h ARG 115 CO -0.05 0.32 -0.05 -0.07 -1.51 0.00 0.00 179.97 178.61 3kno h LEU 116 N 0.00 -0.13 -0.83 3.80 3.38 0.17 -3.30 115.31 118.40 3kno h LEU 116 Ca -0.00 -0.44 0.20 0.00 0.09 0.00 0.00 57.88 57.73 3kno h LEU 116 Cb 0.76 0.03 -0.13 0.00 0.09 0.00 0.00 40.66 41.41 3kno h LEU 116 CO 0.04 0.49 0.23 0.15 0.09 0.00 0.00 178.44 179.44 3kno h PHE 117 N -0.87 0.35 0.00 1.13 3.57 -1.27 0.83 116.94 120.68 3kno h PHE 117 Ca -0.02 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3kno h PHE 117 Cb 0.55 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.27 3kno h PHE 117 CO 0.11 -0.14 0.12 1.63 -2.23 0.00 0.00 178.31 177.80 3kno n LYS 118 N -5.18 0.00 -0.95 1.11 5.02 -1.11 -0.57 118.16 116.48 3kno n LYS 118 Ca 0.19 0.24 -0.10 0.00 -2.02 0.00 0.00 58.31 56.62 3kno n LYS 118 Cb 0.59 -1.62 0.19 0.00 -0.02 0.00 0.00 35.03 34.17 3kno n LYS 118 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3kno n ARG 119 N -1.19 1.98 -3.94 1.97 5.12 0.29 -4.92 116.66 115.96 3kno n ARG 119 Ca 0.00 -3.19 -0.20 0.00 -1.93 0.00 0.00 57.85 52.53 3kno n ARG 119 Cb 0.12 -1.91 -0.17 0.00 -1.16 0.00 0.00 32.46 29.34 3kno n ARG 119 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3kno s LEU 120 N -3.29 0.98 -0.32 0.55 1.98 0.26 -3.10 118.68 115.74 3kno s LEU 120 Ca 0.48 -0.08 0.02 0.00 -2.89 0.00 0.00 54.13 51.66 3kno s LEU 120 Cb 0.43 -0.37 0.10 0.00 0.66 0.00 0.00 46.19 47.00 3kno s LEU 120 CO 0.02 -0.12 0.06 -0.54 -1.89 0.00 0.00 176.35 173.88 3kno s LYS 121 N 1.36 1.20 -0.46 1.98 3.01 -0.73 -5.01 119.74 121.08 3kno s LYS 121 Ca -0.05 -1.53 -0.15 0.00 -1.01 0.00 0.00 55.97 53.24 3kno s LYS 121 Cb -0.13 -2.72 0.07 0.00 -1.01 0.00 0.00 37.83 34.04 3kno s LYS 121 CO -0.02 -0.94 0.37 0.08 0.51 0.00 0.00 175.35 175.35 3kno s VAL 122 N 1.19 5.11 0.28 3.17 1.01 -1.26 -1.17 120.40 128.73 3kno s VAL 122 Ca 0.10 -1.09 0.07 0.00 0.00 0.00 0.00 61.98 61.06 3kno s VAL 122 Cb -0.18 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 3kno s VAL 122 CO -0.14 -0.56 0.23 -0.31 0.00 0.00 0.00 175.10 174.32 3kno s TYR 123 N 1.62 3.03 -0.49 5.22 1.51 -0.69 -4.76 117.35 122.78 3kno s TYR 123 Ca 0.04 -0.18 -0.06 0.00 -1.01 0.00 0.00 57.07 55.85 3kno s TYR 123 Cb -0.24 -1.54 0.13 0.00 -0.11 0.00 0.00 41.96 40.20 3kno s TYR 123 CO 0.06 0.40 0.34 0.00 -1.11 0.00 0.00 175.55 175.24 3kno s ALA 124 N -2.20 3.38 0.00 3.71 0.00 -1.26 0.18 121.76 125.58 3kno s ALA 124 Ca 0.36 -2.69 0.00 0.00 0.00 0.00 0.00 51.96 49.63 3kno s ALA 124 Cb -0.07 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.34 3kno s ALA 124 CO 0.25 -1.92 0.00 0.41 0.00 0.00 0.00 175.76 174.50 3kno n GLY 125 N 4.55 -0.56 0.00 0.00 0.00 -1.26 -4.65 105.19 103.27 3kno n GLY 125 Ca -0.03 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3kno n GLY 125 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kno n PRO 126 N -0.69 0.00 -3.80 1.61 -0.04 -1.26 -4.63 135.00 126.18 3kno n PRO 126 Ca 0.00 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 3kno n PRO 126 Cb 0.00 -0.37 0.01 0.00 -0.04 0.00 0.00 33.50 33.11 3kno n PRO 126 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3kno n ASP 127 N 0.00 -2.52 -4.56 3.54 9.92 -1.26 -3.84 116.55 117.84 3kno n ASP 127 Ca 0.00 -0.98 -0.38 0.00 -0.53 0.00 0.00 54.79 52.90 3kno n ASP 127 Cb 0.00 -3.34 -0.03 0.00 -0.64 0.00 0.00 41.12 37.11 3kno n ASP 127 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 3kno s HIS 128 N -3.71 1.36 0.18 1.24 -3.43 -1.26 -4.83 115.29 104.85 3kno s HIS 128 Ca 0.20 1.13 -0.23 0.00 -0.80 0.00 0.00 55.06 55.35 3kno s HIS 128 Cb -0.07 -3.84 0.08 0.00 -1.43 0.00 0.00 32.58 27.32 3kno s HIS 128 CO 0.87 -2.58 1.57 -1.00 -2.00 0.00 0.00 174.74 171.59 3kno h PRO 129 N 16.99 -0.16 -6.30 -0.38 0.13 -1.99 -3.39 132.00 136.90 3kno h PRO 129 Ca -0.27 0.01 -0.55 0.00 -0.87 0.00 0.00 66.00 64.33 3kno h PRO 129 Cb 1.22 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 3kno h PRO 129 CO 1.16 -0.11 1.01 -3.38 -0.23 0.00 0.00 178.00 176.45 3kno s HIS 130 N -5.88 2.30 -0.43 1.56 -3.43 -1.26 -4.96 115.29 103.20 3kno s HIS 130 Ca -0.14 0.42 0.04 0.00 -0.80 0.00 0.00 55.06 54.58 3kno s HIS 130 Cb 0.15 -3.83 0.11 0.00 -1.43 0.00 0.00 32.58 27.59 3kno s HIS 130 CO 0.67 -3.34 0.15 -1.14 -2.00 0.00 0.00 174.74 169.08 3kno s GLN 131 N 3.48 1.73 -0.34 -0.38 2.00 -1.26 -4.85 119.66 120.03 3kno s GLN 131 Ca 0.69 -2.22 0.16 0.00 -2.00 0.00 0.00 55.36 51.99 3kno s GLN 131 Cb -0.32 -3.28 0.43 0.00 0.80 0.00 0.00 33.01 30.64 3kno s GLN 131 CO 0.28 -1.02 0.94 0.00 -0.50 0.00 0.00 175.29 174.98 3kno n ALA 132 N 3.74 2.89 0.00 1.58 0.00 -1.26 -5.10 120.51 122.36 3kno n ALA 132 Ca 0.04 -3.02 0.00 0.00 0.00 0.00 0.00 53.44 50.46 3kno n ALA 132 Cb 0.37 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.88 3kno n ALA 132 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3kno n GLN 133 N -0.02 0.00 0.00 0.00 7.27 -1.26 -4.93 117.38 118.44 3kno n GLN 133 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.18 3kno n GLN 133 Cb 0.79 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.44 3kno n GLN 133 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 3kno n ARG 134 N -0.50 0.00 -0.79 3.69 -4.01 -1.26 -4.92 116.66 108.86 3kno n ARG 134 Ca 0.00 0.00 -0.18 0.00 -1.04 0.00 0.00 57.85 56.63 3kno n ARG 134 Cb 0.00 0.00 -0.05 0.00 -3.04 0.00 0.00 32.46 29.37 3kno n ARG 134 CO 0.00 0.00 0.00 -2.30 -3.04 0.00 0.00 177.63 172.29 3kno n PRO 135 N 0.00 0.00 -1.27 2.89 -0.02 -1.24 -3.85 135.00 131.51 3kno n PRO 135 Ca 0.00 -0.41 -0.43 0.00 -2.02 0.00 0.00 63.50 60.64 3kno n PRO 135 Cb 0.00 -1.61 -0.03 0.00 -0.02 0.00 0.00 33.50 31.84 3kno n PRO 135 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kno n GLU 136 N 5.33 0.00 -4.12 -0.52 1.02 -1.26 -3.84 120.64 117.25 3kno n GLU 136 Ca 0.19 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.25 3kno n GLU 136 Cb 0.32 -0.91 -0.10 0.00 -0.02 0.00 0.00 31.44 30.73 3kno n GLU 136 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3kno s LYS 137 N -0.91 0.74 -0.02 3.49 1.02 -0.12 -4.85 119.74 119.09 3kno s LYS 137 Ca 0.58 -1.31 0.07 0.00 0.02 0.00 0.00 55.97 55.33 3kno s LYS 137 Cb -0.83 0.20 -0.02 0.00 -0.52 0.00 0.00 37.83 36.66 3kno s LYS 137 CO 0.51 -0.16 -0.23 -0.51 -0.92 0.00 0.00 175.35 174.04 3kno s LEU 138 N -2.98 2.05 0.00 3.17 1.43 -1.26 -4.47 118.68 116.62 3kno s LEU 138 Ca 0.14 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 3kno s LEU 138 Cb 0.08 -1.21 0.00 0.00 0.03 0.00 0.00 46.19 45.09 3kno s LEU 138 CO -0.05 0.29 0.00 1.21 0.23 0.00 0.00 176.35 178.03