#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k41 n THR 5 N 0.00 0.00 -1.92 0.58 5.66 -1.26 -4.73 114.28 112.62 3k41 n THR 5 Ca 0.00 -0.17 -0.40 0.00 -3.05 0.00 0.00 64.05 60.43 3k41 n THR 5 Cb 0.00 0.07 -0.00 0.00 -1.55 0.00 0.00 70.33 68.85 3k41 n THR 5 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3k41 s ASP 7 N -0.45 2.93 0.35 0.00 1.01 -0.26 -4.97 116.67 115.27 3k41 s ASP 7 Ca 0.55 -0.52 -0.17 0.00 0.71 0.00 0.00 52.55 53.12 3k41 s ASP 7 Cb -0.43 -1.20 -0.10 0.00 1.01 0.00 0.00 42.92 42.21 3k41 s ASP 7 CO 0.56 0.17 0.81 -0.76 0.21 0.00 0.00 175.17 176.15 3k41 s LEU 8 N 0.25 4.06 0.09 1.23 1.43 -1.26 -0.74 118.68 123.73 3k41 s LEU 8 Ca -0.15 1.43 0.10 0.00 -1.03 0.00 0.00 54.13 54.48 3k41 s LEU 8 Cb -0.17 -4.18 -0.03 0.00 0.03 0.00 0.00 46.19 41.84 3k41 s LEU 8 CO 0.07 -0.23 -0.25 0.68 0.23 0.00 0.00 176.35 176.85 3k41 s VAL 9 N -1.99 2.07 -1.11 -1.59 -7.23 -0.60 -4.79 120.40 105.16 3k41 s VAL 9 Ca 0.55 -1.54 0.00 0.00 -1.81 0.00 0.00 61.98 59.19 3k41 s VAL 9 Cb -0.11 -1.81 0.00 0.00 0.56 0.00 0.00 36.38 35.02 3k41 s VAL 9 CO 0.17 0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.74 3k41 n GLY 10 N 1.34 0.49 3.72 2.32 0.00 -1.26 -4.80 105.19 107.01 3k41 n GLY 10 Ca -0.18 -2.23 -0.41 0.00 0.00 0.00 0.00 46.02 43.20 3k41 n GLY 10 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3k41 s GLU 11 N -0.56 4.56 0.19 1.61 -1.05 -1.26 -5.01 118.70 117.18 3k41 s GLU 11 Ca 0.00 1.64 -0.30 0.00 -0.15 0.00 0.00 54.97 56.16 3k41 s GLU 11 Cb 0.00 -3.34 -0.08 0.00 -0.44 0.00 0.00 34.13 30.27 3k41 s GLU 11 CO 0.00 -0.02 1.01 -1.59 0.95 0.00 0.00 175.26 175.61 3k41 s LYS 12 N 0.33 4.71 0.00 -4.83 0.00 -1.26 -4.32 119.74 114.36 3k41 s LYS 12 Ca 0.52 1.59 0.00 0.00 0.00 0.00 0.00 55.97 58.08 3k41 s LYS 12 Cb -0.27 -3.29 0.00 0.00 0.00 0.00 0.00 37.83 34.27 3k41 s LYS 12 CO 0.31 0.27 0.00 0.41 0.00 0.00 0.00 175.35 176.34 3k41 n GLY 13 N 1.81 -0.51 0.33 0.59 0.00 -1.26 -4.91 105.19 101.23 3k41 n GLY 13 Ca 0.01 -0.90 0.03 0.00 0.00 0.00 0.00 46.02 45.15 3k41 n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k41 h LYS 14 N 0.00 0.90 -0.40 1.61 1.57 -2.00 -1.12 116.57 117.14 3k41 h LYS 14 Ca 0.00 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 3k41 h LYS 14 Cb 0.00 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 3k41 h LYS 14 CO 0.00 0.60 -0.21 0.93 -0.57 0.00 0.00 179.45 180.20 3k41 h GLU 15 N 0.93 0.86 -0.86 3.15 4.39 -1.93 -2.62 114.58 118.50 3k41 h GLU 15 Ca 0.41 -0.38 0.02 0.00 0.34 0.00 0.00 59.36 59.74 3k41 h GLU 15 Cb 0.29 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.87 3k41 h GLU 15 CO -0.21 1.02 0.57 1.03 -1.16 0.00 0.00 179.01 180.25 3k41 h SER 16 N 0.67 0.97 -0.81 1.42 0.87 -1.62 -2.01 113.55 113.05 3k41 h SER 16 Ca 0.09 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 3k41 h SER 16 Cb 0.77 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 62.45 3k41 h SER 16 CO 0.06 0.69 0.47 -0.08 -0.53 0.00 0.00 176.83 177.44 3k41 h GLU 17 N 1.15 1.12 -0.26 2.24 4.22 -1.07 -1.93 114.58 120.04 3k41 h GLU 17 Ca 0.32 -0.11 -0.12 0.00 0.08 0.00 0.00 59.36 59.53 3k41 h GLU 17 Cb -0.10 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 28.91 3k41 h GLU 17 CO -0.08 0.81 -0.35 0.87 -2.18 0.00 0.00 179.01 178.07 3k41 h LYS 18 N 1.14 0.58 -0.03 1.92 1.57 -1.03 -2.89 116.57 117.82 3k41 h LYS 18 Ca 0.29 -0.27 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 3k41 h LYS 18 Cb -0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3k41 h LYS 18 CO -0.05 0.85 -0.38 1.96 -0.57 0.00 0.00 179.45 181.26 3k41 h GLN 19 N 0.49 0.07 -0.50 3.15 4.20 -0.79 -2.32 115.11 119.40 3k41 h GLN 19 Ca 0.05 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.62 3k41 h GLN 19 Cb 0.84 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.60 3k41 h GLN 19 CO 0.07 0.44 -0.14 -0.07 -0.67 0.00 0.00 178.83 178.46 3k41 h LEU 20 N 0.06 0.97 -0.77 1.46 3.38 -1.18 -2.13 115.31 117.09 3k41 h LEU 20 Ca 0.00 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 3k41 h LEU 20 Cb 0.70 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 3k41 h LEU 20 CO 0.05 1.10 0.45 0.00 0.09 0.00 0.00 178.44 180.13 3k41 h ALA 21 N 0.98 0.99 -0.50 1.53 0.00 -1.28 -1.55 119.26 119.43 3k41 h ALA 21 Ca 0.13 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3k41 h ALA 21 Cb 0.69 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3k41 h ALA 21 CO 0.05 0.48 0.16 -0.07 0.00 0.00 0.00 179.25 179.87 3k41 h LEU 22 N 1.06 0.73 -0.87 0.00 3.38 -1.19 -1.90 115.31 116.53 3k41 h LEU 22 Ca 0.28 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3k41 h LEU 22 Cb -0.00 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 3k41 h LEU 22 CO -0.05 0.74 0.49 -0.07 0.09 0.00 0.00 178.44 179.65 3k41 h LEU 23 N 0.68 1.08 -0.80 1.67 3.38 -1.10 -2.20 115.31 118.02 3k41 h LEU 23 Ca 0.16 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.05 3k41 h LEU 23 Cb 0.27 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3k41 h LEU 23 CO -0.01 0.86 0.53 0.50 0.09 0.00 0.00 178.44 180.41 3k41 h LYS 24 N 1.21 1.05 0.00 1.13 1.63 -1.00 -1.65 116.57 118.95 3k41 h LYS 24 Ca 0.31 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 60.03 3k41 h LYS 24 Cb 0.01 -0.24 -0.00 0.00 -0.60 0.00 0.00 32.23 31.40 3k41 h LYS 24 CO -0.05 0.69 -0.09 -0.09 -3.45 0.00 0.00 179.45 176.46 3k41 h ARG 25 N 1.08 0.00 -0.05 1.90 2.43 -0.73 -2.06 114.38 116.94 3k41 h ARG 25 Ca 0.29 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 3k41 h ARG 25 Cb -0.12 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 3k41 h ARG 25 CO -0.07 0.09 0.00 1.28 -1.51 0.00 0.00 179.97 179.76 3k41 n LEU 26 N -4.17 0.72 -0.28 3.80 4.77 -0.62 -4.39 117.00 116.83 3k41 n LEU 26 Ca -0.03 -0.28 0.10 0.00 -0.03 0.00 0.00 56.01 55.77 3k41 n LEU 26 Cb 0.17 -0.03 0.24 0.00 -2.33 0.00 0.00 43.42 41.47 3k41 n LEU 26 CO 0.33 0.14 0.90 0.74 -1.33 0.00 0.00 177.39 178.17 3k41 h THR 27 N 1.01 0.34 0.00 -5.08 2.02 -1.33 0.68 112.91 110.54 3k41 h THR 27 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3k41 h THR 27 Cb 0.22 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 3k41 h THR 27 CO 0.00 0.03 0.08 1.55 0.37 0.00 0.00 175.52 177.55 3k41 h PRO 28 N 0.18 0.00 0.00 6.66 0.13 -1.85 -1.31 132.00 135.81 3k41 h PRO 28 Ca 0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.63 3k41 h PRO 28 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 3k41 h PRO 28 CO -0.65 0.00 -0.92 1.28 -0.23 0.00 0.00 178.00 177.48 3k41 n LEU 29 N -2.38 0.74 -0.24 1.56 4.77 0.23 -4.45 117.00 117.22 3k41 n LEU 29 Ca -0.02 0.22 0.04 0.00 -0.03 0.00 0.00 56.01 56.23 3k41 n LEU 29 Cb 0.11 -0.10 0.16 0.00 -2.33 0.00 0.00 43.42 41.26 3k41 n LEU 29 CO 0.11 -0.10 0.92 -0.26 -1.33 0.00 0.00 177.39 176.72 3k41 h PHE 30 N 0.00 0.22 0.00 -1.77 0.04 -1.28 -1.60 116.94 112.55 3k41 h PHE 30 Ca 0.00 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.81 3k41 h PHE 30 Cb 0.87 0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.03 3k41 h PHE 30 CO 0.00 -0.09 0.00 1.04 -0.60 0.00 0.00 178.31 178.66 3k41 n GLN 31 N -5.17 0.20 -2.15 1.51 1.13 -1.26 -4.63 117.38 107.01 3k41 n GLN 31 Ca 0.13 0.46 -0.27 0.00 -1.94 0.00 0.00 57.00 55.38 3k41 n GLN 31 Cb 0.42 -1.91 0.06 0.00 0.11 0.00 0.00 30.24 28.93 3k41 n GLN 31 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3k41 s LYS 32 N -3.36 2.34 -0.04 -1.09 1.02 -0.60 -5.10 119.74 112.90 3k41 s LYS 32 Ca 0.03 -0.09 -0.01 0.00 0.02 0.00 0.00 55.97 55.92 3k41 s LYS 32 Cb 0.09 -2.14 0.03 0.00 -0.52 0.00 0.00 37.83 35.29 3k41 s LYS 32 CO 0.38 -1.19 0.08 0.45 -0.92 0.00 0.00 175.35 174.14 3k41 s SER 33 N -4.48 -0.01 -0.07 2.83 0.15 -1.26 -4.65 113.70 106.20 3k41 s SER 33 Ca 0.59 0.15 0.04 0.00 0.70 0.00 0.00 55.95 57.42 3k41 s SER 33 Cb -0.11 0.05 -0.02 0.00 -1.71 0.00 0.00 66.02 64.24 3k41 s SER 33 CO 0.46 -0.12 -0.18 -0.36 1.20 0.00 0.00 173.24 174.24 3k41 s PHE 34 N 0.97 2.63 0.05 3.44 0.08 -0.22 -4.99 117.98 119.94 3k41 s PHE 34 Ca -0.08 -0.50 0.01 0.00 0.12 0.00 0.00 56.93 56.49 3k41 s PHE 34 Cb -0.11 -1.67 -0.03 0.00 -0.57 0.00 0.00 43.02 40.64 3k41 s PHE 34 CO -0.04 -0.07 -0.06 -1.83 -0.10 0.00 0.00 175.22 173.12 3k41 s GLU 35 N -0.23 0.55 -0.21 0.44 4.04 -1.26 -0.00 118.70 122.02 3k41 s GLU 35 Ca -0.00 -0.90 -0.14 0.00 0.04 0.00 0.00 54.97 53.97 3k41 s GLU 35 Cb -0.13 -0.12 0.06 0.00 0.02 0.00 0.00 34.13 33.96 3k41 s GLU 35 CO 0.03 -0.01 0.53 0.45 -1.84 0.00 0.00 175.26 174.43 3k41 s SER 36 N -2.01 -0.67 -0.14 0.83 0.15 -0.65 -4.90 113.70 106.31 3k41 s SER 36 Ca -0.05 1.14 -0.02 0.00 0.70 0.00 0.00 55.95 57.72 3k41 s SER 36 Cb -0.05 1.06 -0.02 0.00 -1.71 0.00 0.00 66.02 65.29 3k41 s SER 36 CO -0.02 -0.21 -0.06 -0.89 1.20 0.00 0.00 173.24 173.26 3k41 s THR 37 N 1.17 3.69 0.18 6.45 2.01 -1.26 -0.31 115.64 127.57 3k41 s THR 37 Ca -0.07 -0.44 -0.01 0.00 0.31 0.00 0.00 61.69 61.48 3k41 s THR 37 Cb -0.06 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.81 3k41 s THR 37 CO -0.11 0.51 0.10 0.68 -0.69 0.00 0.00 174.62 175.11 3k41 s VAL 38 N 0.24 0.06 0.00 3.82 -7.23 0.61 -4.99 120.40 112.91 3k41 s VAL 38 Ca -0.04 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 3k41 s VAL 38 Cb -0.14 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.46 3k41 s VAL 38 CO 0.03 -0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.26 3k41 n GLY 39 N -0.21 -0.54 3.48 2.32 0.00 -1.26 -0.53 105.19 108.44 3k41 n GLY 39 Ca -0.01 -1.69 -0.28 0.00 0.00 0.00 0.00 46.02 44.04 3k41 n GLY 39 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k41 s GLN 40 N -2.27 1.72 0.54 1.61 -0.21 -1.26 -4.60 119.66 115.20 3k41 s GLN 40 Ca 0.00 -1.34 -0.20 0.00 0.02 0.00 0.00 55.36 53.84 3k41 s GLN 40 Cb 0.00 -2.01 -0.07 0.00 1.00 0.00 0.00 33.01 31.93 3k41 s GLN 40 CO 0.00 0.44 0.99 0.43 -2.12 0.00 0.00 175.29 175.02 3k41 n SER 41 N 0.43 0.98 -0.70 5.90 7.64 -1.26 -0.28 113.62 126.34 3k41 n SER 41 Ca -0.14 0.88 0.04 0.00 1.01 0.00 0.00 58.87 60.67 3k41 n SER 41 Cb 0.55 -1.38 0.13 0.00 -1.01 0.00 0.00 64.21 62.49 3k41 n SER 41 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3k41 n PRO 42 N -0.61 1.94 -1.84 1.43 -0.04 -1.26 -4.87 135.00 129.76 3k41 n PRO 42 Ca 0.12 -1.06 -0.32 0.00 -0.04 0.00 0.00 63.50 62.19 3k41 n PRO 42 Cb 0.45 -1.43 0.04 0.00 -0.04 0.00 0.00 33.50 32.52 3k41 n PRO 42 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3k41 n ASP 43 N 0.28 6.44 -4.68 3.54 8.00 0.62 -4.86 116.55 125.90 3k41 n ASP 43 Ca 0.10 -3.78 -0.41 0.00 0.71 0.00 0.00 54.79 51.40 3k41 n ASP 43 Cb 0.37 -0.75 -0.04 0.00 -0.02 0.00 0.00 41.12 40.69 3k41 n ASP 43 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 3k41 s MET 44 N -3.78 4.33 0.09 -1.24 1.75 -1.17 -4.01 119.30 115.28 3k41 s MET 44 Ca 0.56 1.07 0.09 0.00 -1.25 0.00 0.00 55.69 56.16 3k41 s MET 44 Cb 0.45 -3.56 -0.03 0.00 2.84 0.00 0.00 34.83 34.53 3k41 s MET 44 CO -0.12 -0.29 -0.25 0.71 -0.65 0.00 0.00 175.02 174.43 3k41 s TYR 45 N 1.99 2.12 -0.14 4.11 2.02 0.31 -1.31 117.35 126.46 3k41 s TYR 45 Ca 0.40 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.73 3k41 s TYR 45 Cb -0.17 -1.20 0.01 0.00 -0.40 0.00 0.00 41.96 40.20 3k41 s TYR 45 CO 0.14 0.22 -0.22 0.45 -1.57 0.00 0.00 175.55 174.57 3k41 s SER 46 N -1.69 3.08 -0.13 2.29 0.15 -0.18 -0.28 113.70 116.93 3k41 s SER 46 Ca 0.11 -0.60 -0.04 0.00 0.70 0.00 0.00 55.95 56.12 3k41 s SER 46 Cb -0.10 -1.43 -0.03 0.00 -1.71 0.00 0.00 66.02 62.75 3k41 s SER 46 CO 0.04 0.07 -0.00 -0.31 1.20 0.00 0.00 173.24 174.24 3k41 s TYR 47 N 0.85 3.13 -0.14 3.44 1.51 0.58 0.03 117.35 126.75 3k41 s TYR 47 Ca -0.06 -0.01 0.02 0.00 -1.01 0.00 0.00 57.07 56.00 3k41 s TYR 47 Cb -0.15 -1.91 0.00 0.00 -0.11 0.00 0.00 41.96 39.79 3k41 s TYR 47 CO -0.03 0.22 -0.19 0.08 -1.11 0.00 0.00 175.55 174.52 3k41 s VAL 48 N -0.16 2.34 -0.02 0.71 1.01 -0.54 -1.64 120.40 122.10 3k41 s VAL 48 Ca 0.05 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.19 3k41 s VAL 48 Cb -0.13 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 3k41 s VAL 48 CO 0.02 0.54 -0.20 0.12 0.00 0.00 0.00 175.10 175.58 3k41 s PHE 49 N 0.72 1.82 0.05 5.22 5.36 0.99 -1.36 117.98 130.79 3k41 s PHE 49 Ca -0.08 -0.39 0.00 0.00 -0.96 0.00 0.00 56.93 55.50 3k41 s PHE 49 Cb -0.16 -1.18 -0.03 0.00 -0.34 0.00 0.00 43.02 41.31 3k41 s PHE 49 CO 0.01 -0.06 -0.04 1.03 -1.46 0.00 0.00 175.22 174.69 3k41 s ARG 50 N -0.37 0.56 -0.44 10.12 0.52 -0.65 -1.06 118.95 127.63 3k41 s ARG 50 Ca 0.05 -1.02 -0.15 0.00 -0.52 0.00 0.00 55.73 54.09 3k41 s ARG 50 Cb -0.09 0.04 0.05 0.00 0.52 0.00 0.00 34.95 35.47 3k41 s ARG 50 CO -0.00 -0.06 0.36 0.08 0.02 0.00 0.00 175.30 175.70 3k41 s VAL 51 N -2.88 5.23 -2.03 3.52 1.01 -1.26 -4.53 120.40 119.47 3k41 s VAL 51 Ca -0.01 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.14 3k41 s VAL 51 Cb 0.00 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.34 3k41 s VAL 51 CO -0.05 -0.46 0.00 0.00 0.00 0.00 0.00 175.10 174.59 3k41 s ARG 53 N -4.34 0.64 -0.19 0.00 1.81 -1.26 -4.14 118.95 111.46 3k41 s ARG 53 Ca 0.00 -1.24 -0.28 0.00 -1.72 0.00 0.00 55.73 52.49 3k41 s ARG 53 Cb 0.00 0.20 -0.05 0.00 -0.45 0.00 0.00 34.95 34.64 3k41 s ARG 53 CO 0.00 -0.12 2.10 -2.00 -0.68 0.00 0.00 175.30 174.60 3k41 s GLU 54 N -3.93 3.36 0.00 3.54 2.56 -1.26 -4.55 118.70 118.42 3k41 s GLU 54 Ca 0.08 2.05 0.23 0.00 0.00 0.00 0.00 54.97 57.33 3k41 s GLU 54 Cb 0.08 -4.30 0.04 0.00 2.00 0.00 0.00 34.13 31.94 3k41 s GLU 54 CO -0.09 -1.84 1.09 0.00 -0.56 0.00 0.00 175.26 173.86 3k41 n ALA 55 N 10.68 4.17 -2.02 6.30 0.00 -0.04 -4.97 120.51 134.62 3k41 n ALA 55 Ca 0.27 -0.54 -0.20 0.00 0.00 0.00 0.00 53.44 52.96 3k41 n ALA 55 Cb 0.44 -0.87 0.06 0.00 0.00 0.00 0.00 19.45 19.09 3k41 n ALA 55 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3k41 s GLY 56 N -2.87 1.77 0.00 0.00 0.00 -1.26 -4.75 107.32 100.21 3k41 s GLY 56 Ca 0.12 -1.97 0.22 0.00 0.00 0.00 0.00 44.72 43.09 3k41 s GLY 56 CO 0.76 -1.52 1.39 -1.06 0.00 0.00 0.00 173.10 172.66 3k41 n GLN 57 N -2.33 2.48 -0.55 2.90 6.02 -1.26 -4.55 117.38 120.10 3k41 n GLN 57 Ca 0.14 -2.29 0.05 0.00 -0.01 0.00 0.00 57.00 54.89 3k41 n GLN 57 Cb 0.61 -1.50 0.09 0.00 1.02 0.00 0.00 30.24 30.46 3k41 n GLN 57 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3k41 n HIS 58 N 1.43 0.00 -3.87 1.08 8.25 -1.26 -5.02 115.22 115.83 3k41 n HIS 58 Ca 0.19 -0.69 -0.28 0.00 -0.26 0.00 0.00 57.72 56.68 3k41 n HIS 58 Cb 0.59 -0.14 0.02 0.00 1.12 0.00 0.00 29.99 31.58 3k41 n HIS 58 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3k41 n SER 59 N -0.60 -3.61 -0.27 0.41 2.88 -1.26 -4.86 113.62 106.30 3k41 n SER 59 Ca 0.10 -0.81 0.12 0.00 -1.33 0.00 0.00 58.87 56.95 3k41 n SER 59 Cb 0.75 -3.86 0.21 0.00 -0.75 0.00 0.00 64.21 60.56 3k41 n SER 59 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3k41 n SER 60 N -2.89 1.26 0.00 -3.46 7.64 -1.26 -4.93 113.62 109.97 3k41 n SER 60 Ca -0.06 -1.01 0.00 0.00 1.01 0.00 0.00 58.87 58.81 3k41 n SER 60 Cb 0.57 0.32 0.00 0.00 -1.01 0.00 0.00 64.21 64.10 3k41 n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k41 n GLY 61 N 1.40 0.53 3.74 0.23 0.00 -1.26 -5.02 105.19 104.81 3k41 n GLY 61 Ca 0.10 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 3k41 n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k41 s ALA 62 N -2.00 3.57 -0.07 4.61 0.00 -1.26 -2.48 121.76 124.14 3k41 s ALA 62 Ca 0.00 1.23 0.21 0.00 0.00 0.00 0.00 51.96 53.40 3k41 s ALA 62 Cb 0.00 -3.52 -0.31 0.00 0.00 0.00 0.00 23.12 19.29 3k41 s ALA 62 CO 0.00 -0.64 0.38 0.41 0.00 0.00 0.00 175.76 175.91 3k41 n GLY 63 N 2.09 -0.98 3.39 0.00 0.00 0.12 -0.87 105.19 108.94 3k41 n GLY 63 Ca 0.06 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 3k41 n GLY 63 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k41 s LEU 64 N -4.71 -0.36 0.21 0.99 0.20 -1.08 -1.64 118.68 112.29 3k41 s LEU 64 Ca -0.08 1.09 0.07 0.00 0.69 0.00 0.00 54.13 55.90 3k41 s LEU 64 Cb 0.12 1.68 -0.05 0.00 -0.43 0.00 0.00 46.19 47.51 3k41 s LEU 64 CO 0.88 -0.21 -0.13 0.68 -0.29 0.00 0.00 176.35 177.27 3k41 s VAL 65 N 1.46 1.70 -0.11 1.68 -7.23 -0.46 -0.87 120.40 116.57 3k41 s VAL 65 Ca -0.10 -2.20 0.03 0.00 -1.81 0.00 0.00 61.98 57.91 3k41 s VAL 65 Cb -0.07 -2.07 -0.00 0.00 0.56 0.00 0.00 36.38 34.80 3k41 s VAL 65 CO -0.15 -0.58 -0.22 -1.58 -0.31 0.00 0.00 175.10 172.26 3k41 s GLN 66 N -3.66 3.11 -0.15 4.82 0.74 0.82 -1.47 119.66 123.86 3k41 s GLN 66 Ca 0.23 -0.85 0.02 0.00 0.05 0.00 0.00 55.36 54.81 3k41 s GLN 66 Cb -0.00 -2.36 0.01 0.00 1.10 0.00 0.00 33.01 31.76 3k41 s GLN 66 CO 0.07 0.18 -0.21 0.42 -0.55 0.00 0.00 175.29 175.19 3k41 s ILE 67 N 0.37 2.06 -0.29 -2.34 1.01 0.10 -0.26 121.20 121.85 3k41 s ILE 67 Ca -0.17 -0.97 -0.29 0.00 0.00 0.00 0.00 60.65 59.22 3k41 s ILE 67 Cb -0.18 -1.83 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 3k41 s ILE 67 CO 0.08 0.55 1.46 -1.58 0.00 0.00 0.00 174.94 175.45 3k41 s GLN 68 N 0.96 3.77 0.17 2.79 2.00 -0.34 -1.01 119.66 128.00 3k41 s GLN 68 Ca -0.03 1.35 -0.15 0.00 -2.00 0.00 0.00 55.36 54.52 3k41 s GLN 68 Cb -0.15 -3.98 0.13 0.00 0.80 0.00 0.00 33.01 29.81 3k41 s GLN 68 CO -0.05 -1.31 1.71 0.87 -0.50 0.00 0.00 175.29 176.00 3k41 h LYS 69 N 10.29 0.16 -0.06 1.67 1.79 -1.54 -2.79 116.57 126.07 3k41 h LYS 69 Ca -0.29 -0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.19 3k41 h LYS 69 Cb 1.12 -0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 31.68 3k41 h LYS 69 CO 1.03 0.10 -0.54 0.66 -1.08 0.00 0.00 179.45 179.62 3k41 h SER 70 N 0.16 -1.69 -3.52 0.86 4.64 -1.89 -3.37 113.55 108.74 3k41 h SER 70 Ca 0.21 0.19 -0.63 0.00 -0.47 0.00 0.00 61.79 61.09 3k41 h SER 70 Cb 0.28 0.65 -0.37 0.00 -0.31 0.00 0.00 62.40 62.65 3k41 h SER 70 CO -0.31 -0.51 -0.81 0.54 -0.87 0.00 0.00 176.83 174.88 3k41 s ASN 71 N -4.79 3.65 0.00 4.97 4.22 -1.13 -5.01 114.94 116.86 3k41 s ASN 71 Ca -0.16 -1.01 0.00 0.00 -2.14 0.00 0.00 52.86 49.55 3k41 s ASN 71 Cb 0.07 -1.31 0.00 0.00 1.28 0.00 0.00 41.25 41.29 3k41 s ASN 71 CO 0.61 -0.16 0.00 0.61 -2.04 0.00 0.00 177.10 176.12 3k41 n GLY 72 N 4.63 0.02 3.69 0.45 0.00 -1.07 -4.17 105.19 108.74 3k41 n GLY 72 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 3k41 n GLY 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3k41 s LYS 73 N 0.22 4.19 -0.20 1.61 2.20 -1.24 -4.74 119.74 121.77 3k41 s LYS 73 Ca 0.00 2.36 -0.07 0.00 -0.36 0.00 0.00 55.97 57.90 3k41 s LYS 73 Cb 0.00 -3.59 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 3k41 s LYS 73 CO 0.00 -0.74 0.06 -2.00 -0.36 0.00 0.00 175.35 172.31 3k41 s GLU 74 N 2.62 3.90 -0.09 4.03 2.12 -1.26 -1.19 118.70 128.82 3k41 s GLU 74 Ca 0.75 -0.38 0.04 0.00 0.36 0.00 0.00 54.97 55.74 3k41 s GLU 74 Cb -0.41 -3.23 -0.00 0.00 0.26 0.00 0.00 34.13 30.75 3k41 s GLU 74 CO 0.33 0.17 -0.23 0.99 -0.54 0.00 0.00 175.26 175.98 3k41 s THR 75 N 0.64 2.18 -0.24 -1.70 2.01 0.64 -4.97 115.64 114.21 3k41 s THR 75 Ca 0.03 -0.99 -0.26 0.00 0.31 0.00 0.00 61.69 60.79 3k41 s THR 75 Cb -0.13 -1.83 -0.00 0.00 0.01 0.00 0.00 72.50 70.55 3k41 s THR 75 CO 0.02 0.56 0.89 -0.69 -0.69 0.00 0.00 174.62 174.70 3k41 s VAL 76 N 0.23 4.79 -0.01 3.82 1.01 -1.26 -0.13 120.40 128.85 3k41 s VAL 76 Ca -0.15 1.70 -0.03 0.00 0.00 0.00 0.00 61.98 63.50 3k41 s VAL 76 Cb -0.17 -4.17 -0.27 0.00 0.00 0.00 0.00 36.38 31.77 3k41 s VAL 76 CO 0.07 -0.10 0.82 0.58 0.00 0.00 0.00 175.10 176.47 3k41 h VAL 77 N 5.44 1.10 -2.04 2.92 2.07 -1.34 0.42 116.25 124.82 3k41 h VAL 77 Ca -0.22 -2.76 -0.00 0.00 0.82 0.00 0.00 66.70 64.54 3k41 h VAL 77 Cb 1.08 2.73 -0.19 0.00 -1.52 0.00 0.00 31.29 33.39 3k41 h VAL 77 CO 0.90 0.81 0.31 -0.83 0.02 0.00 0.00 177.57 178.78 3k41 s GLY 78 N -5.00 -0.49 -0.07 2.17 0.00 -1.10 -2.01 107.32 100.82 3k41 s GLY 78 Ca -0.10 1.37 0.02 0.00 0.00 0.00 0.00 44.72 46.01 3k41 s GLY 78 CO 0.85 0.81 -0.14 0.50 0.00 0.00 0.00 173.10 175.12 3k41 s ARG 79 N -1.69 2.76 0.00 2.90 0.52 0.34 0.12 118.95 123.91 3k41 s ARG 79 Ca -0.06 -0.69 0.18 0.00 -0.52 0.00 0.00 55.73 54.64 3k41 s ARG 79 Cb -0.00 -2.46 0.94 0.00 0.52 0.00 0.00 34.95 33.95 3k41 s ARG 79 CO 0.03 0.51 1.50 1.97 0.02 0.00 0.00 175.30 179.33 3k41 n PHE 80 N 2.65 0.00 1.74 -0.53 1.16 -1.03 -1.97 117.46 119.47 3k41 n PHE 80 Ca -0.17 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.53 3k41 n PHE 80 Cb 0.52 -0.19 0.62 0.00 -1.61 0.00 0.00 39.48 38.82 3k41 n PHE 80 CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 3k41 n ASN 81 N -1.19 0.65 -3.21 5.98 6.94 -1.26 -1.10 115.26 122.06 3k41 n ASN 81 Ca 0.10 -1.38 -0.23 0.00 -0.02 0.00 0.00 54.58 53.05 3k41 n ASN 81 Cb 0.11 -0.02 -0.06 0.00 -2.36 0.00 0.00 39.78 37.45 3k41 n ASN 81 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3k41 n GLU 82 N -0.42 1.26 -4.06 -3.83 1.02 -0.83 -4.43 120.64 109.34 3k41 n GLU 82 Ca 0.18 -3.62 -0.33 0.00 -0.02 0.00 0.00 57.16 53.37 3k41 n GLU 82 Cb 0.19 -1.58 -0.07 0.00 -0.02 0.00 0.00 31.44 29.97 3k41 n GLU 82 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3k41 s THR 83 N -1.94 4.88 0.01 2.62 2.01 0.08 -0.77 115.64 122.53 3k41 s THR 83 Ca 0.38 -0.34 0.03 0.00 0.31 0.00 0.00 61.69 62.07 3k41 s THR 83 Cb 0.22 -3.23 -0.01 0.00 0.01 0.00 0.00 72.50 69.48 3k41 s THR 83 CO -0.09 0.36 -0.10 -1.10 -0.69 0.00 0.00 174.62 173.01 3k41 s GLN 84 N -1.73 0.71 -0.11 4.92 -0.21 -0.72 -1.55 119.66 120.97 3k41 s GLN 84 Ca 0.23 -0.48 -0.10 0.00 0.02 0.00 0.00 55.36 55.03 3k41 s GLN 84 Cb -0.12 -0.66 0.03 0.00 1.00 0.00 0.00 33.01 33.25 3k41 s GLN 84 CO 0.14 0.17 0.30 -1.50 -2.12 0.00 0.00 175.29 172.29 3k41 s ILE 85 N -0.54 -0.00 -0.00 1.08 2.07 -1.26 -0.70 121.20 121.85 3k41 s ILE 85 Ca 0.01 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.26 3k41 s ILE 85 Cb -0.05 -0.43 -0.00 0.00 0.13 0.00 0.00 42.46 42.11 3k41 s ILE 85 CO 0.00 0.00 -0.03 -0.36 -1.91 0.00 0.00 174.94 172.64 3k41 s PHE 86 N 0.18 0.26 -0.33 3.50 0.40 -0.19 -4.81 117.98 116.98 3k41 s PHE 86 Ca -0.00 -0.05 -0.12 0.00 -0.60 0.00 0.00 56.93 56.15 3k41 s PHE 86 Cb -0.02 -0.16 -0.02 0.00 0.51 0.00 0.00 43.02 43.32 3k41 s PHE 86 CO 0.00 -0.01 0.22 -1.14 0.70 0.00 0.00 175.22 175.00 3k41 s GLN 87 N -0.08 3.55 0.62 0.44 2.00 -1.26 -0.80 119.66 124.14 3k41 s GLN 87 Ca 0.01 -0.60 0.06 0.00 -2.00 0.00 0.00 55.36 52.83 3k41 s GLN 87 Cb -0.01 -3.76 0.10 0.00 0.80 0.00 0.00 33.01 30.14 3k41 s GLN 87 CO -0.00 -0.40 0.86 0.20 -0.50 0.00 0.00 175.29 175.45 3k41 s GLY 88 N 1.72 1.75 0.15 2.59 0.00 0.11 -5.02 107.32 108.62 3k41 s GLY 88 Ca 0.06 -1.98 -0.17 0.00 0.00 0.00 0.00 44.72 42.64 3k41 s GLY 88 CO 0.10 -1.48 1.78 1.76 0.00 0.00 0.00 173.10 175.26 3k41 h SER 89 N -0.07 0.27 0.00 1.64 0.02 -1.98 -3.30 113.55 110.13 3k41 h SER 89 Ca -0.33 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.63 3k41 h SER 89 Cb 1.28 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 3k41 h SER 89 CO 0.41 0.20 -0.18 0.59 -1.14 0.00 0.00 176.83 176.70 3k41 n ASN 90 N -4.93 1.75 -3.77 3.07 3.02 -1.26 -4.41 115.26 108.72 3k41 n ASN 90 Ca -0.00 -2.90 -0.09 0.00 -0.03 0.00 0.00 54.58 51.56 3k41 n ASN 90 Cb 0.07 -0.39 -0.03 0.00 -0.61 0.00 0.00 39.78 38.83 3k41 n ASN 90 CO 0.00 0.00 0.00 -1.66 -2.62 0.00 0.00 177.26 172.98 3k41 s TRP 91 N -2.21 -0.18 -0.06 3.10 1.48 -1.24 -1.04 118.94 118.79 3k41 s TRP 91 Ca 0.26 -0.20 0.03 0.00 -1.06 0.00 0.00 56.10 55.13 3k41 s TRP 91 Cb 0.23 0.56 0.01 0.00 -1.16 0.00 0.00 33.47 33.11 3k41 s TRP 91 CO 0.01 -1.07 -0.13 0.42 -4.06 0.00 0.00 176.95 172.12 3k41 s ILE 92 N -3.89 1.14 -0.27 0.66 1.01 0.39 0.07 121.20 120.32 3k41 s ILE 92 Ca 0.10 -0.50 -0.09 0.00 0.00 0.00 0.00 60.65 60.16 3k41 s ILE 92 Cb -0.03 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 3k41 s ILE 92 CO 0.01 0.35 0.13 -0.32 0.00 0.00 0.00 174.94 175.12 3k41 s MET 93 N 0.54 3.75 -0.14 2.79 -2.45 0.02 -0.35 119.30 123.46 3k41 s MET 93 Ca -0.12 -0.43 -0.01 0.00 -1.25 0.00 0.00 55.69 53.87 3k41 s MET 93 Cb -0.15 -3.50 -0.02 0.00 1.25 0.00 0.00 34.83 32.42 3k41 s MET 93 CO 0.03 -0.21 -0.10 -1.17 1.05 0.00 0.00 175.02 174.62 3k41 s LEU 94 N 1.68 2.83 -0.04 4.11 2.96 -0.01 -1.02 118.68 129.19 3k41 s LEU 94 Ca 0.06 -0.30 0.06 0.00 -0.22 0.00 0.00 54.13 53.74 3k41 s LEU 94 Cb -0.16 -1.66 -0.01 0.00 0.50 0.00 0.00 46.19 44.87 3k41 s LEU 94 CO 0.07 0.15 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.41 3k41 s ILE 95 N 0.46 1.74 -0.21 6.68 1.01 0.12 0.26 121.20 131.25 3k41 s ILE 95 Ca -0.08 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.68 3k41 s ILE 95 Cb -0.15 -1.47 0.04 0.00 0.01 0.00 0.00 42.46 40.89 3k41 s ILE 95 CO 0.04 0.49 -0.12 -0.31 0.00 0.00 0.00 174.94 175.04 3k41 s TYR 96 N -0.18 2.70 0.16 3.97 2.02 0.18 -1.75 117.35 124.45 3k41 s TYR 96 Ca -0.01 -1.80 0.02 0.00 -0.37 0.00 0.00 57.07 54.91 3k41 s TYR 96 Cb -0.12 -1.77 0.03 0.00 -0.40 0.00 0.00 41.96 39.71 3k41 s TYR 96 CO 0.02 -0.79 0.22 1.63 -1.57 0.00 0.00 175.55 175.05 3k41 n LYS 97 N 4.61 0.74 -2.74 -0.62 5.02 0.05 -0.78 118.16 124.44 3k41 n LYS 97 Ca -0.16 -0.75 -0.16 0.00 -2.02 0.00 0.00 58.31 55.23 3k41 n LYS 97 Cb 0.46 -0.10 0.02 0.00 -0.02 0.00 0.00 35.03 35.40 3k41 n LYS 97 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k41 n GLY 98 N 3.19 -0.20 1.94 0.72 0.00 -1.23 -0.50 105.19 109.10 3k41 n GLY 98 Ca 0.04 -0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 3k41 n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k41 n GLY 99 N -1.28 -1.48 3.77 -0.02 0.00 0.54 -4.17 105.19 102.55 3k41 n GLY 99 Ca -0.10 -1.66 -0.38 0.00 0.00 0.00 0.00 46.02 43.88 3k41 n GLY 99 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k41 s ASP 100 N -3.42 6.06 0.44 1.61 1.01 0.15 -3.38 116.67 119.14 3k41 s ASP 100 Ca 0.38 2.50 -0.24 0.00 0.71 0.00 0.00 52.55 55.90 3k41 s ASP 100 Cb -0.01 -2.62 -0.08 0.00 1.01 0.00 0.00 42.92 41.22 3k41 s ASP 100 CO 0.27 -1.00 1.16 -1.61 0.21 0.00 0.00 175.17 174.20 3k41 s GLU 101 N -2.57 3.86 0.52 8.23 2.02 -1.26 -1.28 118.70 128.23 3k41 s GLU 101 Ca 0.63 1.78 -0.17 0.00 0.02 0.00 0.00 54.97 57.23 3k41 s GLU 101 Cb -0.34 -2.49 -0.07 0.00 0.10 0.00 0.00 34.13 31.33 3k41 s GLU 101 CO 0.42 -0.47 1.00 0.71 0.02 0.00 0.00 175.26 176.95 3k41 s TYR 102 N -1.51 3.28 -0.20 1.61 2.02 -0.59 -4.90 117.35 117.06 3k41 s TYR 102 Ca 0.61 1.50 -0.05 0.00 -0.37 0.00 0.00 57.07 58.77 3k41 s TYR 102 Cb -0.29 -2.88 -0.21 0.00 -0.40 0.00 0.00 41.96 38.19 3k41 s TYR 102 CO 0.35 -0.57 0.04 -0.25 -1.57 0.00 0.00 175.55 173.56 3k41 n ASP 103 N -1.54 2.03 -0.04 2.29 8.00 -1.26 -4.37 116.55 121.65 3k41 n ASP 103 Ca 0.07 0.09 -0.09 0.00 0.71 0.00 0.00 54.79 55.57 3k41 n ASP 103 Cb 0.54 -0.68 -0.03 0.00 -0.02 0.00 0.00 41.12 40.93 3k41 n ASP 103 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3k41 n ASN 104 N -3.52 0.92 -4.77 -2.24 3.02 -1.26 -4.74 115.26 102.67 3k41 n ASN 104 Ca -0.40 0.09 -0.29 0.00 -0.03 0.00 0.00 54.58 53.95 3k41 n ASN 104 Cb 0.98 -0.24 0.12 0.00 -0.61 0.00 0.00 39.78 40.04 3k41 n ASN 104 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3k41 s HIS 105 N -2.16 2.57 -1.63 3.10 3.76 -1.26 -4.42 115.29 115.25 3k41 s HIS 105 Ca -0.12 1.05 -0.13 0.00 -0.15 0.00 0.00 55.06 55.71 3k41 s HIS 105 Cb 0.04 -3.23 0.11 0.00 1.11 0.00 0.00 32.58 30.62 3k41 s HIS 105 CO 0.15 -2.18 0.65 0.00 -0.85 0.00 0.00 174.74 172.52 3k41 n GLY 107 N -1.60 1.81 2.41 0.00 0.00 -0.92 -1.78 105.19 105.11 3k41 n GLY 107 Ca -0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 3k41 n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k41 n ARG 108 N -2.24 -1.29 -1.51 1.61 1.74 -0.42 -4.99 116.66 109.56 3k41 n ARG 108 Ca -0.19 0.97 -0.29 0.00 -0.77 0.00 0.00 57.85 57.57 3k41 n ARG 108 Cb 0.63 -5.32 0.14 0.00 -1.02 0.00 0.00 32.46 26.90 3k41 n ARG 108 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 3k41 s GLU 109 N -4.19 0.97 0.37 5.56 -1.05 -0.73 -4.07 118.70 115.55 3k41 s GLU 109 Ca 0.00 0.26 -0.25 0.00 -0.15 0.00 0.00 54.97 54.82 3k41 s GLU 109 Cb 0.00 -1.82 -0.09 0.00 -0.44 0.00 0.00 34.13 31.78 3k41 s GLU 109 CO 0.00 -2.31 1.08 -0.65 0.95 0.00 0.00 175.26 174.33 3k41 s GLN 110 N -5.29 4.25 0.91 -4.83 -0.21 -1.26 -1.54 119.66 111.68 3k41 s GLN 110 Ca 0.65 1.62 -0.11 0.00 0.02 0.00 0.00 55.36 57.54 3k41 s GLN 110 Cb -0.14 -2.70 0.14 0.00 1.00 0.00 0.00 33.01 31.30 3k41 s GLN 110 CO 0.54 -0.09 1.09 1.03 -2.12 0.00 0.00 175.29 175.74 3k41 s ARG 111 N -2.23 1.15 -0.05 2.91 0.52 -0.40 -4.65 118.95 116.20 3k41 s ARG 111 Ca 0.55 1.04 -0.14 0.00 -0.52 0.00 0.00 55.73 56.67 3k41 s ARG 111 Cb -0.25 -1.78 0.03 0.00 0.52 0.00 0.00 34.95 33.46 3k41 s ARG 111 CO 0.32 -2.38 0.32 0.50 0.02 0.00 0.00 175.30 174.08 3k41 s ARG 112 N -4.81 0.57 -0.09 3.54 3.52 -0.85 -0.34 118.95 120.49 3k41 s ARG 112 Ca 0.64 0.03 0.03 0.00 -0.13 0.00 0.00 55.73 56.30 3k41 s ARG 112 Cb -0.20 0.26 -0.01 0.00 -1.56 0.00 0.00 34.95 33.44 3k41 s ARG 112 CO 0.58 -0.14 -0.18 0.00 -0.81 0.00 0.00 175.30 174.76 3k41 s ALA 113 N -0.81 2.45 -0.20 6.12 0.00 0.04 -0.78 121.76 128.59 3k41 s ALA 113 Ca -0.09 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 50.93 3k41 s ALA 113 Cb -0.04 -0.97 0.03 0.00 0.00 0.00 0.00 23.12 22.14 3k41 s ALA 113 CO 0.03 0.36 -0.15 0.08 0.00 0.00 0.00 175.76 176.08 3k41 s VAL 114 N 0.01 1.89 -0.21 0.00 1.01 -0.02 -0.65 120.40 122.44 3k41 s VAL 114 Ca -0.06 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 60.86 3k41 s VAL 114 Cb -0.15 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 34.40 3k41 s VAL 114 CO 0.05 0.32 -0.11 -0.69 0.00 0.00 0.00 175.10 174.66 3k41 s VAL 115 N 1.31 2.73 -0.45 2.92 1.01 0.14 -0.31 120.40 127.76 3k41 s VAL 115 Ca 0.01 -0.77 -0.19 0.00 0.00 0.00 0.00 61.98 61.02 3k41 s VAL 115 Cb -0.15 -2.24 0.03 0.00 0.00 0.00 0.00 36.38 34.02 3k41 s VAL 115 CO -0.10 0.44 0.58 -0.04 0.00 0.00 0.00 175.10 175.97 3k41 s MET 116 N 1.37 3.19 -0.52 2.72 -1.94 0.14 -0.83 119.30 123.44 3k41 s MET 116 Ca 0.04 -0.59 -0.18 0.00 -1.71 0.00 0.00 55.69 53.26 3k41 s MET 116 Cb -0.14 -3.98 0.08 0.00 2.01 0.00 0.00 34.83 32.79 3k41 s MET 116 CO -0.08 -1.00 0.57 0.42 -0.01 0.00 0.00 175.02 174.92 3k41 s ILE 117 N 2.58 4.99 0.25 2.53 1.01 0.53 -1.80 121.20 131.30 3k41 s ILE 117 Ca 0.18 -0.84 -0.12 0.00 0.00 0.00 0.00 60.65 59.86 3k41 s ILE 117 Cb -0.16 -4.30 -0.08 0.00 0.01 0.00 0.00 42.46 37.93 3k41 s ILE 117 CO 0.16 -0.82 0.62 -0.44 0.00 0.00 0.00 174.94 174.46 3k41 s SER 118 N 2.95 6.71 0.28 3.58 0.01 -0.03 -0.46 113.70 126.74 3k41 s SER 118 Ca 0.10 1.08 -0.30 0.00 1.31 0.00 0.00 55.95 58.15 3k41 s SER 118 Cb -0.23 -2.29 -0.10 0.00 0.21 0.00 0.00 66.02 63.61 3k41 s SER 118 CO 0.08 -0.10 1.42 0.00 0.41 0.00 0.00 173.24 175.05 3k41 s ASN 120 N 0.13 -0.34 0.66 0.00 3.84 -1.13 -4.79 114.94 113.31 3k41 s ASN 120 Ca 0.56 -0.03 0.40 0.00 0.21 0.00 0.00 52.86 54.00 3k41 s ASN 120 Cb -0.42 1.45 2.19 0.00 -0.55 0.00 0.00 41.25 43.93 3k41 s ASN 120 CO 0.47 -0.32 2.27 0.03 -2.79 0.00 0.00 177.10 176.76 3k41 h ARG 121 N 8.11 0.00 0.00 0.43 2.47 -1.90 -2.86 114.38 120.62 3k41 h ARG 121 Ca -0.09 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.63 3k41 h ARG 121 Cb 1.15 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 3k41 h ARG 121 CO 0.23 0.00 -0.18 0.72 0.56 0.00 0.00 179.97 181.30 3k41 n HIS 122 N -3.18 0.05 -3.75 3.04 8.25 -1.26 -4.90 115.22 113.48 3k41 n HIS 122 Ca -0.03 0.02 -0.13 0.00 -0.26 0.00 0.00 57.72 57.32 3k41 n HIS 122 Cb 0.14 -0.44 -0.09 0.00 1.12 0.00 0.00 29.99 30.72 3k41 n HIS 122 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3k41 s THR 123 N -3.01 0.03 0.24 1.59 -1.32 -1.12 -5.02 115.64 107.03 3k41 s THR 123 Ca 0.13 -0.26 0.03 0.00 -1.21 0.00 0.00 61.69 60.38 3k41 s THR 123 Cb 0.18 -0.59 -0.02 0.00 -1.51 0.00 0.00 72.50 70.57 3k41 s THR 123 CO 0.59 -0.14 1.59 0.25 -2.21 0.00 0.00 174.62 174.70 3k41 h LEU 124 N 4.54 0.34 -7.00 9.08 5.85 -1.89 0.14 115.31 126.36 3k41 h LEU 124 Ca -0.28 -0.17 0.12 0.00 0.84 0.00 0.00 57.88 58.39 3k41 h LEU 124 Cb 1.18 -0.10 -0.28 0.00 0.37 0.00 0.00 40.66 41.83 3k41 h LEU 124 CO 0.35 0.81 0.44 0.00 -0.34 0.00 0.00 178.44 179.70 3k41 s ALA 125 N -3.93 -2.31 -0.00 1.25 0.00 -1.26 -3.80 121.76 111.71 3k41 s ALA 125 Ca -0.05 2.15 -0.30 0.00 0.00 0.00 0.00 51.96 53.77 3k41 s ALA 125 Cb 0.12 -1.73 0.12 0.00 0.00 0.00 0.00 23.12 21.62 3k41 s ALA 125 CO 0.80 -0.33 1.24 0.34 0.00 0.00 0.00 175.76 177.81 3k41 s ASP 126 N 1.23 -0.08 -1.42 0.00 -1.08 -0.77 -5.00 116.67 109.54 3k41 s ASP 126 Ca -0.08 -0.16 -0.08 0.00 -0.52 0.00 0.00 52.55 51.71 3k41 s ASP 126 Cb -0.04 0.20 0.02 0.00 -1.46 0.00 0.00 42.92 41.64 3k41 s ASP 126 CO -0.14 -0.37 1.02 0.59 0.52 0.00 0.00 175.17 176.80 3k41 n ASN 127 N -0.47 -6.17 -4.71 -0.34 3.02 -1.26 -0.80 115.26 104.54 3k41 n ASN 127 Ca -0.08 -0.50 -0.42 0.00 -0.03 0.00 0.00 54.58 53.55 3k41 n ASN 127 Cb 0.62 -4.89 -0.03 0.00 -0.61 0.00 0.00 39.78 34.87 3k41 n ASN 127 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3k41 s PHE 128 N -3.28 2.86 -0.15 3.10 5.36 -1.26 -4.24 117.98 120.37 3k41 s PHE 128 Ca 0.53 0.60 -0.13 0.00 -0.96 0.00 0.00 56.93 56.97 3k41 s PHE 128 Cb -0.24 -3.87 0.04 0.00 -0.34 0.00 0.00 43.02 38.61 3k41 s PHE 128 CO 0.65 -3.30 0.39 -0.80 -1.46 0.00 0.00 175.22 170.70 3k41 s ASN 129 N 1.63 -0.41 0.29 6.13 0.01 0.04 -4.71 114.94 117.91 3k41 s ASN 129 Ca 0.70 0.79 -0.29 0.00 -0.71 0.00 0.00 52.86 53.35 3k41 s ASN 129 Cb -0.40 0.79 -0.10 0.00 0.41 0.00 0.00 41.25 41.95 3k41 s ASN 129 CO 0.31 -0.14 1.12 -2.84 -1.51 0.00 0.00 177.10 174.04 3k41 s PRO 130 N 0.34 4.61 -0.21 -0.60 0.02 -1.26 -1.07 135.00 136.82 3k41 s PRO 130 Ca -0.01 1.84 -0.11 0.00 0.02 0.00 0.00 61.00 62.74 3k41 s PRO 130 Cb -0.03 -3.17 -0.09 0.00 0.02 0.00 0.00 34.50 31.23 3k41 s PRO 130 CO -0.01 0.17 -0.28 0.28 -0.33 0.00 0.00 177.00 176.83 3k41 n VAL 131 N 1.13 1.24 -3.61 3.83 0.31 0.75 -4.89 118.33 117.09 3k41 n VAL 131 Ca -0.01 -0.24 -0.02 0.00 -0.01 0.00 0.00 64.34 64.06 3k41 n VAL 131 Cb 0.45 -1.85 -0.01 0.00 -0.91 0.00 0.00 33.84 31.51 3k41 n VAL 131 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3k41 s SER 132 N -6.83 -0.12 -0.23 4.52 1.04 -1.04 -5.00 113.70 106.04 3k41 s SER 132 Ca -0.30 -0.08 0.02 0.00 0.48 0.00 0.00 55.95 56.07 3k41 s SER 132 Cb 0.11 0.18 0.04 0.00 0.10 0.00 0.00 66.02 66.45 3k41 s SER 132 CO 0.38 -0.32 -0.14 -0.70 0.98 0.00 0.00 173.24 173.44 3k41 s GLU 133 N -2.51 2.61 -0.72 4.02 2.12 -1.26 0.64 118.70 123.60 3k41 s GLU 133 Ca 0.11 -1.10 -0.22 0.00 0.36 0.00 0.00 54.97 54.12 3k41 s GLU 133 Cb 0.01 -2.77 0.08 0.00 0.26 0.00 0.00 34.13 31.71 3k41 s GLU 133 CO -0.04 -0.41 1.04 -2.00 -0.54 0.00 0.00 175.26 173.31 3k41 s GLU 134 N 1.20 3.21 -0.12 4.30 2.56 0.15 -4.78 118.70 125.22 3k41 s GLU 134 Ca -0.02 -0.93 0.16 0.00 0.00 0.00 0.00 54.97 54.18 3k41 s GLU 134 Cb -0.17 -4.38 0.26 0.00 2.00 0.00 0.00 34.13 31.85 3k41 s GLU 134 CO -0.08 -1.86 1.14 2.89 -0.56 0.00 0.00 175.26 176.79 3k41 n ARG 135 N 7.73 1.14 -0.22 4.30 1.85 -1.26 -1.79 116.66 128.40 3k41 n ARG 135 Ca 0.02 -2.43 0.11 0.00 -1.00 0.00 0.00 57.85 54.55 3k41 n ARG 135 Cb 0.46 -1.38 0.26 0.00 -1.05 0.00 0.00 32.46 30.76 3k41 n ARG 135 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3k41 n GLY 136 N -1.24 1.61 3.92 2.89 0.00 -1.26 -4.42 105.19 106.69 3k41 n GLY 136 Ca 0.14 -0.68 -0.20 0.00 0.00 0.00 0.00 46.02 45.28 3k41 n GLY 136 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3k41 s MET 137 N -1.41 3.03 0.06 1.61 -1.94 -1.26 -5.00 119.30 114.38 3k41 s MET 137 Ca 0.39 -1.06 0.26 0.00 -1.71 0.00 0.00 55.69 53.57 3k41 s MET 137 Cb 0.22 -2.69 0.71 0.00 2.01 0.00 0.00 34.83 35.07 3k41 s MET 137 CO 0.30 0.18 1.58 1.33 -0.01 0.00 0.00 175.02 178.40 3k41 n VAL 138 N -1.46 0.17 -3.59 -6.03 0.24 -1.26 -3.37 118.33 103.02 3k41 n VAL 138 Ca -0.03 -0.10 -0.07 0.00 -2.04 0.00 0.00 64.34 62.09 3k41 n VAL 138 Cb 0.58 -0.16 -0.02 0.00 -1.47 0.00 0.00 33.84 32.78 3k41 n VAL 138 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3k41 s GLN 139 N -3.05 1.06 -0.98 7.34 -2.07 -1.26 -2.17 119.66 118.52 3k41 s GLN 139 Ca 0.11 -0.47 -0.04 0.00 -1.82 0.00 0.00 55.36 53.14 3k41 s GLN 139 Cb 0.16 0.43 0.00 0.00 -1.09 0.00 0.00 33.01 32.52 3k41 s GLN 139 CO 0.64 -0.47 0.48 -3.47 -1.32 0.00 0.00 175.29 171.15 3k41 n ASP 140 N -0.35 -4.60 -4.74 12.60 2.03 -1.26 -5.02 116.55 115.22 3k41 n ASP 140 Ca -0.09 -0.22 -0.29 0.00 0.52 0.00 0.00 54.79 54.71 3k41 n ASP 140 Cb 0.62 -3.40 0.11 0.00 -0.72 0.00 0.00 41.12 37.73 3k41 n ASP 140 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3k41 s PHE 142 N -3.63 -0.20 -0.19 0.00 -0.71 -0.74 -4.61 117.98 107.90 3k41 s PHE 142 Ca 0.65 0.16 -0.08 0.00 -1.04 0.00 0.00 56.93 56.62 3k41 s PHE 142 Cb -0.10 0.51 -0.04 0.00 -1.21 0.00 0.00 43.02 42.18 3k41 s PHE 142 CO 0.50 -0.29 0.08 0.71 -1.34 0.00 0.00 175.22 174.88 3k41 s TYR 143 N -2.38 3.27 -0.12 3.49 1.51 0.04 0.29 117.35 123.46 3k41 s TYR 143 Ca 0.07 0.11 -0.03 0.00 -1.01 0.00 0.00 57.07 56.21 3k41 s TYR 143 Cb -0.01 -2.10 -0.03 0.00 -0.11 0.00 0.00 41.96 39.70 3k41 s TYR 143 CO -0.05 0.16 -0.01 -1.17 -1.11 0.00 0.00 175.55 173.36 3k41 s LEU 144 N 0.43 3.45 0.20 -1.29 2.96 0.21 -0.84 118.68 123.80 3k41 s LEU 144 Ca 0.04 0.03 0.01 0.00 -0.22 0.00 0.00 54.13 53.99 3k41 s LEU 144 Cb -0.12 -1.81 -0.05 0.00 0.50 0.00 0.00 46.19 44.71 3k41 s LEU 144 CO 0.00 0.28 0.05 -0.36 -1.32 0.00 0.00 176.35 175.00 3k41 s PHE 145 N -0.29 1.26 0.05 5.38 0.40 0.58 -0.18 117.98 125.19 3k41 s PHE 145 Ca 0.06 -1.12 0.00 0.00 -0.60 0.00 0.00 56.93 55.27 3k41 s PHE 145 Cb -0.12 -0.72 -0.03 0.00 0.51 0.00 0.00 43.02 42.65 3k41 s PHE 145 CO 0.02 -0.32 -0.05 -1.83 0.70 0.00 0.00 175.22 173.74 3k41 s GLU 146 N -3.99 0.59 -0.03 0.44 -1.05 -0.23 -0.69 118.70 113.74 3k41 s GLU 146 Ca 0.29 -1.04 -0.29 0.00 -0.15 0.00 0.00 54.97 53.79 3k41 s GLU 146 Cb 0.07 -0.01 0.09 0.00 -0.44 0.00 0.00 34.13 33.84 3k41 s GLU 146 CO 0.07 -0.05 0.77 1.41 0.95 0.00 0.00 175.26 178.42 3k41 s MET 147 N -2.97 0.95 0.01 -4.83 1.75 -0.74 -0.78 119.30 112.69 3k41 s MET 147 Ca 0.00 -0.00 -0.00 0.00 -1.25 0.00 0.00 55.69 54.44 3k41 s MET 147 Cb 0.00 0.45 -0.04 0.00 2.84 0.00 0.00 34.83 38.08 3k41 s MET 147 CO -0.05 -0.35 0.10 -0.51 -0.65 0.00 0.00 175.02 173.57 3k41 s ASP 148 N -1.69 5.79 -0.28 1.11 1.01 0.02 -0.85 116.67 121.79 3k41 s ASP 148 Ca -0.04 0.16 -0.20 0.00 0.71 0.00 0.00 52.55 53.18 3k41 s ASP 148 Cb -0.00 -1.68 0.10 0.00 1.01 0.00 0.00 42.92 42.34 3k41 s ASP 148 CO 0.00 0.25 0.82 -0.55 0.21 0.00 0.00 175.17 175.90 3k41 s SER 149 N -1.89 -0.72 0.58 0.27 0.15 -0.46 -1.86 113.70 109.78 3k41 s SER 149 Ca 0.25 1.24 0.36 0.00 0.70 0.00 0.00 55.95 58.50 3k41 s SER 149 Cb -0.12 1.28 1.63 0.00 -1.71 0.00 0.00 66.02 67.10 3k41 s SER 149 CO 0.16 -0.20 2.08 0.77 1.20 0.00 0.00 173.24 177.25 3k41 h SER 150 N 5.81 0.00 0.57 5.45 4.64 -0.50 -2.84 113.55 126.68 3k41 h SER 150 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3k41 h SER 150 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3k41 h SER 150 CO 0.13 0.01 0.00 0.18 -0.87 0.00 0.00 176.83 176.28 3k41 n LEU 151 N -3.10 0.44 0.00 5.97 4.77 -1.26 -2.02 117.00 121.79 3k41 n LEU 151 Ca -0.00 0.62 0.12 0.00 -0.03 0.00 0.00 56.01 56.71 3k41 n LEU 151 Cb 0.25 -0.57 0.17 0.00 -2.33 0.00 0.00 43.42 40.93 3k41 n LEU 151 CO 0.26 -0.50 0.34 0.00 -1.33 0.00 0.00 177.39 176.16 3k41 n ALA 152 N -1.68 3.81 -1.68 -1.18 0.00 -1.09 -4.95 120.51 113.75 3k41 n ALA 152 Ca 0.02 -0.40 -0.34 0.00 0.00 0.00 0.00 53.44 52.72 3k41 n ALA 152 Cb 0.19 -1.04 0.01 0.00 0.00 0.00 0.00 19.45 18.60 3k41 n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50