#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k43 s LYS 4 N 0.00 4.39 0.00 5.31 1.02 -1.26 -5.02 119.74 124.17 3k43 s LYS 4 Ca 0.00 2.10 0.00 0.00 0.02 0.00 0.00 55.97 58.09 3k43 s LYS 4 Cb 0.00 -3.15 0.00 0.00 -0.52 0.00 0.00 37.83 34.16 3k43 s LYS 4 CO 0.00 -0.21 0.00 -2.37 -0.92 0.00 0.00 175.35 171.85 3k43 n THR 5 N 2.02 0.00 -2.12 2.17 5.66 -1.26 -4.76 114.28 115.99 3k43 n THR 5 Ca 0.04 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.66 3k43 n THR 5 Cb 0.42 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.20 3k43 n THR 5 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3k43 s ASP 7 N -0.98 4.07 0.07 0.00 1.01 -0.02 -4.98 116.67 115.84 3k43 s ASP 7 Ca 0.60 -0.89 -0.31 0.00 0.71 0.00 0.00 52.55 52.66 3k43 s ASP 7 Cb -0.35 -1.61 -0.07 0.00 1.01 0.00 0.00 42.92 41.91 3k43 s ASP 7 CO 0.43 -0.10 1.33 -0.76 0.21 0.00 0.00 175.17 176.28 3k43 s LEU 8 N 1.29 4.35 -0.95 1.23 1.43 -1.26 -1.02 118.68 123.75 3k43 s LEU 8 Ca 0.00 2.17 -0.25 0.00 -1.03 0.00 0.00 54.13 55.02 3k43 s LEU 8 Cb -0.16 -3.58 -0.14 0.00 0.03 0.00 0.00 46.19 42.34 3k43 s LEU 8 CO -0.06 -0.61 2.17 -0.69 0.23 0.00 0.00 176.35 177.38 3k43 s VAL 9 N 1.43 3.18 0.00 -1.59 1.01 0.84 -4.84 120.40 120.42 3k43 s VAL 9 Ca 0.62 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.38 3k43 s VAL 9 Cb -0.33 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.33 3k43 s VAL 9 CO 0.29 -0.35 0.00 0.61 0.00 0.00 0.00 175.10 175.65 3k43 n GLY 10 N 6.49 0.27 2.21 4.51 0.00 -1.26 -5.01 105.19 112.39 3k43 n GLY 10 Ca 0.44 -1.38 -0.24 0.00 0.00 0.00 0.00 46.02 44.84 3k43 n GLY 10 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3k43 n GLU 15 N 0.00 0.85 -1.69 1.61 4.07 -1.26 -5.11 120.64 119.11 3k43 n GLU 15 Ca 0.00 -3.32 -0.62 0.00 -0.06 0.00 0.00 57.16 53.15 3k43 n GLU 15 Cb 0.00 -1.31 -0.09 0.00 -0.06 0.00 0.00 31.44 29.98 3k43 n GLU 15 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 3k43 n SER 16 N 1.28 1.42 0.16 4.31 2.88 -1.26 -4.80 113.62 117.62 3k43 n SER 16 Ca 0.22 1.15 0.12 0.00 -1.33 0.00 0.00 58.87 59.02 3k43 n SER 16 Cb 0.53 -0.99 0.14 0.00 -0.75 0.00 0.00 64.21 63.14 3k43 n SER 16 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 3k43 h GLU 17 N 5.33 0.00 -0.24 -1.46 4.11 -1.99 -2.51 114.58 117.82 3k43 h GLU 17 Ca -0.46 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 58.85 3k43 h GLU 17 Cb 1.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 3k43 h GLU 17 CO 0.91 0.00 -0.36 -0.22 0.07 0.00 0.00 179.01 179.41 3k43 h LYS 18 N 0.00 0.52 0.00 1.06 3.64 -1.99 -0.75 116.57 119.05 3k43 h LYS 18 Ca 0.00 -0.24 -0.15 0.00 -1.27 0.00 0.00 60.65 58.99 3k43 h LYS 18 Cb 0.96 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.75 3k43 h LYS 18 CO 0.00 0.81 -0.72 1.96 -2.27 0.00 0.00 179.45 179.22 3k43 h GLN 19 N 0.44 0.00 -0.15 1.90 4.20 -1.84 -2.39 115.11 117.27 3k43 h GLN 19 Ca 0.05 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.58 3k43 h GLN 19 Cb 0.83 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.60 3k43 h GLN 19 CO 0.07 0.72 -0.65 -0.07 -0.67 0.00 0.00 178.83 178.23 3k43 h LEU 20 N 0.00 0.63 -0.59 1.46 3.38 -1.06 -1.39 115.31 117.74 3k43 h LEU 20 Ca -0.01 -0.38 -0.14 0.00 0.09 0.00 0.00 57.88 57.45 3k43 h LEU 20 Cb 1.51 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 3k43 h LEU 20 CO 0.09 1.11 -0.40 0.00 0.09 0.00 0.00 178.44 179.34 3k43 h ALA 21 N 0.89 0.77 -0.50 1.53 0.00 -1.15 -2.14 119.26 118.65 3k43 h ALA 21 Ca -0.01 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 3k43 h ALA 21 Cb 1.22 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3k43 h ALA 21 CO 0.12 0.66 0.10 -0.07 0.00 0.00 0.00 179.25 180.05 3k43 h LEU 22 N 0.56 0.72 -0.67 0.00 3.38 -1.28 -1.41 115.31 116.60 3k43 h LEU 22 Ca 0.05 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 3k43 h LEU 22 Cb 0.93 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 3k43 h LEU 22 CO 0.08 0.72 0.24 -0.07 0.09 0.00 0.00 178.44 179.51 3k43 h LEU 23 N 0.74 0.95 -0.99 1.67 3.38 -0.74 -2.37 115.31 117.96 3k43 h LEU 23 Ca 0.16 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 3k43 h LEU 23 Cb 0.31 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3k43 h LEU 23 CO 0.00 0.89 -0.50 0.11 0.09 0.00 0.00 178.44 179.03 3k43 h LYS 24 N 0.97 0.00 0.00 1.13 1.57 -0.92 -2.79 116.57 116.53 3k43 h LYS 24 Ca 0.22 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.95 3k43 h LYS 24 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 3k43 h LYS 24 CO -0.01 0.50 -0.24 -0.09 -0.57 0.00 0.00 179.45 179.04 3k43 h ARG 25 N 0.00 0.00 -0.13 3.15 2.43 -0.76 -2.80 114.38 116.27 3k43 h ARG 25 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3k43 h ARG 25 Cb 0.90 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 3k43 h ARG 25 CO 0.06 0.24 0.00 1.28 -1.51 0.00 0.00 179.97 180.04 3k43 n LEU 26 N -3.78 2.53 -0.35 3.80 4.77 -1.04 -4.52 117.00 118.41 3k43 n LEU 26 Ca -0.01 -0.94 0.24 0.00 -0.03 0.00 0.00 56.01 55.27 3k43 n LEU 26 Cb 0.34 -0.07 0.49 0.00 -2.33 0.00 0.00 43.42 41.84 3k43 n LEU 26 CO 0.34 0.47 1.17 0.74 -1.33 0.00 0.00 177.39 178.78 3k43 h THR 27 N 3.70 0.39 0.00 -5.08 2.02 -1.45 0.00 112.91 112.50 3k43 h THR 27 Ca 0.00 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.05 3k43 h THR 27 Cb 0.80 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 3k43 h THR 27 CO 0.00 0.07 0.03 -2.65 0.37 0.00 0.00 175.52 173.34 3k43 n PRO 28 N -4.84 0.13 -0.00 6.66 -0.02 -1.26 -1.37 135.00 134.30 3k43 n PRO 28 Ca 0.30 0.63 0.10 0.00 -2.02 0.00 0.00 63.50 62.50 3k43 n PRO 28 Cb 0.96 -1.98 -0.12 0.00 -0.02 0.00 0.00 33.50 32.34 3k43 n PRO 28 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3k43 n LEU 29 N -2.24 0.76 -0.35 2.45 4.77 -0.01 -4.57 117.00 117.81 3k43 n LEU 29 Ca -0.01 -0.40 0.14 0.00 -0.03 0.00 0.00 56.01 55.71 3k43 n LEU 29 Cb 0.07 0.00 0.34 0.00 -2.33 0.00 0.00 43.42 41.49 3k43 n LEU 29 CO 0.09 0.19 1.19 -0.26 -1.33 0.00 0.00 177.39 177.27 3k43 h PHE 30 N 0.00 1.05 -0.52 -1.77 -1.00 -1.28 -1.13 116.94 112.29 3k43 h PHE 30 Ca 0.00 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.81 3k43 h PHE 30 Cb 0.58 -0.32 0.00 0.00 3.61 0.00 0.00 35.95 39.82 3k43 h PHE 30 CO 0.00 0.22 0.00 1.04 -1.61 0.00 0.00 178.31 177.96 3k43 n GLN 31 N -4.77 2.26 -3.48 1.51 1.13 -1.26 -4.54 117.38 108.23 3k43 n GLN 31 Ca 0.24 -1.95 -0.26 0.00 -1.94 0.00 0.00 57.00 53.09 3k43 n GLN 31 Cb 0.60 -1.43 -0.02 0.00 0.11 0.00 0.00 30.24 29.50 3k43 n GLN 31 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3k43 s LYS 32 N -1.31 3.53 -0.11 -1.09 1.02 -0.43 -5.09 119.74 116.26 3k43 s LYS 32 Ca 0.37 -0.27 0.01 0.00 0.02 0.00 0.00 55.97 56.10 3k43 s LYS 32 Cb 0.19 -2.71 0.02 0.00 -0.52 0.00 0.00 37.83 34.80 3k43 s LYS 32 CO 0.25 0.24 -0.14 0.45 -0.92 0.00 0.00 175.35 175.24 3k43 s SER 33 N -3.58 2.38 -0.13 2.83 0.15 -1.26 -4.60 113.70 109.49 3k43 s SER 33 Ca 0.40 -0.41 -0.04 0.00 0.70 0.00 0.00 55.95 56.60 3k43 s SER 33 Cb -0.10 -1.05 -0.03 0.00 -1.71 0.00 0.00 66.02 63.12 3k43 s SER 33 CO 0.32 -0.00 0.01 -0.36 1.20 0.00 0.00 173.24 174.42 3k43 s PHE 34 N 1.06 3.17 0.00 3.44 0.40 -0.37 -4.98 117.98 120.71 3k43 s PHE 34 Ca -0.05 0.04 -0.02 0.00 -0.60 0.00 0.00 56.93 56.30 3k43 s PHE 34 Cb -0.15 -1.92 -0.01 0.00 0.51 0.00 0.00 43.02 41.45 3k43 s PHE 34 CO -0.02 0.26 0.03 -2.00 0.70 0.00 0.00 175.22 174.18 3k43 s GLU 35 N -0.20 0.28 -0.21 0.44 -6.30 -1.26 0.10 118.70 111.55 3k43 s GLU 35 Ca 0.06 -0.36 -0.15 0.00 -2.50 0.00 0.00 54.97 52.02 3k43 s GLU 35 Cb -0.12 0.11 0.06 0.00 0.00 0.00 0.00 34.13 34.17 3k43 s GLU 35 CO 0.02 -0.05 0.53 0.45 0.02 0.00 0.00 175.26 176.23 3k43 s SER 36 N -1.00 -0.63 -0.17 -1.70 0.15 0.19 -4.88 113.70 105.66 3k43 s SER 36 Ca -0.11 1.13 -0.01 0.00 0.70 0.00 0.00 55.95 57.65 3k43 s SER 36 Cb -0.07 1.07 -0.01 0.00 -1.71 0.00 0.00 66.02 65.30 3k43 s SER 36 CO -0.00 -0.20 -0.11 -0.89 1.20 0.00 0.00 173.24 173.24 3k43 s THR 37 N 0.92 3.05 0.50 6.45 2.01 -1.26 0.79 115.64 128.11 3k43 s THR 37 Ca -0.05 -0.63 0.01 0.00 0.31 0.00 0.00 61.69 61.33 3k43 s THR 37 Cb -0.05 -2.32 -0.01 0.00 0.01 0.00 0.00 72.50 70.12 3k43 s THR 37 CO -0.08 0.49 0.02 0.68 -0.69 0.00 0.00 174.62 175.04 3k43 s VAL 38 N 0.83 1.05 0.00 3.82 -7.23 -0.19 -4.95 120.40 113.73 3k43 s VAL 38 Ca -0.04 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.13 3k43 s VAL 38 Cb -0.15 -2.15 0.00 0.00 0.56 0.00 0.00 36.38 34.64 3k43 s VAL 38 CO 0.01 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.41 3k43 n GLY 39 N -1.23 -1.53 3.01 2.32 0.00 -1.26 -1.08 105.19 105.42 3k43 n GLY 39 Ca -0.18 -1.53 -0.11 0.00 0.00 0.00 0.00 46.02 44.20 3k43 n GLY 39 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k43 s GLN 40 N -1.45 0.40 0.11 1.61 -0.21 -1.25 -4.65 119.66 114.23 3k43 s GLN 40 Ca 0.00 -0.66 -0.34 0.00 0.02 0.00 0.00 55.36 54.38 3k43 s GLN 40 Cb 0.00 -0.07 -0.18 0.00 1.00 0.00 0.00 33.01 33.76 3k43 s GLN 40 CO 0.00 -0.00 0.92 0.45 -2.12 0.00 0.00 175.29 174.53 3k43 n SER 41 N 1.58 -0.08 -0.26 5.90 2.88 -1.26 -0.07 113.62 122.31 3k43 n SER 41 Ca -0.23 1.15 0.14 0.00 -1.33 0.00 0.00 58.87 58.59 3k43 n SER 41 Cb 0.55 -1.00 0.49 0.00 -0.75 0.00 0.00 64.21 63.50 3k43 n SER 41 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3k43 n PRO 42 N 1.41 1.01 -0.28 -1.46 -0.04 -1.26 -4.90 135.00 129.47 3k43 n PRO 42 Ca 0.18 -0.53 0.00 0.00 -0.04 0.00 0.00 63.50 63.11 3k43 n PRO 42 Cb 0.17 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 3k43 n PRO 42 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3k43 n ASP 43 N -0.53 4.16 -4.73 3.54 10.43 0.90 -4.42 116.55 125.90 3k43 n ASP 43 Ca 0.15 -2.15 -0.41 0.00 2.57 0.00 0.00 54.79 54.94 3k43 n ASP 43 Cb 0.32 -0.83 -0.04 0.00 1.84 0.00 0.00 41.12 42.42 3k43 n ASP 43 CO 0.00 0.00 0.00 -0.04 -1.07 0.00 0.00 177.20 176.09 3k43 s MET 44 N 0.09 4.61 -0.05 -1.24 -1.94 -1.22 -3.76 119.30 115.79 3k43 s MET 44 Ca 0.00 1.57 0.05 0.00 -1.71 0.00 0.00 55.69 55.60 3k43 s MET 44 Cb 0.00 -3.36 -0.01 0.00 2.01 0.00 0.00 34.83 33.48 3k43 s MET 44 CO 0.00 0.07 -0.21 0.71 -0.01 0.00 0.00 175.02 175.58 3k43 s TYR 45 N 0.22 2.07 -0.22 -0.03 1.51 -0.24 -1.03 117.35 119.64 3k43 s TYR 45 Ca 0.50 -0.58 -0.06 0.00 -1.01 0.00 0.00 57.07 55.91 3k43 s TYR 45 Cb -0.26 -1.37 -0.03 0.00 -0.11 0.00 0.00 41.96 40.20 3k43 s TYR 45 CO 0.31 -0.17 0.04 0.45 -1.11 0.00 0.00 175.55 175.07 3k43 s SER 46 N -0.12 5.06 -0.28 2.29 0.15 0.99 -1.02 113.70 120.77 3k43 s SER 46 Ca -0.02 -0.17 -0.10 0.00 0.70 0.00 0.00 55.95 56.35 3k43 s SER 46 Cb -0.12 -1.89 -0.04 0.00 -1.71 0.00 0.00 66.02 62.26 3k43 s SER 46 CO 0.02 0.03 0.17 -0.31 1.20 0.00 0.00 173.24 174.35 3k43 s TYR 47 N 1.24 3.19 -0.14 3.44 1.51 0.24 0.25 117.35 127.08 3k43 s TYR 47 Ca 0.04 -0.03 -0.01 0.00 -1.01 0.00 0.00 57.07 56.06 3k43 s TYR 47 Cb -0.15 -2.36 -0.02 0.00 -0.11 0.00 0.00 41.96 39.33 3k43 s TYR 47 CO 0.02 -0.22 -0.11 0.08 -1.11 0.00 0.00 175.55 174.21 3k43 s VAL 48 N 1.72 3.19 -0.01 0.71 1.01 -0.76 -0.64 120.40 125.64 3k43 s VAL 48 Ca 0.07 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 61.51 3k43 s VAL 48 Cb -0.16 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 3k43 s VAL 48 CO 0.09 0.51 -0.21 0.12 0.00 0.00 0.00 175.10 175.62 3k43 s PHE 49 N 0.46 1.85 0.04 5.22 5.36 0.28 -1.50 117.98 129.69 3k43 s PHE 49 Ca -0.08 -0.35 0.02 0.00 -0.96 0.00 0.00 56.93 55.55 3k43 s PHE 49 Cb -0.15 -1.17 -0.02 0.00 -0.34 0.00 0.00 43.02 41.33 3k43 s PHE 49 CO 0.04 -0.01 -0.07 1.03 -1.46 0.00 0.00 175.22 174.75 3k43 s ARG 50 N -0.60 0.49 -0.47 10.12 0.52 0.36 -1.23 118.95 128.15 3k43 s ARG 50 Ca 0.08 -0.74 -0.16 0.00 -0.52 0.00 0.00 55.73 54.39 3k43 s ARG 50 Cb -0.08 -0.22 0.06 0.00 0.52 0.00 0.00 34.95 35.23 3k43 s ARG 50 CO -0.00 0.03 0.44 0.08 0.02 0.00 0.00 175.30 175.87 3k43 s VAL 51 N -1.42 5.15 -1.79 3.52 1.01 -1.26 -4.40 120.40 121.21 3k43 s VAL 51 Ca -0.11 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.02 3k43 s VAL 51 Cb -0.10 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.14 3k43 s VAL 51 CO 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 175.10 174.51 3k43 s ARG 53 N -3.40 0.81 0.03 0.00 1.81 -1.26 -4.08 118.95 112.86 3k43 s ARG 53 Ca 0.00 -1.22 -0.30 0.00 -1.72 0.00 0.00 55.73 52.49 3k43 s ARG 53 Cb 0.00 -0.34 -0.05 0.00 -0.45 0.00 0.00 34.95 34.11 3k43 s ARG 53 CO 0.00 0.03 1.24 -2.00 -0.68 0.00 0.00 175.30 173.88 3k43 s GLU 54 N -3.24 4.39 0.24 3.54 2.12 -1.26 -4.46 118.70 120.03 3k43 s GLU 54 Ca 0.07 1.79 0.04 0.00 0.36 0.00 0.00 54.97 57.23 3k43 s GLU 54 Cb 0.01 -3.42 -0.03 0.00 0.26 0.00 0.00 34.13 30.94 3k43 s GLU 54 CO -0.02 -0.36 0.37 0.00 -0.54 0.00 0.00 175.26 174.72 3k43 s ALA 55 N 1.52 3.90 0.00 6.30 0.00 0.21 -4.95 121.76 128.73 3k43 s ALA 55 Ca 0.59 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.43 3k43 s ALA 55 Cb -0.29 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.02 3k43 s ALA 55 CO 0.27 0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.71 3k43 n GLY 56 N -1.25 -1.39 0.01 0.00 0.00 -1.26 -4.59 105.19 96.71 3k43 n GLY 56 Ca -0.08 -1.56 0.03 0.00 0.00 0.00 0.00 46.02 44.41 3k43 n GLY 56 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k43 n GLN 57 N -1.47 0.73 -2.28 1.61 1.13 -1.26 -4.72 117.38 111.12 3k43 n GLN 57 Ca 0.00 -0.08 -0.06 0.00 -1.94 0.00 0.00 57.00 54.92 3k43 n GLN 57 Cb 0.00 -1.25 0.05 0.00 0.11 0.00 0.00 30.24 29.14 3k43 n GLN 57 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3k43 n HIS 58 N -1.97 1.46 -3.44 1.08 8.25 -1.26 -4.96 115.22 114.39 3k43 n HIS 58 Ca -0.05 -1.92 -0.27 0.00 -0.26 0.00 0.00 57.72 55.22 3k43 n HIS 58 Cb 0.39 -0.25 -0.10 0.00 1.12 0.00 0.00 29.99 31.14 3k43 n HIS 58 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3k43 n SER 59 N -0.54 -0.04 -4.67 0.41 7.64 -1.26 -5.01 113.62 110.16 3k43 n SER 59 Ca 0.19 -2.49 -0.47 0.00 1.01 0.00 0.00 58.87 57.11 3k43 n SER 59 Cb 0.88 -0.58 -0.05 0.00 -1.01 0.00 0.00 64.21 63.46 3k43 n SER 59 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3k43 n SER 60 N 2.65 3.02 0.00 6.43 7.64 -1.26 -1.84 113.62 130.27 3k43 n SER 60 Ca 0.28 1.06 0.00 0.00 1.01 0.00 0.00 58.87 61.23 3k43 n SER 60 Cb 0.47 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 3k43 n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k43 n GLY 61 N 3.55 1.41 3.73 0.23 0.00 -1.26 -5.04 105.19 107.82 3k43 n GLY 61 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3k43 n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k43 s ALA 62 N -3.14 3.28 -0.34 4.61 0.00 -0.76 -2.63 121.76 122.77 3k43 s ALA 62 Ca 0.00 0.63 0.19 0.00 0.00 0.00 0.00 51.96 52.78 3k43 s ALA 62 Cb 0.00 -3.29 -0.26 0.00 0.00 0.00 0.00 23.12 19.57 3k43 s ALA 62 CO 0.00 -0.04 0.55 0.41 0.00 0.00 0.00 175.76 176.69 3k43 n GLY 63 N 2.12 -0.82 3.49 0.00 0.00 0.22 0.63 105.19 110.82 3k43 n GLY 63 Ca 0.02 -0.48 -0.06 0.00 0.00 0.00 0.00 46.02 45.50 3k43 n GLY 63 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k43 s LEU 64 N -3.78 -0.83 0.17 0.99 0.20 -1.09 -0.48 118.68 113.86 3k43 s LEU 64 Ca -0.02 1.31 0.08 0.00 0.69 0.00 0.00 54.13 56.19 3k43 s LEU 64 Cb 0.13 1.93 -0.04 0.00 -0.43 0.00 0.00 46.19 47.77 3k43 s LEU 64 CO 0.78 -0.22 -0.16 0.68 -0.29 0.00 0.00 176.35 177.13 3k43 s VAL 65 N 2.37 1.68 -0.22 1.68 -7.23 -0.56 -1.65 120.40 116.46 3k43 s VAL 65 Ca -0.06 -1.95 -0.06 0.00 -1.81 0.00 0.00 61.98 58.09 3k43 s VAL 65 Cb -0.10 -1.83 -0.03 0.00 0.56 0.00 0.00 36.38 34.98 3k43 s VAL 65 CO -0.17 -0.41 0.04 -1.58 -0.31 0.00 0.00 175.10 172.67 3k43 s GLN 66 N -3.00 3.71 -0.20 4.82 0.74 -0.13 -1.82 119.66 123.79 3k43 s GLN 66 Ca 0.16 -0.46 -0.03 0.00 0.05 0.00 0.00 55.36 55.08 3k43 s GLN 66 Cb -0.04 -3.21 -0.01 0.00 1.10 0.00 0.00 33.01 30.85 3k43 s GLN 66 CO 0.06 -0.01 -0.08 0.42 -0.55 0.00 0.00 175.29 175.13 3k43 s ILE 67 N 1.12 3.15 -0.23 -2.34 1.01 0.14 -1.60 121.20 122.44 3k43 s ILE 67 Ca 0.04 -0.58 -0.29 0.00 0.00 0.00 0.00 60.65 59.82 3k43 s ILE 67 Cb -0.14 -2.40 -0.01 0.00 0.01 0.00 0.00 42.46 39.91 3k43 s ILE 67 CO 0.03 0.46 1.41 -1.58 0.00 0.00 0.00 174.94 175.25 3k43 s GLN 68 N 1.24 3.96 0.43 2.79 0.74 -0.75 -0.01 119.66 128.06 3k43 s GLN 68 Ca 0.03 1.51 0.10 0.00 0.05 0.00 0.00 55.36 57.05 3k43 s GLN 68 Cb -0.14 -3.91 0.95 0.00 1.10 0.00 0.00 33.01 31.00 3k43 s GLN 68 CO -0.03 -1.07 2.05 0.87 -0.55 0.00 0.00 175.29 176.56 3k43 h LYS 69 N 9.52 0.34 -0.20 1.67 1.57 -1.40 0.67 116.57 128.74 3k43 h LYS 69 Ca -0.29 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.50 3k43 h LYS 69 Cb 1.12 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.32 3k43 h LYS 69 CO 1.01 0.27 -0.06 0.66 -0.57 0.00 0.00 179.45 180.76 3k43 h SER 70 N 0.35 -0.21 0.00 0.86 4.64 -1.77 -3.36 113.55 114.05 3k43 h SER 70 Ca 0.09 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3k43 h SER 70 Cb 0.05 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3k43 h SER 70 CO -0.01 -0.08 0.00 -0.46 -0.87 0.00 0.00 176.83 175.41 3k43 n ASN 71 N -5.21 0.50 0.00 4.97 0.23 -1.16 -5.03 115.26 109.56 3k43 n ASN 71 Ca -0.02 -0.81 0.00 0.00 -0.53 0.00 0.00 54.58 53.22 3k43 n ASN 71 Cb 0.13 0.21 0.00 0.00 -2.08 0.00 0.00 39.78 38.05 3k43 n ASN 71 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3k43 n GLY 72 N 0.21 0.61 3.70 4.83 0.00 0.23 -5.00 105.19 109.77 3k43 n GLY 72 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3k43 n GLY 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3k43 s LYS 73 N -0.11 4.15 -0.14 1.61 2.20 -1.24 -4.67 119.74 121.54 3k43 s LYS 73 Ca 0.00 2.54 -0.07 0.00 -0.36 0.00 0.00 55.97 58.08 3k43 s LYS 73 Cb 0.00 -3.47 -0.04 0.00 -1.51 0.00 0.00 37.83 32.81 3k43 s LYS 73 CO 0.00 -0.79 0.11 -1.21 -0.36 0.00 0.00 175.35 173.10 3k43 s GLU 74 N 2.32 3.63 -0.14 4.03 2.02 -1.26 -1.81 118.70 127.48 3k43 s GLU 74 Ca 0.78 -0.22 0.01 0.00 0.02 0.00 0.00 54.97 55.56 3k43 s GLU 74 Cb -0.46 -3.19 0.02 0.00 0.10 0.00 0.00 34.13 30.60 3k43 s GLU 74 CO 0.35 0.59 -0.17 0.99 0.02 0.00 0.00 175.26 177.03 3k43 s THR 75 N -0.49 1.75 -0.03 3.63 2.01 -0.63 -4.99 115.64 116.89 3k43 s THR 75 Ca 0.11 -0.77 -0.30 0.00 0.31 0.00 0.00 61.69 61.05 3k43 s THR 75 Cb -0.12 -1.59 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 3k43 s THR 75 CO 0.02 0.49 1.06 -0.69 -0.69 0.00 0.00 174.62 174.81 3k43 s VAL 76 N 1.17 4.59 -0.18 3.82 1.01 -1.26 -0.96 120.40 128.60 3k43 s VAL 76 Ca -0.01 1.87 0.02 0.00 0.00 0.00 0.00 61.98 63.86 3k43 s VAL 76 Cb -0.14 -4.20 -0.22 0.00 0.00 0.00 0.00 36.38 31.82 3k43 s VAL 76 CO -0.07 0.08 0.12 0.52 0.00 0.00 0.00 175.10 175.75 3k43 n VAL 77 N 4.21 1.60 -3.56 2.92 0.31 -0.66 -0.67 118.33 122.49 3k43 n VAL 77 Ca 0.08 -0.66 -0.17 0.00 -0.01 0.00 0.00 64.34 63.58 3k43 n VAL 77 Cb 0.49 -1.39 -0.06 0.00 -0.91 0.00 0.00 33.84 31.96 3k43 n VAL 77 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3k43 s GLY 78 N -5.91 -0.51 -0.08 2.92 0.00 -1.10 -1.79 107.32 100.85 3k43 s GLY 78 Ca -0.24 1.13 0.01 0.00 0.00 0.00 0.00 44.72 45.62 3k43 s GLY 78 CO 0.71 0.79 -0.10 0.50 0.00 0.00 0.00 173.10 175.00 3k43 s ARG 79 N -1.31 2.84 0.00 2.90 0.52 -0.66 -0.61 118.95 122.62 3k43 s ARG 79 Ca -0.11 -0.62 0.00 0.00 -0.52 0.00 0.00 55.73 54.48 3k43 s ARG 79 Cb -0.01 -2.55 0.00 0.00 0.52 0.00 0.00 34.95 32.92 3k43 s ARG 79 CO 0.08 0.54 0.89 1.97 0.02 0.00 0.00 175.30 178.80 3k43 n PHE 80 N 2.57 0.00 1.09 -0.53 1.16 -1.08 -2.30 117.46 118.36 3k43 n PHE 80 Ca -0.18 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.52 3k43 n PHE 80 Cb 0.53 -0.00 0.14 0.00 -1.61 0.00 0.00 39.48 38.53 3k43 n PHE 80 CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 3k43 n ASN 81 N -0.48 2.27 -3.23 5.98 6.94 -1.26 -0.84 115.26 124.64 3k43 n ASN 81 Ca 0.00 -1.65 -0.24 0.00 -0.02 0.00 0.00 54.58 52.67 3k43 n ASN 81 Cb 0.01 0.19 -0.07 0.00 -2.36 0.00 0.00 39.78 37.55 3k43 n ASN 81 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3k43 n GLU 82 N 0.51 1.19 -4.00 -3.83 1.02 -0.97 -4.42 120.64 110.14 3k43 n GLU 82 Ca 0.13 -3.58 -0.32 0.00 -0.02 0.00 0.00 57.16 53.37 3k43 n GLU 82 Cb 0.50 -1.51 -0.06 0.00 -0.02 0.00 0.00 31.44 30.35 3k43 n GLU 82 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3k43 s THR 83 N -1.69 5.01 -0.01 2.62 2.01 -0.18 -0.37 115.64 123.03 3k43 s THR 83 Ca 0.37 -0.45 -0.02 0.00 0.31 0.00 0.00 61.69 61.90 3k43 s THR 83 Cb 0.19 -3.38 -0.00 0.00 0.01 0.00 0.00 72.50 69.32 3k43 s THR 83 CO -0.09 0.22 0.04 -1.10 -0.69 0.00 0.00 174.62 173.00 3k43 s GLN 84 N -2.18 0.16 -0.13 4.92 -0.21 -0.32 -0.11 119.66 121.79 3k43 s GLN 84 Ca 0.29 -0.15 -0.08 0.00 0.02 0.00 0.00 55.36 55.44 3k43 s GLN 84 Cb -0.12 0.06 0.05 0.00 1.00 0.00 0.00 33.01 34.00 3k43 s GLN 84 CO 0.21 -0.03 0.31 -1.50 -2.12 0.00 0.00 175.29 172.17 3k43 s ILE 85 N -0.48 -0.03 0.04 1.08 2.07 -1.26 -0.47 121.20 122.16 3k43 s ILE 85 Ca -0.05 0.09 0.04 0.00 -1.41 0.00 0.00 60.65 59.32 3k43 s ILE 85 Cb -0.03 -0.46 -0.02 0.00 0.13 0.00 0.00 42.46 42.07 3k43 s ILE 85 CO -0.00 0.04 -0.12 -0.36 -1.91 0.00 0.00 174.94 172.59 3k43 s PHE 86 N 1.03 1.01 -0.11 3.50 0.40 -0.30 -4.79 117.98 118.72 3k43 s PHE 86 Ca -0.07 -0.40 0.03 0.00 -0.60 0.00 0.00 56.93 55.89 3k43 s PHE 86 Cb -0.08 -0.59 -0.01 0.00 0.51 0.00 0.00 43.02 42.85 3k43 s PHE 86 CO -0.08 0.01 -0.20 -1.14 0.70 0.00 0.00 175.22 174.51 3k43 s GLN 87 N -1.32 3.11 0.00 0.44 0.74 -1.26 -0.00 119.66 121.36 3k43 s GLN 87 Ca -0.02 -0.80 0.00 0.00 0.05 0.00 0.00 55.36 54.58 3k43 s GLN 87 Cb -0.08 -2.42 0.00 0.00 1.10 0.00 0.00 33.01 31.61 3k43 s GLN 87 CO 0.01 0.23 0.00 0.41 -0.55 0.00 0.00 175.29 175.39 3k43 n GLY 88 N 3.42 3.41 0.17 2.59 0.00 0.16 -5.00 105.19 109.95 3k43 n GLY 88 Ca -0.18 -2.10 -0.14 0.00 0.00 0.00 0.00 46.02 43.60 3k43 n GLY 88 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3k43 h SER 89 N 0.00 -0.32 -0.14 1.61 4.64 -2.00 -3.34 113.55 114.00 3k43 h SER 89 Ca 0.00 0.02 -0.18 0.00 -0.47 0.00 0.00 61.79 61.16 3k43 h SER 89 Cb 0.00 0.10 -0.30 0.00 -0.31 0.00 0.00 62.40 61.88 3k43 h SER 89 CO 0.00 -0.21 -0.90 -0.46 -0.87 0.00 0.00 176.83 174.39 3k43 n ASN 90 N -5.24 1.61 -3.64 4.97 6.94 -1.26 -4.30 115.26 114.33 3k43 n ASN 90 Ca -0.09 -2.61 -0.10 0.00 -0.02 0.00 0.00 54.58 51.76 3k43 n ASN 90 Cb 0.16 -0.39 -0.05 0.00 -2.36 0.00 0.00 39.78 37.15 3k43 n ASN 90 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 3k43 s TRP 91 N -1.76 -0.19 -0.05 -2.53 1.48 -1.20 -0.34 118.94 114.34 3k43 s TRP 91 Ca 0.35 -0.13 0.01 0.00 -1.06 0.00 0.00 56.10 55.28 3k43 s TRP 91 Cb 0.37 0.26 0.02 0.00 -1.16 0.00 0.00 33.47 32.97 3k43 s TRP 91 CO -0.11 -0.71 -0.07 0.42 -4.06 0.00 0.00 176.95 172.42 3k43 s ILE 92 N -3.81 0.72 -0.24 0.66 1.01 0.46 0.36 121.20 120.36 3k43 s ILE 92 Ca 0.03 -0.22 -0.08 0.00 0.00 0.00 0.00 60.65 60.39 3k43 s ILE 92 Cb 0.02 -0.72 -0.03 0.00 0.01 0.00 0.00 42.46 41.74 3k43 s ILE 92 CO -0.11 0.27 0.08 -0.32 0.00 0.00 0.00 174.94 174.86 3k43 s MET 93 N 0.92 3.78 -0.11 2.79 -2.45 1.00 -0.35 119.30 124.87 3k43 s MET 93 Ca -0.11 -0.42 -0.01 0.00 -1.25 0.00 0.00 55.69 53.90 3k43 s MET 93 Cb -0.15 -3.34 -0.03 0.00 1.25 0.00 0.00 34.83 32.57 3k43 s MET 93 CO 0.01 -0.06 -0.07 -1.17 1.05 0.00 0.00 175.02 174.77 3k43 s LEU 94 N 1.30 3.13 -0.04 4.11 2.96 -0.40 -1.16 118.68 128.58 3k43 s LEU 94 Ca 0.05 -0.11 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 3k43 s LEU 94 Cb -0.15 -1.71 0.01 0.00 0.50 0.00 0.00 46.19 44.84 3k43 s LEU 94 CO 0.04 0.26 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.60 3k43 s ILE 95 N -0.17 0.92 -0.16 6.68 1.01 0.38 -0.21 121.20 129.64 3k43 s ILE 95 Ca 0.02 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.29 3k43 s ILE 95 Cb -0.13 -0.84 0.02 0.00 0.01 0.00 0.00 42.46 41.52 3k43 s ILE 95 CO 0.03 0.29 -0.20 -0.31 0.00 0.00 0.00 174.94 174.75 3k43 s TYR 96 N 0.46 2.63 0.54 3.97 4.12 -0.16 -1.17 117.35 127.74 3k43 s TYR 96 Ca -0.09 -1.48 0.07 0.00 0.02 0.00 0.00 57.07 55.60 3k43 s TYR 96 Cb -0.12 -1.82 0.05 0.00 -1.52 0.00 0.00 41.96 38.54 3k43 s TYR 96 CO 0.02 -0.72 0.55 0.15 0.02 0.00 0.00 175.55 175.57 3k43 s LYS 97 N 1.17 2.32 -0.19 -0.62 1.02 0.50 -0.88 119.74 123.07 3k43 s LYS 97 Ca 0.01 -1.80 0.00 0.00 0.02 0.00 0.00 55.97 54.20 3k43 s LYS 97 Cb -0.14 -2.36 0.00 0.00 -0.52 0.00 0.00 37.83 34.81 3k43 s LYS 97 CO -0.09 -0.65 0.00 0.41 -0.92 0.00 0.00 175.35 174.10 3k43 n GLY 98 N -1.92 0.29 3.93 -3.33 0.00 -1.24 -1.66 105.19 101.26 3k43 n GLY 98 Ca 0.06 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 3k43 n GLY 98 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k43 s GLY 99 N -2.90 1.75 0.37 -0.02 0.00 -0.12 -4.53 107.32 101.86 3k43 s GLY 99 Ca 0.00 -1.11 -0.28 0.00 0.00 0.00 0.00 44.72 43.33 3k43 s GLY 99 CO 0.00 -0.38 1.48 0.99 0.00 0.00 0.00 173.10 175.19 3k43 s ASP 100 N -4.84 6.38 0.59 1.64 1.01 0.16 -2.83 116.67 118.78 3k43 s ASP 100 Ca 0.72 3.02 -0.18 0.00 0.71 0.00 0.00 52.55 56.81 3k43 s ASP 100 Cb -0.05 -2.66 -0.04 0.00 1.01 0.00 0.00 42.92 41.18 3k43 s ASP 100 CO 0.52 -0.85 1.17 -1.61 0.21 0.00 0.00 175.17 174.62 3k43 s GLU 101 N -1.95 3.05 0.44 8.23 8.01 -1.26 -1.27 118.70 133.94 3k43 s GLU 101 Ca 0.53 1.71 -0.23 0.00 0.01 0.00 0.00 54.97 57.00 3k43 s GLU 101 Cb -0.46 -1.95 -0.08 0.00 -4.31 0.00 0.00 34.13 27.33 3k43 s GLU 101 CO 0.61 -1.12 1.11 0.71 0.01 0.00 0.00 175.26 176.58 3k43 s TYR 102 N -1.73 3.04 -0.12 1.61 2.02 -0.30 -4.86 117.35 117.00 3k43 s TYR 102 Ca 0.75 1.58 -0.22 0.00 -0.37 0.00 0.00 57.07 58.81 3k43 s TYR 102 Cb -0.27 -3.25 -0.19 0.00 -0.40 0.00 0.00 41.96 37.85 3k43 s TYR 102 CO 0.32 -1.10 0.62 -0.44 -1.57 0.00 0.00 175.55 173.38 3k43 h ASP 103 N 2.17 -0.01 -0.42 2.29 3.32 -1.92 -3.39 116.42 118.46 3k43 h ASP 103 Ca -0.49 -0.70 -0.27 0.00 0.02 0.00 0.00 57.03 55.59 3k43 h ASP 103 Cb 1.23 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.39 3k43 h ASP 103 CO 0.61 0.82 -1.05 -0.46 -1.72 0.00 0.00 179.24 177.44 3k43 n ASN 104 N -4.68 2.03 -3.78 6.45 2.04 -1.26 -4.85 115.26 111.21 3k43 n ASN 104 Ca -0.07 -2.34 -0.10 0.00 -0.44 0.00 0.00 54.58 51.63 3k43 n ASN 104 Cb 0.34 -0.44 -0.06 0.00 -2.53 0.00 0.00 39.78 37.10 3k43 n ASN 104 CO 0.00 0.00 0.00 -1.00 -0.44 0.00 0.00 177.26 175.82 3k43 s HIS 105 N -3.30 0.04 -1.48 -2.53 3.76 -1.26 -4.97 115.29 105.54 3k43 s HIS 105 Ca 0.32 -0.39 -0.13 0.00 -0.15 0.00 0.00 55.06 54.71 3k43 s HIS 105 Cb 0.34 0.15 0.09 0.00 1.11 0.00 0.00 32.58 34.27 3k43 s HIS 105 CO -0.04 -0.72 0.75 0.00 -0.85 0.00 0.00 174.74 173.88 3k43 n GLY 107 N -1.44 0.99 3.86 0.00 0.00 -1.26 -2.50 105.19 104.84 3k43 n GLY 107 Ca 0.02 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 3k43 n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k43 n ARG 108 N -1.45 -5.70 -2.46 1.61 1.74 0.46 -4.97 116.66 105.88 3k43 n ARG 108 Ca -0.09 0.62 -0.26 0.00 -0.77 0.00 0.00 57.85 57.35 3k43 n ARG 108 Cb 0.47 -5.49 0.03 0.00 -1.02 0.00 0.00 32.46 26.45 3k43 n ARG 108 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 3k43 s GLU 109 N -6.51 2.93 0.24 5.56 -1.05 -1.04 -4.20 118.70 114.62 3k43 s GLU 109 Ca 0.57 -0.07 -0.30 0.00 -0.15 0.00 0.00 54.97 55.02 3k43 s GLU 109 Cb -0.28 -2.31 -0.09 0.00 -0.44 0.00 0.00 34.13 31.00 3k43 s GLU 109 CO 0.82 -0.65 1.36 -0.65 0.95 0.00 0.00 175.26 177.08 3k43 s GLN 110 N -4.94 4.34 1.00 -4.83 -0.21 -1.26 -1.15 119.66 112.61 3k43 s GLN 110 Ca 0.53 2.17 -0.11 0.00 0.02 0.00 0.00 55.36 57.97 3k43 s GLN 110 Cb -0.10 -3.14 0.19 0.00 1.00 0.00 0.00 33.01 30.95 3k43 s GLN 110 CO 0.44 -0.30 1.09 1.03 -2.12 0.00 0.00 175.29 175.43 3k43 s ARG 111 N -0.48 0.40 -0.08 2.91 0.52 -0.39 -4.65 118.95 117.18 3k43 s ARG 111 Ca 0.56 1.11 -0.13 0.00 -0.52 0.00 0.00 55.73 56.75 3k43 s ARG 111 Cb -0.39 -1.69 0.03 0.00 0.52 0.00 0.00 34.95 33.42 3k43 s ARG 111 CO 0.42 -2.91 0.33 0.50 0.02 0.00 0.00 175.30 173.66 3k43 s ARG 112 N -4.66 0.51 -0.10 3.54 3.52 -0.74 -0.95 118.95 120.08 3k43 s ARG 112 Ca 0.66 0.20 0.02 0.00 -0.13 0.00 0.00 55.73 56.49 3k43 s ARG 112 Cb -0.22 0.24 -0.01 0.00 -1.56 0.00 0.00 34.95 33.39 3k43 s ARG 112 CO 0.60 -0.10 -0.17 0.00 -0.81 0.00 0.00 175.30 174.82 3k43 s ALA 113 N -0.44 2.50 -0.15 6.12 0.00 -0.06 -2.82 121.76 126.91 3k43 s ALA 113 Ca -0.06 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 50.97 3k43 s ALA 113 Cb -0.04 -1.03 0.02 0.00 0.00 0.00 0.00 23.12 22.08 3k43 s ALA 113 CO 0.02 0.34 -0.14 0.08 0.00 0.00 0.00 175.76 176.06 3k43 s VAL 114 N 0.08 1.56 -0.25 0.00 1.01 -0.26 -0.99 120.40 121.54 3k43 s VAL 114 Ca -0.07 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 3k43 s VAL 114 Cb -0.15 -1.48 0.03 0.00 0.00 0.00 0.00 36.38 34.78 3k43 s VAL 114 CO 0.05 0.43 -0.07 -0.69 0.00 0.00 0.00 175.10 174.83 3k43 s VAL 115 N 1.49 2.80 -0.52 2.92 1.01 0.70 -0.14 120.40 128.66 3k43 s VAL 115 Ca 0.04 -1.09 -0.23 0.00 0.00 0.00 0.00 61.98 60.71 3k43 s VAL 115 Cb -0.13 -2.44 0.04 0.00 0.00 0.00 0.00 36.38 33.85 3k43 s VAL 115 CO -0.10 0.18 0.85 -0.04 0.00 0.00 0.00 175.10 175.98 3k43 s MET 116 N 1.30 3.31 -0.37 2.72 -1.94 0.84 -1.28 119.30 123.88 3k43 s MET 116 Ca -0.01 -0.35 -0.17 0.00 -1.71 0.00 0.00 55.69 53.45 3k43 s MET 116 Cb -0.17 -4.04 0.00 0.00 2.01 0.00 0.00 34.83 32.63 3k43 s MET 116 CO -0.05 -1.35 0.47 0.42 -0.01 0.00 0.00 175.02 174.50 3k43 s ILE 117 N 3.54 5.05 0.08 2.53 1.01 0.52 -1.92 121.20 132.02 3k43 s ILE 117 Ca 0.27 0.14 -0.13 0.00 0.00 0.00 0.00 60.65 60.93 3k43 s ILE 117 Cb -0.14 -3.96 -0.06 0.00 0.01 0.00 0.00 42.46 38.31 3k43 s ILE 117 CO 0.19 -0.25 0.45 -0.44 0.00 0.00 0.00 174.94 174.89 3k43 s SER 118 N 1.78 6.75 0.18 3.58 0.01 0.16 -0.41 113.70 125.75 3k43 s SER 118 Ca 0.16 0.93 -0.32 0.00 1.31 0.00 0.00 55.95 58.04 3k43 s SER 118 Cb -0.16 -2.23 -0.11 0.00 0.21 0.00 0.00 66.02 63.73 3k43 s SER 118 CO 0.13 0.19 1.60 0.00 0.41 0.00 0.00 173.24 175.58 3k43 s ASN 120 N 1.13 1.87 0.00 0.00 3.84 -1.10 -4.77 114.94 115.91 3k43 s ASN 120 Ca 0.71 -0.65 0.15 0.00 0.21 0.00 0.00 52.86 53.27 3k43 s ASN 120 Cb -0.45 0.33 0.86 0.00 -0.55 0.00 0.00 41.25 41.44 3k43 s ASN 120 CO 0.32 -0.38 1.31 0.54 -2.79 0.00 0.00 177.10 176.10 3k43 n ARG 121 N 5.30 0.43 -0.22 0.43 1.74 -1.26 -2.10 116.66 120.98 3k43 n ARG 121 Ca -0.04 0.02 0.06 0.00 -0.77 0.00 0.00 57.85 57.12 3k43 n ARG 121 Cb 0.47 -1.50 0.17 0.00 -1.02 0.00 0.00 32.46 30.57 3k43 n ARG 121 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3k43 n HIS 122 N -1.04 0.54 -3.63 -1.55 8.25 -1.26 -4.95 115.22 111.58 3k43 n HIS 122 Ca 0.11 -0.58 -0.13 0.00 -0.26 0.00 0.00 57.72 56.86 3k43 n HIS 122 Cb 0.06 -0.09 -0.07 0.00 1.12 0.00 0.00 29.99 31.01 3k43 n HIS 122 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3k43 s THR 123 N -1.37 0.00 0.20 1.59 -1.32 -1.12 -5.03 115.64 108.59 3k43 s THR 123 Ca 0.26 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.78 3k43 s THR 123 Cb 0.16 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 70.05 3k43 s THR 123 CO 0.14 0.00 1.47 0.25 -2.21 0.00 0.00 174.62 174.27 3k43 h LEU 124 N 5.18 0.25 -7.00 9.08 7.12 -1.88 0.34 115.31 128.40 3k43 h LEU 124 Ca -0.29 -0.17 0.10 0.00 0.13 0.00 0.00 57.88 57.65 3k43 h LEU 124 Cb 1.17 -0.07 -0.26 0.00 -0.53 0.00 0.00 40.66 40.96 3k43 h LEU 124 CO 0.06 0.90 0.36 0.00 -0.13 0.00 0.00 178.44 179.63 3k43 s ALA 125 N -3.47 -2.21 0.00 1.25 0.00 -1.26 -4.15 121.76 111.92 3k43 s ALA 125 Ca -0.03 2.19 0.00 0.00 0.00 0.00 0.00 51.96 54.12 3k43 s ALA 125 Cb 0.11 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.57 3k43 s ALA 125 CO 0.81 -0.34 0.00 -3.47 0.00 0.00 0.00 175.76 172.76 3k43 n ASP 126 N 3.61 0.00 -3.57 0.00 2.03 -0.77 -5.00 116.55 112.85 3k43 n ASP 126 Ca -0.18 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 54.91 3k43 n ASP 126 Cb 0.58 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 41.05 3k43 n ASP 126 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3k43 n ASN 127 N 0.00 -4.13 -4.73 1.67 3.02 -1.26 0.28 115.26 110.11 3k43 n ASN 127 Ca 0.00 -0.62 -0.41 0.00 -0.03 0.00 0.00 54.58 53.53 3k43 n ASN 127 Cb 0.00 -4.89 -0.05 0.00 -0.61 0.00 0.00 39.78 34.24 3k43 n ASN 127 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3k43 s PHE 128 N -3.36 3.78 -0.13 3.10 2.19 -1.26 -3.95 117.98 118.34 3k43 s PHE 128 Ca 0.32 1.67 -0.30 0.00 0.33 0.00 0.00 56.93 58.95 3k43 s PHE 128 Cb -0.14 -2.97 0.13 0.00 -1.31 0.00 0.00 43.02 38.72 3k43 s PHE 128 CO 0.75 0.23 1.01 0.54 1.83 0.00 0.00 175.22 179.57 3k43 s ASN 129 N 0.01 -0.33 0.45 6.13 4.22 -0.49 -4.65 114.94 120.27 3k43 s ASN 129 Ca 0.44 0.25 -0.22 0.00 -2.14 0.00 0.00 52.86 51.19 3k43 s ASN 129 Cb -0.22 0.30 -0.08 0.00 1.28 0.00 0.00 41.25 42.52 3k43 s ASN 129 CO 0.27 -0.38 1.09 -2.16 -2.04 0.00 0.00 177.10 173.87 3k43 s PRO 130 N -1.70 3.91 -0.14 3.55 0.04 -1.26 -1.55 135.00 137.84 3k43 s PRO 130 Ca 0.01 1.56 -0.11 0.00 0.04 0.00 0.00 61.00 62.50 3k43 s PRO 130 Cb -0.01 -2.36 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 3k43 s PRO 130 CO -0.02 -0.38 -0.22 0.28 0.04 0.00 0.00 177.00 176.71 3k43 n VAL 131 N -0.48 1.28 -3.70 -0.36 0.31 0.21 -4.87 118.33 110.72 3k43 n VAL 131 Ca 0.07 0.22 -0.17 0.00 -0.01 0.00 0.00 64.34 64.45 3k43 n VAL 131 Cb 0.50 -2.27 -0.16 0.00 -0.91 0.00 0.00 33.84 30.99 3k43 n VAL 131 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3k43 s SER 132 N -5.55 0.63 -0.26 4.52 1.04 -1.19 -5.04 113.70 107.85 3k43 s SER 132 Ca -0.18 0.19 -0.05 0.00 0.48 0.00 0.00 55.95 56.39 3k43 s SER 132 Cb 0.02 0.06 0.01 0.00 0.10 0.00 0.00 66.02 66.21 3k43 s SER 132 CO 0.27 -0.21 0.02 -1.61 0.98 0.00 0.00 173.24 172.68 3k43 s GLU 133 N 1.87 3.13 0.00 4.02 8.01 -1.26 -2.82 118.70 131.65 3k43 s GLU 133 Ca -0.00 -0.81 0.00 0.00 0.01 0.00 0.00 54.97 54.17 3k43 s GLU 133 Cb -0.12 -3.19 0.00 0.00 -4.31 0.00 0.00 34.13 26.51 3k43 s GLU 133 CO -0.04 -0.36 0.00 0.00 0.01 0.00 0.00 175.26 174.87 3k43 s PHE 142 N 0.00 -1.29 -0.36 0.00 5.99 -1.26 -4.81 117.98 116.25 3k43 s PHE 142 Ca 0.00 1.83 -0.06 0.00 0.00 0.00 0.00 56.93 58.70 3k43 s PHE 142 Cb 0.00 0.56 0.06 0.00 0.00 0.00 0.00 43.02 43.64 3k43 s PHE 142 CO 0.00 -0.72 0.14 0.71 -0.00 0.00 0.00 175.22 175.36 3k43 s TYR 143 N 2.80 3.33 -0.19 10.12 1.51 -1.13 -4.97 117.35 128.82 3k43 s TYR 143 Ca 0.06 -1.68 -0.09 0.00 -1.01 0.00 0.00 57.07 54.36 3k43 s TYR 143 Cb -0.13 -2.57 -0.04 0.00 -0.11 0.00 0.00 41.96 39.10 3k43 s TYR 143 CO -0.18 -0.81 0.09 -1.17 -1.11 0.00 0.00 175.55 172.37 3k43 s LEU 144 N 1.34 3.99 0.25 -1.29 2.96 -1.13 -1.11 118.68 123.70 3k43 s LEU 144 Ca 0.00 0.14 0.03 0.00 -0.22 0.00 0.00 54.13 54.08 3k43 s LEU 144 Cb -0.21 -2.02 -0.05 0.00 0.50 0.00 0.00 46.19 44.41 3k43 s LEU 144 CO 0.01 0.17 0.04 -0.36 -1.32 0.00 0.00 176.35 174.89 3k43 s PHE 145 N 0.39 1.61 0.11 5.38 0.40 0.81 0.68 117.98 127.35 3k43 s PHE 145 Ca 0.05 -1.02 -0.09 0.00 -0.60 0.00 0.00 56.93 55.28 3k43 s PHE 145 Cb -0.12 -0.96 -0.00 0.00 0.51 0.00 0.00 43.02 42.45 3k43 s PHE 145 CO -0.01 -0.14 0.22 -1.83 0.70 0.00 0.00 175.22 174.17 3k43 s GLU 146 N -3.93 0.95 0.06 0.44 -1.05 -0.59 -0.11 118.70 114.46 3k43 s GLU 146 Ca 0.33 -1.03 -0.27 0.00 -0.15 0.00 0.00 54.97 53.85 3k43 s GLU 146 Cb 0.07 0.35 0.09 0.00 -0.44 0.00 0.00 34.13 34.20 3k43 s GLU 146 CO 0.11 -0.32 0.93 0.00 0.95 0.00 0.00 175.26 176.93 3k43 s MET 147 N -3.90 0.97 0.04 -4.83 0.23 -0.81 -1.39 119.30 109.61 3k43 s MET 147 Ca 0.09 -0.45 0.03 0.00 -1.03 0.00 0.00 55.69 54.33 3k43 s MET 147 Cb 0.04 0.38 -0.04 0.00 -1.53 0.00 0.00 34.83 33.69 3k43 s MET 147 CO -0.07 -0.43 0.00 -0.51 -2.03 0.00 0.00 175.02 171.98 3k43 s ASP 148 N -2.69 5.10 -0.29 -1.18 1.01 0.14 -0.67 116.67 118.10 3k43 s ASP 148 Ca 0.08 -0.08 -0.19 0.00 0.71 0.00 0.00 52.55 53.07 3k43 s ASP 148 Cb -0.01 -1.29 0.13 0.00 1.01 0.00 0.00 42.92 42.77 3k43 s ASP 148 CO -0.04 0.23 0.96 -0.55 0.21 0.00 0.00 175.17 175.98 3k43 s SER 149 N -1.92 -0.53 0.27 0.27 0.15 0.20 -1.85 113.70 110.29 3k43 s SER 149 Ca 0.23 0.90 0.23 0.00 0.70 0.00 0.00 55.95 58.01 3k43 s SER 149 Cb -0.12 1.12 1.02 0.00 -1.71 0.00 0.00 66.02 66.34 3k43 s SER 149 CO 0.14 -0.15 1.71 -1.54 1.20 0.00 0.00 173.24 174.60 3k43 n SER 150 N 3.29 0.66 0.24 5.45 3.41 0.11 -1.64 113.62 125.14 3k43 n SER 150 Ca -0.17 0.68 0.11 0.00 -0.26 0.00 0.00 58.87 59.24 3k43 n SER 150 Cb 0.57 -0.82 0.62 0.00 -0.26 0.00 0.00 64.21 64.32 3k43 n SER 150 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3k43 h LEU 151 N 0.00 0.00 -1.22 1.04 3.38 -1.83 -1.09 115.31 115.58 3k43 h LEU 151 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3k43 h LEU 151 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3k43 h LEU 151 CO 0.00 0.17 0.00 0.00 0.09 0.00 0.00 178.44 178.70 3k43 n ALA 152 N -2.27 2.49 -2.54 1.53 0.00 -0.65 -4.88 120.51 114.19 3k43 n ALA 152 Ca -0.01 -0.58 -0.33 0.00 0.00 0.00 0.00 53.44 52.52 3k43 n ALA 152 Cb 0.31 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.67 3k43 n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50