#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k43 s ASP 7 N -0.90 4.19 0.51 0.00 -0.00 0.44 -4.98 116.67 115.93 3k43 s ASP 7 Ca 0.59 -1.04 -0.21 0.00 -0.00 0.00 0.00 52.55 51.90 3k43 s ASP 7 Cb -0.36 -1.60 -0.06 0.00 -0.00 0.00 0.00 42.92 40.90 3k43 s ASP 7 CO 0.45 -0.14 1.15 -0.76 -0.00 0.00 0.00 175.17 175.88 3k43 s LEU 8 N 1.24 3.86 -0.36 1.23 1.43 -1.26 0.07 118.68 124.89 3k43 s LEU 8 Ca -0.02 2.26 0.02 0.00 -1.03 0.00 0.00 54.13 55.35 3k43 s LEU 8 Cb -0.17 -4.43 0.44 0.00 0.03 0.00 0.00 46.19 42.05 3k43 s LEU 8 CO -0.06 -1.12 1.74 0.52 0.23 0.00 0.00 176.35 177.66 3k43 n VAL 9 N -0.97 2.71 0.00 -1.59 0.31 -0.01 -4.75 118.33 114.02 3k43 n VAL 9 Ca 0.10 -1.57 0.00 0.00 -0.01 0.00 0.00 64.34 62.86 3k43 n VAL 9 Cb 0.50 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 3k43 n VAL 9 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3k43 n GLY 10 N -0.56 0.74 0.00 2.92 0.00 -1.26 -5.07 105.19 101.96 3k43 n GLY 10 Ca 0.43 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.35 3k43 n GLY 10 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3k43 n SER 16 N 0.00 0.00 0.09 1.61 2.88 -1.26 -5.23 113.62 111.71 3k43 n SER 16 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 3k43 n SER 16 Cb 0.00 0.00 0.45 0.00 -0.75 0.00 0.00 64.21 63.91 3k43 n SER 16 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3k43 h GLU 17 N 0.00 0.33 0.36 -1.46 4.39 -2.04 -2.44 114.58 113.72 3k43 h GLU 17 Ca 0.00 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 3k43 h GLU 17 Cb 0.00 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 3k43 h GLU 17 CO 0.00 0.31 -0.18 -0.22 -1.16 0.00 0.00 179.01 177.76 3k43 h LYS 18 N 0.33 -0.47 -0.03 2.33 3.64 -2.00 -1.37 116.57 119.01 3k43 h LYS 18 Ca 0.08 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 3k43 h LYS 18 Cb 0.12 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 3k43 h LYS 18 CO -0.01 -0.30 -0.27 1.96 -2.27 0.00 0.00 179.45 178.57 3k43 h GLN 19 N -0.52 0.05 -0.52 1.90 4.20 -1.79 -1.85 115.11 116.58 3k43 h GLN 19 Ca -0.05 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.57 3k43 h GLN 19 Cb 0.39 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 3k43 h GLN 19 CO 0.08 0.32 0.05 -0.07 -0.67 0.00 0.00 178.83 178.54 3k43 h LEU 20 N 0.05 0.86 -0.62 1.46 3.38 -1.14 0.47 115.31 119.76 3k43 h LEU 20 Ca 0.01 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.60 3k43 h LEU 20 Cb 0.51 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3k43 h LEU 20 CO 0.04 0.92 0.03 0.00 0.09 0.00 0.00 178.44 179.52 3k43 h ALA 21 N 0.96 0.84 -0.73 1.53 0.00 -0.93 -2.65 119.26 118.28 3k43 h ALA 21 Ca 0.15 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3k43 h ALA 21 Cb 0.46 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3k43 h ALA 21 CO 0.02 0.66 0.45 -0.07 0.00 0.00 0.00 179.25 180.31 3k43 h LEU 22 N 0.99 0.87 -0.59 0.00 3.38 -0.93 0.19 115.31 119.22 3k43 h LEU 22 Ca 0.18 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3k43 h LEU 22 Cb 0.53 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3k43 h LEU 22 CO 0.03 0.66 0.25 -0.07 0.09 0.00 0.00 178.44 179.40 3k43 h LEU 23 N 1.01 0.79 -0.80 1.67 4.07 -0.59 -2.64 115.31 118.82 3k43 h LEU 23 Ca 0.27 -0.15 -0.12 0.00 0.08 0.00 0.00 57.88 57.95 3k43 h LEU 23 Cb -0.05 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.47 3k43 h LEU 23 CO -0.05 0.73 -0.40 0.11 -1.08 0.00 0.00 178.44 177.75 3k43 h LYS 24 N 0.81 0.42 0.00 1.13 1.57 -1.06 -2.29 116.57 117.14 3k43 h LYS 24 Ca 0.20 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3k43 h LYS 24 Cb 0.17 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 3k43 h LYS 24 CO -0.02 0.76 -0.01 -0.09 -0.57 0.00 0.00 179.45 179.52 3k43 h ARG 25 N 0.35 0.00 -0.02 3.15 2.43 -0.67 -2.25 114.38 117.38 3k43 h ARG 25 Ca 0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3k43 h ARG 25 Cb 0.86 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 3k43 h ARG 25 CO 0.07 0.01 -0.32 1.28 -1.51 0.00 0.00 179.97 179.50 3k43 n LEU 26 N -3.13 2.16 -0.34 3.80 4.32 -0.88 -4.54 117.00 118.39 3k43 n LEU 26 Ca -0.02 -0.76 0.20 0.00 -0.02 0.00 0.00 56.01 55.41 3k43 n LEU 26 Cb 0.16 -0.01 0.44 0.00 -1.62 0.00 0.00 43.42 42.39 3k43 n LEU 26 CO 0.23 0.39 1.19 0.74 -1.22 0.00 0.00 177.39 178.72 3k43 h THR 27 N 2.89 0.52 0.00 -5.08 2.02 -1.27 -0.43 112.91 111.57 3k43 h THR 27 Ca 0.00 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.01 3k43 h THR 27 Cb 0.79 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 3k43 h THR 27 CO 0.00 0.09 0.24 -0.65 0.37 0.00 0.00 175.52 175.57 3k43 h PRO 28 N 0.49 0.00 0.00 6.66 0.11 -1.82 -1.12 132.00 136.32 3k43 h PRO 28 Ca 0.63 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.74 3k43 h PRO 28 Cb 1.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 3k43 h PRO 28 CO -0.40 0.00 -1.23 1.28 -0.21 0.00 0.00 178.00 177.44 3k43 n LEU 29 N -2.90 0.59 -0.30 2.35 4.77 -0.17 -4.64 117.00 116.70 3k43 n LEU 29 Ca -0.02 -0.16 0.12 0.00 -0.03 0.00 0.00 56.01 55.92 3k43 n LEU 29 Cb 0.29 -0.05 0.26 0.00 -2.33 0.00 0.00 43.42 41.59 3k43 n LEU 29 CO 0.15 0.10 0.88 -0.26 -1.33 0.00 0.00 177.39 176.92 3k43 h PHE 30 N 0.00 0.15 -0.26 -1.77 -1.00 -1.25 -1.42 116.94 111.39 3k43 h PHE 30 Ca 0.00 0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.84 3k43 h PHE 30 Cb 0.72 0.07 0.00 0.00 3.61 0.00 0.00 35.95 40.35 3k43 h PHE 30 CO 0.00 -0.28 0.00 1.04 -1.61 0.00 0.00 178.31 177.46 3k43 n GLN 31 N -5.33 1.79 -3.06 1.51 1.13 -1.26 -4.49 117.38 107.67 3k43 n GLN 31 Ca 0.20 -1.21 -0.25 0.00 -1.94 0.00 0.00 57.00 53.80 3k43 n GLN 31 Cb 0.66 -1.35 -0.00 0.00 0.11 0.00 0.00 30.24 29.66 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 -1.67 3.40 -0.02 -1.09 1.02 -0.54 -5.10 119.74 115.75 3k43 s LYS 32 Ca 0.29 -0.20 0.02 0.00 0.02 0.00 0.00 55.97 56.10 3k43 s LYS 32 Cb 0.16 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.92 3k43 s LYS 32 CO 0.22 -0.06 -0.08 0.45 -0.92 0.00 0.00 175.35 174.97 3k43 s SER 33 N -4.10 1.04 -0.03 2.83 0.15 -1.26 -4.57 113.70 107.76 3k43 s SER 33 Ca 0.44 -0.16 0.05 0.00 0.70 0.00 0.00 55.95 56.99 3k43 s SER 33 Cb -0.10 -0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 63.95 3k43 s SER 33 CO 0.39 0.06 -0.18 -0.36 1.20 0.00 0.00 173.24 174.35 3k43 s PHE 34 N 0.12 2.57 0.01 3.44 0.40 0.35 -4.99 117.98 119.88 3k43 s PHE 34 Ca -0.02 -0.26 -0.04 0.00 -0.60 0.00 0.00 56.93 56.02 3k43 s PHE 34 Cb -0.07 -1.57 -0.01 0.00 0.51 0.00 0.00 43.02 41.89 3k43 s PHE 34 CO 0.00 0.13 0.06 -2.00 0.70 0.00 0.00 175.22 174.11 3k43 s GLU 35 N -0.80 0.40 -0.24 0.44 -6.30 -1.26 0.07 118.70 111.01 3k43 s GLU 35 Ca 0.11 -0.50 -0.14 0.00 -2.50 0.00 0.00 54.97 51.95 3k43 s GLU 35 Cb -0.10 0.16 0.07 0.00 0.00 0.00 0.00 34.13 34.26 3k43 s GLU 35 CO 0.01 -0.08 0.60 0.45 0.02 0.00 0.00 175.26 176.25 3k43 s SER 36 N -1.41 -0.80 -0.13 -1.70 0.15 -0.62 -4.88 113.70 104.31 3k43 s SER 36 Ca -0.15 1.31 -0.03 0.00 0.70 0.00 0.00 55.95 57.78 3k43 s SER 36 Cb -0.09 1.19 -0.03 0.00 -1.71 0.00 0.00 66.02 65.38 3k43 s SER 36 CO 0.00 -0.22 -0.03 -0.89 1.20 0.00 0.00 173.24 173.30 3k43 s THR 37 N 1.52 3.96 0.16 6.45 2.01 -1.26 -0.14 115.64 128.34 3k43 s THR 37 Ca -0.10 -0.35 0.06 0.00 0.31 0.00 0.00 61.69 61.61 3k43 s THR 37 Cb -0.06 -2.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.70 3k43 s THR 37 CO -0.17 0.53 -0.12 0.68 -0.69 0.00 0.00 174.62 174.85 3k43 s VAL 38 N -0.07 1.37 0.00 3.82 -7.23 0.28 -4.97 120.40 113.60 3k43 s VAL 38 Ca 0.02 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 3k43 s VAL 38 Cb -0.13 -1.81 0.00 0.00 0.56 0.00 0.00 36.38 35.00 3k43 s VAL 38 CO 0.02 -0.61 0.00 0.61 -0.31 0.00 0.00 175.10 174.82 3k43 n GLY 39 N -0.03 -2.26 3.57 2.32 0.00 -1.26 -1.58 105.19 105.95 3k43 n GLY 39 Ca -0.11 -1.46 -0.25 0.00 0.00 0.00 0.00 46.02 44.20 3k43 n GLY 39 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3k43 s GLN 40 N -3.18 1.94 0.12 1.61 0.00 -1.26 -4.65 119.66 114.25 3k43 s GLN 40 Ca 0.00 -1.77 -0.25 0.00 -0.00 0.00 0.00 55.36 53.34 3k43 s GLN 40 Cb 0.00 -1.86 -0.14 0.00 0.00 0.00 0.00 33.01 31.01 3k43 s GLN 40 CO 0.00 0.20 0.53 0.43 0.00 0.00 0.00 175.29 176.46 3k43 n SER 41 N -0.83 -0.77 -0.06 12.60 7.64 -1.26 -3.64 113.62 127.31 3k43 n SER 41 Ca -0.05 0.92 -0.18 0.00 1.01 0.00 0.00 58.87 60.57 3k43 n SER 41 Cb 0.62 -0.77 -0.13 0.00 -1.01 0.00 0.00 64.21 62.92 3k43 n SER 41 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3k43 h PRO 42 N 1.21 0.07 -4.54 1.43 0.13 -2.03 -3.47 132.00 124.80 3k43 h PRO 42 Ca -0.27 -0.12 -0.40 0.00 -0.87 0.00 0.00 66.00 64.34 3k43 h PRO 42 Cb 1.17 0.04 0.08 0.00 0.13 0.00 0.00 31.00 32.43 3k43 h PRO 42 CO 0.48 1.06 1.43 -0.40 -0.23 0.00 0.00 178.00 180.33 3k43 n ASP 43 N -4.38 1.08 -4.91 1.44 3.85 -1.24 -4.49 116.55 107.90 3k43 n ASP 43 Ca -0.20 -2.35 -0.31 0.00 -0.71 0.00 0.00 54.79 51.21 3k43 n ASP 43 Cb 0.65 -0.60 -0.04 0.00 -1.35 0.00 0.00 41.12 39.78 3k43 n ASP 43 CO 0.00 0.00 0.00 -0.04 -1.01 0.00 0.00 177.20 176.15 3k43 s MET 44 N 5.95 3.47 0.00 0.11 -1.94 -1.26 -4.45 119.30 121.19 3k43 s MET 44 Ca 0.44 -0.36 0.04 0.00 -1.71 0.00 0.00 55.69 54.10 3k43 s MET 44 Cb 0.10 -3.01 -0.01 0.00 2.01 0.00 0.00 34.83 33.92 3k43 s MET 44 CO 0.19 0.59 -0.12 0.71 -0.01 0.00 0.00 175.02 176.39 3k43 s TYR 45 N -1.52 1.05 -0.14 -0.03 1.51 -0.61 -1.42 117.35 116.19 3k43 s TYR 45 Ca 0.35 -0.24 -0.02 0.00 -1.01 0.00 0.00 57.07 56.16 3k43 s TYR 45 Cb -0.13 -0.66 -0.02 0.00 -0.11 0.00 0.00 41.96 41.04 3k43 s TYR 45 CO 0.27 -0.01 -0.06 0.45 -1.11 0.00 0.00 175.55 175.08 3k43 s SER 46 N -0.50 4.58 -0.19 2.29 0.15 -0.49 -0.56 113.70 118.99 3k43 s SER 46 Ca 0.03 -0.16 -0.02 0.00 0.70 0.00 0.00 55.95 56.49 3k43 s SER 46 Cb -0.05 -1.66 -0.01 0.00 -1.71 0.00 0.00 66.02 62.59 3k43 s SER 46 CO -0.00 0.19 -0.08 -0.31 1.20 0.00 0.00 173.24 174.25 3k43 s TYR 47 N 0.20 2.91 -0.18 3.44 1.51 0.81 -0.32 117.35 125.72 3k43 s TYR 47 Ca -0.04 -0.84 -0.03 0.00 -1.01 0.00 0.00 57.07 55.15 3k43 s TYR 47 Cb -0.14 -2.01 -0.02 0.00 -0.11 0.00 0.00 41.96 39.68 3k43 s TYR 47 CO 0.03 -0.42 -0.05 0.08 -1.11 0.00 0.00 175.55 174.08 3k43 s VAL 48 N 1.05 3.55 -0.04 0.71 1.01 -0.30 -1.59 120.40 124.79 3k43 s VAL 48 Ca 0.00 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 61.58 3k43 s VAL 48 Cb -0.15 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 3k43 s VAL 48 CO -0.01 0.46 -0.20 0.12 0.00 0.00 0.00 175.10 175.47 3k43 s PHE 49 N 0.85 1.96 0.04 5.22 5.36 0.11 -1.18 117.98 130.34 3k43 s PHE 49 Ca -0.01 -0.53 0.01 0.00 -0.96 0.00 0.00 56.93 55.44 3k43 s PHE 49 Cb -0.15 -1.30 -0.03 0.00 -0.34 0.00 0.00 43.02 41.21 3k43 s PHE 49 CO 0.01 -0.15 -0.05 1.03 -1.46 0.00 0.00 175.22 174.60 3k43 s ARG 50 N -0.15 0.51 -0.45 10.12 0.52 -0.61 -0.49 118.95 128.39 3k43 s ARG 50 Ca -0.01 -0.85 -0.17 0.00 -0.52 0.00 0.00 55.73 54.18 3k43 s ARG 50 Cb -0.11 -0.09 0.04 0.00 0.52 0.00 0.00 34.95 35.31 3k43 s ARG 50 CO 0.02 -0.01 0.46 0.08 0.02 0.00 0.00 175.30 175.87 3k43 s VAL 51 N -2.06 5.09 -1.97 3.52 1.01 -1.26 -4.41 120.40 120.32 3k43 s VAL 51 Ca -0.07 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.32 3k43 s VAL 51 Cb -0.05 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.21 3k43 s VAL 51 CO -0.02 -0.55 0.00 0.00 0.00 0.00 0.00 175.10 174.53 3k43 s ARG 53 N -4.34 0.54 0.02 0.00 1.81 -1.26 -4.14 118.95 111.58 3k43 s ARG 53 Ca 0.00 -0.89 -0.33 0.00 -1.72 0.00 0.00 55.73 52.79 3k43 s ARG 53 Cb 0.00 0.20 -0.11 0.00 -0.45 0.00 0.00 34.95 34.58 3k43 s ARG 53 CO 0.00 -0.11 1.84 -1.91 -0.68 0.00 0.00 175.30 174.44 3k43 n GLU 54 N 0.71 2.45 -0.01 3.54 4.07 -1.26 -4.58 120.64 125.56 3k43 n GLU 54 Ca -0.18 0.90 0.08 0.00 -0.06 0.00 0.00 57.16 57.90 3k43 n GLU 54 Cb 0.59 -2.76 -0.14 0.00 -0.06 0.00 0.00 31.44 29.07 3k43 n GLU 54 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3k43 n ALA 55 N 6.08 2.61 -2.58 4.31 0.00 0.17 -4.92 120.51 126.17 3k43 n ALA 55 Ca 0.20 -0.44 -0.24 0.00 0.00 0.00 0.00 53.44 52.96 3k43 n ALA 55 Cb 0.33 -0.58 -0.01 0.00 0.00 0.00 0.00 19.45 19.20 3k43 n ALA 55 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3k43 s GLY 56 N -4.04 1.38 -0.15 0.00 0.00 -1.25 -4.77 107.32 98.49 3k43 s GLY 56 Ca -0.06 -0.87 0.18 0.00 0.00 0.00 0.00 44.72 43.97 3k43 s GLY 56 CO 0.72 -0.78 0.23 -1.06 0.00 0.00 0.00 173.10 172.21 3k43 n GLN 57 N -1.88 0.68 0.00 2.90 1.13 -1.26 -4.48 117.38 114.47 3k43 n GLN 57 Ca -0.04 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 3k43 n GLN 57 Cb 0.56 -1.57 0.00 0.00 0.11 0.00 0.00 30.24 29.35 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 -2.73 0.00 -3.68 1.08 8.25 -1.26 -4.97 115.22 111.90 3k43 n HIS 58 Ca -0.26 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 56.81 3k43 n HIS 58 Cb 1.06 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 32.06 3k43 n HIS 58 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3k43 s SER 59 N -0.40 5.45 -0.22 0.41 0.01 -1.26 -5.08 113.70 112.60 3k43 s SER 59 Ca 0.00 -1.65 -0.28 0.00 1.31 0.00 0.00 55.95 55.33 3k43 s SER 59 Cb 0.00 -1.91 0.00 0.00 0.21 0.00 0.00 66.02 64.32 3k43 s SER 59 CO 0.00 -0.52 0.99 -0.55 0.41 0.00 0.00 173.24 173.57 3k43 s SER 60 N 1.98 7.05 0.00 2.44 0.15 -1.26 -3.57 113.70 120.49 3k43 s SER 60 Ca 0.04 1.32 0.00 0.00 0.70 0.00 0.00 55.95 58.00 3k43 s SER 60 Cb -0.23 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 3k43 s SER 60 CO -0.00 -0.61 0.00 0.61 1.20 0.00 0.00 173.24 174.44 3k43 n GLY 61 N 3.39 0.74 3.73 9.45 0.00 -1.26 -5.06 105.19 116.18 3k43 n GLY 61 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.22 3.31 -0.13 4.61 0.00 -1.23 -2.99 121.76 123.11 3k43 s ALA 62 Ca 0.00 0.72 0.19 0.00 0.00 0.00 0.00 51.96 52.87 3k43 s ALA 62 Cb 0.00 -3.35 -0.25 0.00 0.00 0.00 0.00 23.12 19.51 3k43 s ALA 62 CO 0.00 -0.22 0.33 0.41 0.00 0.00 0.00 175.76 176.29 3k43 n GLY 63 N 2.49 -1.03 3.11 0.00 0.00 0.21 -0.66 105.19 109.30 3k43 n GLY 63 Ca 0.04 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 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 -5.30 -0.03 0.17 0.99 0.20 -1.09 -1.58 118.68 112.03 3k43 s LEU 64 Ca -0.08 0.67 0.09 0.00 0.69 0.00 0.00 54.13 55.50 3k43 s LEU 64 Cb 0.09 0.92 -0.04 0.00 -0.43 0.00 0.00 46.19 46.72 3k43 s LEU 64 CO 0.85 -0.20 -0.19 0.68 -0.29 0.00 0.00 176.35 177.19 3k43 s VAL 65 N 1.80 1.91 -0.16 1.68 -7.23 -0.32 -1.33 120.40 116.75 3k43 s VAL 65 Ca -0.05 -1.91 -0.03 0.00 -1.81 0.00 0.00 61.98 58.18 3k43 s VAL 65 Cb -0.11 -1.87 -0.02 0.00 0.56 0.00 0.00 36.38 34.94 3k43 s VAL 65 CO -0.10 -0.26 -0.06 -1.58 -0.31 0.00 0.00 175.10 172.78 3k43 s GLN 66 N -2.71 3.56 -0.23 4.82 0.74 0.13 -1.16 119.66 124.81 3k43 s GLN 66 Ca 0.16 -0.58 -0.00 0.00 0.05 0.00 0.00 55.36 54.99 3k43 s GLN 66 Cb -0.06 -2.84 0.03 0.00 1.10 0.00 0.00 33.01 31.23 3k43 s GLN 66 CO 0.07 0.18 -0.11 0.42 -0.55 0.00 0.00 175.29 175.31 3k43 s ILE 67 N 0.48 2.58 -0.12 -2.34 1.01 0.56 -0.32 121.20 123.06 3k43 s ILE 67 Ca -0.05 -1.06 -0.29 0.00 0.00 0.00 0.00 60.65 59.25 3k43 s ILE 67 Cb -0.15 -2.27 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 3k43 s ILE 67 CO 0.03 0.28 1.44 -1.58 0.00 0.00 0.00 174.94 175.10 3k43 s GLN 68 N 1.29 4.21 0.40 2.79 0.74 -0.07 -1.39 119.66 127.62 3k43 s GLN 68 Ca 0.01 1.89 0.20 0.00 0.05 0.00 0.00 55.36 57.51 3k43 s GLN 68 Cb -0.16 -3.86 0.76 0.00 1.10 0.00 0.00 33.01 30.85 3k43 s GLN 68 CO -0.07 -0.77 1.77 0.87 -0.55 0.00 0.00 175.29 176.54 3k43 h LYS 69 N 8.79 0.00 -0.93 1.67 1.57 -1.57 0.40 116.57 126.50 3k43 h LYS 69 Ca -0.32 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.45 3k43 h LYS 69 Cb 1.14 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.40 3k43 h LYS 69 CO 0.96 0.32 0.55 0.66 -0.57 0.00 0.00 179.45 181.38 3k43 h SER 70 N 0.00 1.13 0.00 0.86 4.64 -1.79 -3.35 113.55 115.04 3k43 h SER 70 Ca -0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3k43 h SER 70 Cb 0.84 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3k43 h SER 70 CO 0.04 0.87 0.00 -0.46 -0.87 0.00 0.00 176.83 176.41 3k43 n ASN 71 N -4.35 0.34 0.00 4.97 0.23 -1.21 -5.03 115.26 110.21 3k43 n ASN 71 Ca 0.10 -0.91 0.00 0.00 -0.53 0.00 0.00 54.58 53.25 3k43 n ASN 71 Cb 0.07 0.04 0.00 0.00 -2.08 0.00 0.00 39.78 37.81 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 0.04 0.69 3.69 4.83 0.00 0.14 -5.00 105.19 109.58 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 -0.12 4.15 -0.14 1.61 2.20 -1.22 -4.66 119.74 121.56 3k43 s LYS 73 Ca 0.00 2.55 -0.10 0.00 -0.36 0.00 0.00 55.97 58.07 3k43 s LYS 73 Cb 0.00 -3.68 -0.05 0.00 -1.51 0.00 0.00 37.83 32.60 3k43 s LYS 73 CO 0.00 -0.84 0.19 -1.21 -0.36 0.00 0.00 175.35 173.13 3k43 s GLU 74 N 2.97 3.87 -0.08 4.03 2.02 -1.26 -0.90 118.70 129.36 3k43 s GLU 74 Ca 0.81 -0.06 0.04 0.00 0.02 0.00 0.00 54.97 55.77 3k43 s GLU 74 Cb -0.44 -3.31 0.00 0.00 0.10 0.00 0.00 34.13 30.48 3k43 s GLU 74 CO 0.36 0.52 -0.20 0.99 0.02 0.00 0.00 175.26 176.96 3k43 s THR 75 N -0.33 1.72 -0.20 3.63 2.01 0.56 -4.96 115.64 118.07 3k43 s THR 75 Ca 0.14 -0.83 -0.28 0.00 0.31 0.00 0.00 61.69 61.03 3k43 s THR 75 Cb -0.12 -1.50 0.00 0.00 0.01 0.00 0.00 72.50 70.89 3k43 s THR 75 CO 0.03 0.48 0.99 -0.69 -0.69 0.00 0.00 174.62 174.74 3k43 s VAL 76 N 0.40 4.74 -0.10 3.82 1.01 -1.26 -0.69 120.40 128.31 3k43 s VAL 76 Ca -0.16 1.94 -0.02 0.00 0.00 0.00 0.00 61.98 63.74 3k43 s VAL 76 Cb -0.17 -4.27 -0.26 0.00 0.00 0.00 0.00 36.38 31.69 3k43 s VAL 76 CO 0.07 -0.10 0.44 0.52 0.00 0.00 0.00 175.10 176.02 3k43 n VAL 77 N 5.07 1.75 -3.49 2.92 0.31 -0.44 0.57 118.33 125.01 3k43 n VAL 77 Ca 0.10 -0.69 -0.15 0.00 -0.01 0.00 0.00 64.34 63.59 3k43 n VAL 77 Cb 0.47 -1.58 -0.04 0.00 -0.91 0.00 0.00 33.84 31.78 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 -5.47 -0.56 -0.03 2.92 0.00 -1.16 -1.58 107.32 101.44 3k43 s GLY 78 Ca -0.18 1.11 0.04 0.00 0.00 0.00 0.00 44.72 45.69 3k43 s GLY 78 CO 0.78 0.68 -0.13 0.50 0.00 0.00 0.00 173.10 174.94 3k43 s ARG 79 N -2.09 2.48 0.00 2.90 0.52 0.73 -0.62 118.95 122.87 3k43 s ARG 79 Ca -0.05 -0.72 0.30 0.00 -0.52 0.00 0.00 55.73 54.74 3k43 s ARG 79 Cb -0.00 -2.39 1.68 0.00 0.52 0.00 0.00 34.95 34.76 3k43 s ARG 79 CO 0.01 0.62 2.10 1.97 0.02 0.00 0.00 175.30 180.01 3k43 n PHE 80 N 2.12 0.00 1.74 -0.53 1.16 -1.16 -2.37 117.46 118.43 3k43 n PHE 80 Ca -0.17 0.00 0.15 0.00 -1.87 0.00 0.00 57.45 55.56 3k43 n PHE 80 Cb 0.52 -0.12 0.82 0.00 -1.61 0.00 0.00 39.48 39.09 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 -1.12 0.21 -3.21 5.98 6.94 -1.26 -0.42 115.26 122.38 3k43 n ASN 81 Ca 0.19 -0.80 -0.24 0.00 -0.02 0.00 0.00 54.58 53.71 3k43 n ASN 81 Cb 0.16 -0.07 -0.07 0.00 -2.36 0.00 0.00 39.78 37.44 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 -0.94 1.01 -3.98 -3.83 1.02 -1.00 -4.41 120.64 108.51 3k43 n GLU 82 Ca 0.20 -3.45 -0.31 0.00 -0.02 0.00 0.00 57.16 53.59 3k43 n GLU 82 Cb 0.19 -1.41 -0.05 0.00 -0.02 0.00 0.00 31.44 30.14 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 -1.54 5.01 -0.00 2.62 2.01 0.11 -1.59 115.64 122.27 3k43 s THR 83 Ca 0.36 -0.57 -0.00 0.00 0.31 0.00 0.00 61.69 61.80 3k43 s THR 83 Cb 0.19 -3.44 0.00 0.00 0.01 0.00 0.00 72.50 69.26 3k43 s THR 83 CO -0.09 0.12 0.00 -1.10 -0.69 0.00 0.00 174.62 172.86 3k43 s GLN 84 N -2.49 -0.00 -0.07 4.92 -0.21 -0.59 -0.83 119.66 120.39 3k43 s GLN 84 Ca 0.33 0.02 -0.03 0.00 0.02 0.00 0.00 55.36 55.69 3k43 s GLN 84 Cb -0.13 -0.02 0.03 0.00 1.00 0.00 0.00 33.01 33.90 3k43 s GLN 84 CO 0.25 -0.01 0.15 -1.50 -2.12 0.00 0.00 175.29 172.06 3k43 s ILE 85 N 0.08 -0.04 0.02 1.08 2.07 -1.26 -0.51 121.20 122.65 3k43 s ILE 85 Ca -0.01 0.14 0.03 0.00 -1.41 0.00 0.00 60.65 59.40 3k43 s ILE 85 Cb -0.01 -0.24 -0.02 0.00 0.13 0.00 0.00 42.46 42.32 3k43 s ILE 85 CO -0.00 0.06 -0.10 -0.36 -1.91 0.00 0.00 174.94 172.63 3k43 s PHE 86 N 0.94 0.85 -0.12 3.50 0.40 -0.27 -4.64 117.98 118.64 3k43 s PHE 86 Ca -0.07 -0.30 0.02 0.00 -0.60 0.00 0.00 56.93 55.98 3k43 s PHE 86 Cb -0.09 -0.52 -0.00 0.00 0.51 0.00 0.00 43.02 42.92 3k43 s PHE 86 CO -0.05 -0.01 -0.20 -1.14 0.70 0.00 0.00 175.22 174.52 3k43 s GLN 87 N -0.88 3.16 0.00 0.44 0.74 -1.26 0.67 119.66 122.53 3k43 s GLN 87 Ca -0.01 -0.81 0.00 0.00 0.05 0.00 0.00 55.36 54.59 3k43 s GLN 87 Cb -0.06 -2.45 0.00 0.00 1.10 0.00 0.00 33.01 31.59 3k43 s GLN 87 CO 0.00 0.14 0.00 0.41 -0.55 0.00 0.00 175.29 175.29 3k43 n GLY 88 N 3.68 2.65 0.11 2.59 0.00 0.62 -4.99 105.19 109.85 3k43 n GLY 88 Ca -0.19 -2.05 -0.11 0.00 0.00 0.00 0.00 46.02 43.67 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 0.22 -0.16 1.61 4.64 -2.00 -3.35 113.55 114.51 3k43 h SER 89 Ca 0.00 -0.17 -0.20 0.00 -0.47 0.00 0.00 61.79 60.95 3k43 h SER 89 Cb 0.00 -0.06 -0.35 0.00 -0.31 0.00 0.00 62.40 61.68 3k43 h SER 89 CO 0.00 0.33 -0.99 -0.46 -0.87 0.00 0.00 176.83 174.85 3k43 n ASN 90 N -4.86 1.47 -3.81 4.97 6.94 -1.26 -3.85 115.26 114.86 3k43 n ASN 90 Ca -0.05 -2.33 -0.09 0.00 -0.02 0.00 0.00 54.58 52.09 3k43 n ASN 90 Cb 0.12 -0.38 -0.04 0.00 -2.36 0.00 0.00 39.78 37.12 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 -1.64 0.02 -0.02 -2.53 1.48 -1.15 -0.15 118.94 114.94 3k43 s TRP 91 Ca 0.34 -0.38 0.00 0.00 -1.06 0.00 0.00 56.10 55.00 3k43 s TRP 91 Cb 0.37 0.31 0.03 0.00 -1.16 0.00 0.00 33.47 33.02 3k43 s TRP 91 CO -0.11 -0.91 0.02 0.42 -4.06 0.00 0.00 176.95 172.31 3k43 s ILE 92 N -3.91 0.01 -0.28 0.66 1.01 0.28 -0.28 121.20 118.69 3k43 s ILE 92 Ca 0.12 0.19 -0.08 0.00 0.00 0.00 0.00 60.65 60.88 3k43 s ILE 92 Cb -0.00 -0.14 -0.02 0.00 0.01 0.00 0.00 42.46 42.31 3k43 s ILE 92 CO -0.00 0.11 0.10 -0.32 0.00 0.00 0.00 174.94 174.83 3k43 s MET 93 N 1.09 3.46 -0.14 2.79 -2.45 0.21 -0.43 119.30 123.83 3k43 s MET 93 Ca -0.09 -0.62 -0.03 0.00 -1.25 0.00 0.00 55.69 53.70 3k43 s MET 93 Cb -0.13 -3.42 -0.03 0.00 1.25 0.00 0.00 34.83 32.50 3k43 s MET 93 CO -0.03 -0.31 -0.04 -1.17 1.05 0.00 0.00 175.02 174.53 3k43 s LEU 94 N 1.60 3.25 -0.07 4.11 2.96 -0.61 -1.11 118.68 128.81 3k43 s LEU 94 Ca 0.05 -0.11 0.04 0.00 -0.22 0.00 0.00 54.13 53.89 3k43 s LEU 94 Cb -0.16 -1.77 0.00 0.00 0.50 0.00 0.00 46.19 44.76 3k43 s LEU 94 CO 0.04 0.20 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.47 3k43 s ILE 95 N 0.20 1.50 -0.25 6.68 1.01 0.34 -0.98 121.20 129.70 3k43 s ILE 95 Ca -0.02 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 59.92 3k43 s ILE 95 Cb -0.14 -1.32 0.04 0.00 0.01 0.00 0.00 42.46 41.06 3k43 s ILE 95 CO 0.03 0.43 -0.08 -0.31 0.00 0.00 0.00 174.94 175.01 3k43 s TYR 96 N 0.35 3.14 0.33 3.97 4.12 -0.29 -1.55 117.35 127.42 3k43 s TYR 96 Ca -0.12 -1.90 0.04 0.00 0.02 0.00 0.00 57.07 55.11 3k43 s TYR 96 Cb -0.15 -2.01 0.06 0.00 -1.52 0.00 0.00 41.96 38.34 3k43 s TYR 96 CO 0.05 -0.81 0.46 1.63 0.02 0.00 0.00 175.55 176.90 3k43 n LYS 97 N 4.57 0.64 -2.01 -0.62 5.02 -0.62 -0.41 118.16 124.73 3k43 n LYS 97 Ca -0.16 -1.63 -0.10 0.00 -2.02 0.00 0.00 58.31 54.41 3k43 n LYS 97 Cb 0.45 -0.19 -0.01 0.00 -0.02 0.00 0.00 35.03 35.26 3k43 n LYS 97 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k43 n GLY 98 N 1.11 0.20 3.72 0.72 0.00 -1.21 -0.19 105.19 109.53 3k43 n GLY 98 Ca 0.09 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.61 1.67 0.55 -0.02 0.00 0.77 -4.44 107.32 103.24 3k43 s GLY 99 Ca 0.00 -1.11 -0.21 0.00 0.00 0.00 0.00 44.72 43.40 3k43 s GLY 99 CO 0.00 -0.24 1.26 0.99 0.00 0.00 0.00 173.10 175.11 3k43 s ASP 100 N -4.32 5.39 0.52 1.64 1.01 0.19 -3.34 116.67 117.76 3k43 s ASP 100 Ca 0.73 2.53 -0.19 0.00 0.71 0.00 0.00 52.55 56.32 3k43 s ASP 100 Cb -0.06 -2.61 -0.07 0.00 1.01 0.00 0.00 42.92 41.18 3k43 s ASP 100 CO 0.55 -1.47 1.06 -1.61 0.21 0.00 0.00 175.17 173.91 3k43 s GLU 101 N -3.04 3.61 0.51 8.23 2.02 -1.26 -1.57 118.70 127.20 3k43 s GLU 101 Ca 0.73 1.39 -0.21 0.00 0.02 0.00 0.00 54.97 56.90 3k43 s GLU 101 Cb -0.34 -2.06 -0.06 0.00 0.10 0.00 0.00 34.13 31.76 3k43 s GLU 101 CO 0.39 -0.60 1.17 0.71 0.02 0.00 0.00 175.26 176.95 3k43 s TYR 102 N -2.02 2.69 -0.15 1.61 2.02 -0.58 -4.88 117.35 116.05 3k43 s TYR 102 Ca 0.68 1.53 -0.27 0.00 -0.37 0.00 0.00 57.07 58.63 3k43 s TYR 102 Cb -0.18 -3.39 -0.24 0.00 -0.40 0.00 0.00 41.96 37.75 3k43 s TYR 102 CO 0.25 -1.72 0.65 -0.44 -1.57 0.00 0.00 175.55 172.71 3k43 h ASP 103 N 1.54 0.00 -0.71 2.29 3.32 -1.93 -3.39 116.42 117.55 3k43 h ASP 103 Ca -0.50 -0.89 -0.31 0.00 0.02 0.00 0.00 57.03 55.35 3k43 h ASP 103 Cb 1.26 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.45 3k43 h ASP 103 CO 0.58 1.11 -1.06 -0.46 -1.72 0.00 0.00 179.24 177.69 3k43 n ASN 104 N -4.57 1.04 -3.73 6.45 2.04 -1.26 -4.86 115.26 110.37 3k43 n ASN 104 Ca -0.15 -2.48 -0.10 0.00 -0.44 0.00 0.00 54.58 51.42 3k43 n ASN 104 Cb 0.52 -0.32 -0.04 0.00 -2.53 0.00 0.00 39.78 37.41 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 -2.86 -0.08 -1.46 -2.53 3.76 -1.26 -5.00 115.29 105.86 3k43 s HIS 105 Ca 0.26 -0.26 -0.09 0.00 -0.15 0.00 0.00 55.06 54.82 3k43 s HIS 105 Cb 0.42 0.28 0.01 0.00 1.11 0.00 0.00 32.58 34.40 3k43 s HIS 105 CO -0.00 -0.81 0.20 0.00 -0.85 0.00 0.00 174.74 173.28 3k43 n GLY 107 N -2.43 0.90 2.84 0.00 0.00 -1.26 -2.02 105.19 103.22 3k43 n GLY 107 Ca -0.27 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.71 -3.24 -2.23 1.61 1.74 0.88 -4.96 116.66 109.75 3k43 n ARG 108 Ca -0.09 0.73 -0.26 0.00 -0.77 0.00 0.00 57.85 57.46 3k43 n ARG 108 Cb 0.52 -5.45 0.06 0.00 -1.02 0.00 0.00 32.46 26.58 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 -5.49 2.28 0.21 5.56 -1.05 -0.86 -4.12 118.70 115.24 3k43 s GLU 109 Ca 0.19 -0.24 -0.30 0.00 -0.15 0.00 0.00 54.97 54.47 3k43 s GLU 109 Cb -0.09 -2.19 -0.09 0.00 -0.44 0.00 0.00 34.13 31.32 3k43 s GLU 109 CO 0.24 -1.17 1.31 -0.65 0.95 0.00 0.00 175.26 175.94 3k43 s GLN 110 N -5.21 4.38 0.92 -4.83 -0.21 -1.26 -1.52 119.66 111.93 3k43 s GLN 110 Ca 0.59 2.07 -0.12 0.00 0.02 0.00 0.00 55.36 57.93 3k43 s GLN 110 Cb -0.11 -3.18 0.14 0.00 1.00 0.00 0.00 33.01 30.86 3k43 s GLN 110 CO 0.45 -0.25 1.09 1.03 -2.12 0.00 0.00 175.29 175.49 3k43 s ARG 111 N -0.24 1.10 -0.02 2.91 0.52 -0.61 -4.71 118.95 117.90 3k43 s ARG 111 Ca 0.56 0.81 -0.20 0.00 -0.52 0.00 0.00 55.73 56.39 3k43 s ARG 111 Cb -0.37 -1.79 0.04 0.00 0.52 0.00 0.00 34.95 33.35 3k43 s ARG 111 CO 0.39 -2.35 0.43 -0.98 0.02 0.00 0.00 175.30 172.81 3k43 s ARG 112 N -4.91 0.81 -0.10 3.54 1.70 -0.62 -0.16 118.95 119.21 3k43 s ARG 112 Ca 0.64 -0.09 0.01 0.00 -0.47 0.00 0.00 55.73 55.82 3k43 s ARG 112 Cb -0.18 0.37 -0.02 0.00 -0.57 0.00 0.00 34.95 34.54 3k43 s ARG 112 CO 0.57 -0.24 -0.11 0.00 -1.08 0.00 0.00 175.30 174.44 3k43 s ALA 113 N -1.43 2.75 -0.17 7.88 0.00 0.45 -3.99 121.76 127.26 3k43 s ALA 113 Ca -0.12 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 50.94 3k43 s ALA 113 Cb -0.03 -1.19 0.02 0.00 0.00 0.00 0.00 23.12 21.92 3k43 s ALA 113 CO 0.05 0.40 -0.17 0.08 0.00 0.00 0.00 175.76 176.12 3k43 s VAL 114 N -0.18 1.86 -0.20 0.00 1.01 -0.31 -1.14 120.40 121.43 3k43 s VAL 114 Ca 0.01 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 3k43 s VAL 114 Cb -0.13 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.53 3k43 s VAL 114 CO 0.03 0.46 -0.12 -0.69 0.00 0.00 0.00 175.10 174.78 3k43 s VAL 115 N 1.36 2.73 -0.42 2.92 1.01 -0.15 0.99 120.40 128.85 3k43 s VAL 115 Ca 0.04 -0.72 -0.18 0.00 0.00 0.00 0.00 61.98 61.12 3k43 s VAL 115 Cb -0.13 -2.21 0.02 0.00 0.00 0.00 0.00 36.38 34.06 3k43 s VAL 115 CO -0.12 0.47 0.49 -0.04 0.00 0.00 0.00 175.10 175.91 3k43 s MET 116 N 1.39 3.20 -0.42 2.72 -1.94 0.96 -1.58 119.30 123.62 3k43 s MET 116 Ca 0.05 -0.61 -0.18 0.00 -1.71 0.00 0.00 55.69 53.25 3k43 s MET 116 Cb -0.14 -3.95 0.02 0.00 2.01 0.00 0.00 34.83 32.78 3k43 s MET 116 CO -0.08 -0.86 0.45 0.42 -0.01 0.00 0.00 175.02 174.94 3k43 s ILE 117 N 2.32 5.07 0.14 2.53 1.01 0.43 -1.92 121.20 130.77 3k43 s ILE 117 Ca 0.15 -0.33 -0.15 0.00 0.00 0.00 0.00 60.65 60.32 3k43 s ILE 117 Cb -0.16 -4.06 -0.07 0.00 0.01 0.00 0.00 42.46 38.18 3k43 s ILE 117 CO 0.15 -0.45 0.55 -0.44 0.00 0.00 0.00 174.94 174.75 3k43 s SER 118 N 1.85 6.85 0.32 3.58 0.01 -0.43 -0.56 113.70 125.32 3k43 s SER 118 Ca 0.13 1.10 -0.29 0.00 1.31 0.00 0.00 55.95 58.19 3k43 s SER 118 Cb -0.17 -2.30 -0.11 0.00 0.21 0.00 0.00 66.02 63.66 3k43 s SER 118 CO 0.14 0.12 1.51 0.00 0.41 0.00 0.00 173.24 175.42 3k43 s ASN 120 N 0.16 0.11 0.00 0.00 3.84 -1.07 -4.78 114.94 113.20 3k43 s ASN 120 Ca 0.58 -0.07 0.00 0.00 0.21 0.00 0.00 52.86 53.58 3k43 s ASN 120 Cb -0.46 1.23 0.00 0.00 -0.55 0.00 0.00 41.25 41.47 3k43 s ASN 120 CO 0.53 -0.33 0.51 -2.11 -2.79 0.00 0.00 177.10 172.91 3k43 n ARG 121 N 5.37 0.98 0.00 0.43 1.85 -1.26 -2.25 116.66 121.77 3k43 n ARG 121 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.84 3k43 n ARG 121 Cb 0.50 -1.47 0.00 0.00 -1.05 0.00 0.00 32.46 30.44 3k43 n ARG 121 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3k43 n HIS 122 N 0.03 0.00 -3.73 2.89 8.25 -1.26 -4.99 115.22 116.41 3k43 n HIS 122 Ca 0.00 -0.22 -0.13 0.00 -0.26 0.00 0.00 57.72 57.10 3k43 n HIS 122 Cb 0.25 -0.02 -0.10 0.00 1.12 0.00 0.00 29.99 31.24 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 -0.45 0.01 0.10 1.59 -1.32 -1.18 -5.01 115.64 109.38 3k43 s THR 123 Ca 0.00 -0.05 0.14 0.00 -1.21 0.00 0.00 61.69 60.57 3k43 s THR 123 Cb 0.00 -0.59 0.01 0.00 -1.51 0.00 0.00 72.50 70.40 3k43 s THR 123 CO 0.00 -0.03 1.54 0.25 -2.21 0.00 0.00 174.62 174.18 3k43 h LEU 124 N 5.27 0.00 -7.00 9.08 5.85 -1.87 -0.16 115.31 126.49 3k43 h LEU 124 Ca -0.27 0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.62 3k43 h LEU 124 Cb 1.18 0.00 -0.31 0.00 0.37 0.00 0.00 40.66 41.90 3k43 h LEU 124 CO 0.26 0.59 0.68 0.00 -0.34 0.00 0.00 178.44 179.64 3k43 s ALA 125 N -3.26 -2.44 -0.08 1.25 0.00 -1.24 -4.01 121.76 111.98 3k43 s ALA 125 Ca 0.01 1.95 -0.32 0.00 0.00 0.00 0.00 51.96 53.60 3k43 s ALA 125 Cb 0.10 -1.85 0.14 0.00 0.00 0.00 0.00 23.12 21.52 3k43 s ALA 125 CO 0.75 -0.27 1.40 0.34 0.00 0.00 0.00 175.76 177.98 3k43 s ASP 126 N 0.82 -0.01 -1.23 0.00 2.15 -0.09 -4.97 116.67 113.34 3k43 s ASP 126 Ca -0.04 -0.04 -0.00 0.00 0.43 0.00 0.00 52.55 52.90 3k43 s ASP 126 Cb -0.03 0.04 0.00 0.00 -0.30 0.00 0.00 42.92 42.63 3k43 s ASP 126 CO -0.12 -0.08 0.94 0.59 -0.17 0.00 0.00 175.17 176.33 3k43 n ASN 127 N -0.53 -1.99 -4.74 -0.34 3.02 -1.26 0.44 115.26 109.86 3k43 n ASN 127 Ca -0.09 -0.66 -0.40 0.00 -0.03 0.00 0.00 54.58 53.40 3k43 n ASN 127 Cb 0.63 -4.90 -0.05 0.00 -0.61 0.00 0.00 39.78 34.86 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 -3.42 3.74 -0.18 3.10 2.19 -1.26 -3.89 117.98 118.26 3k43 s PHE 128 Ca 0.02 1.55 -0.30 0.00 0.33 0.00 0.00 56.93 58.52 3k43 s PHE 128 Cb -0.01 -2.89 0.14 0.00 -1.31 0.00 0.00 43.02 38.95 3k43 s PHE 128 CO 0.75 0.23 1.10 0.54 1.83 0.00 0.00 175.22 179.67 3k43 s ASN 129 N 0.07 -0.26 0.62 6.13 4.22 0.03 -4.66 114.94 121.08 3k43 s ASN 129 Ca 0.41 0.23 -0.15 0.00 -2.14 0.00 0.00 52.86 51.21 3k43 s ASN 129 Cb -0.21 0.23 -0.02 0.00 1.28 0.00 0.00 41.25 42.52 3k43 s ASN 129 CO 0.24 -0.28 1.08 -2.16 -2.04 0.00 0.00 177.10 173.94 3k43 s PRO 130 N -1.44 3.12 0.00 3.55 0.04 -1.26 -0.77 135.00 138.24 3k43 s PRO 130 Ca 0.03 1.27 0.29 0.00 0.04 0.00 0.00 61.00 62.63 3k43 s PRO 130 Cb -0.01 -2.00 1.36 0.00 0.04 0.00 0.00 34.50 33.89 3k43 s PRO 130 CO -0.02 -0.98 1.97 0.28 0.04 0.00 0.00 177.00 178.29 3k43 n VAL 131 N -2.18 0.00 -3.92 -0.36 0.31 0.06 -4.82 118.33 107.42 3k43 n VAL 131 Ca 0.09 -0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.32 3k43 n VAL 131 Cb 0.52 -0.44 -0.01 0.00 -0.91 0.00 0.00 33.84 33.00 3k43 n VAL 131 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3k43 s SER 132 N -2.74 0.18 0.33 4.52 0.01 -1.26 -5.10 113.70 109.63 3k43 s SER 132 Ca 0.22 -1.11 -0.05 0.00 1.31 0.00 0.00 55.95 56.32 3k43 s SER 132 Cb 0.20 0.74 -0.05 0.00 0.21 0.00 0.00 66.02 67.12 3k43 s SER 132 CO 0.50 -1.45 0.61 -1.61 0.41 0.00 0.00 173.24 171.70 3k43 s GLU 133 N -3.04 3.63 0.22 12.44 2.02 -1.26 -4.82 118.70 127.90 3k43 s GLU 133 Ca 0.20 0.06 -0.05 0.00 0.02 0.00 0.00 54.97 55.20 3k43 s GLU 133 Cb -0.03 -2.58 0.40 0.00 0.10 0.00 0.00 34.13 32.02 3k43 s GLU 133 CO 0.13 0.12 1.23 -1.91 0.02 0.00 0.00 175.26 174.85 3k43 n GLU 134 N -1.23 -0.07 0.18 1.61 0.00 -1.26 -0.58 120.64 119.29 3k43 n GLU 134 Ca -0.01 1.22 -0.15 0.00 0.00 0.00 0.00 57.16 58.22 3k43 n GLU 134 Cb 0.54 -1.84 -0.07 0.00 0.00 0.00 0.00 31.44 30.07 3k43 n GLU 134 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 3k43 h ARG 135 N 0.00 -0.67 -0.63 5.31 2.43 -1.95 -1.06 114.38 117.81 3k43 h ARG 135 Ca 0.39 0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.59 3k43 h ARG 135 Cb 0.64 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.31 3k43 h ARG 135 CO -0.80 -0.45 0.32 0.78 -1.51 0.00 0.00 179.97 178.31 3k43 h GLY 136 N -0.70 0.96 1.07 2.80 0.00 -1.22 -2.25 103.07 103.72 3k43 h GLY 136 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3k43 h GLY 136 CO -0.12 0.44 0.59 -0.33 0.00 0.00 0.00 176.54 177.12 3k43 h MET 137 N 0.86 1.25 -0.32 4.80 2.86 -0.82 -1.02 114.93 122.53 3k43 h MET 137 Ca 0.22 -0.09 -0.10 0.00 -2.06 0.00 0.00 59.70 57.66 3k43 h MET 137 Cb 0.09 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.48 3k43 h MET 137 CO -0.03 0.85 -0.19 0.28 1.06 0.00 0.00 176.91 178.87 3k43 h VAL 138 N 1.27 1.29 -0.68 -2.22 2.07 -1.05 -1.37 116.25 115.58 3k43 h VAL 138 Ca 0.34 -1.32 0.07 0.00 0.82 0.00 0.00 66.70 66.61 3k43 h VAL 138 Cb -0.10 1.47 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 3k43 h VAL 138 CO -0.07 0.43 0.36 1.56 0.02 0.00 0.00 177.57 179.87 3k43 h GLN 139 N 0.45 0.62 -0.00 1.57 4.20 -0.99 -1.18 115.11 119.78 3k43 h GLN 139 Ca 0.07 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.74 3k43 h GLN 139 Cb 0.74 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.38 3k43 h GLN 139 CO 0.05 0.41 -0.04 -0.25 -0.67 0.00 0.00 178.83 178.34 3k43 n ASP 140 N -4.82 0.18 -3.96 1.46 8.00 -0.43 -4.92 116.55 112.07 3k43 n ASP 140 Ca 0.09 -0.45 -0.31 0.00 0.71 0.00 0.00 54.79 54.84 3k43 n ASP 140 Cb 0.21 -0.16 0.02 0.00 -0.02 0.00 0.00 41.12 41.16 3k43 n ASP 140 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k43 s PHE 142 N -3.34 -0.95 -0.51 0.00 5.99 -0.85 -5.04 117.98 113.28 3k43 s PHE 142 Ca 0.62 1.54 -0.18 0.00 0.00 0.00 0.00 56.93 58.91 3k43 s PHE 142 Cb -0.32 0.35 0.07 0.00 0.00 0.00 0.00 43.02 43.13 3k43 s PHE 142 CO 0.85 -0.59 0.56 0.71 -0.00 0.00 0.00 175.22 176.75 3k43 s TYR 143 N 2.67 3.11 -0.12 10.12 1.51 -1.26 -4.66 117.35 128.72 3k43 s TYR 143 Ca 0.02 -0.75 0.00 0.00 -1.01 0.00 0.00 57.07 55.34 3k43 s TYR 143 Cb -0.13 -3.49 -0.01 0.00 -0.11 0.00 0.00 41.96 38.22 3k43 s TYR 143 CO -0.15 -0.99 -0.14 -1.17 -1.11 0.00 0.00 175.55 171.99 3k43 s LEU 144 N 2.27 2.65 0.30 -1.29 2.96 -1.26 -1.16 118.68 123.15 3k43 s LEU 144 Ca 0.11 -0.34 0.04 0.00 -0.22 0.00 0.00 54.13 53.71 3k43 s LEU 144 Cb -0.22 -1.59 -0.06 0.00 0.50 0.00 0.00 46.19 44.82 3k43 s LEU 144 CO 0.09 0.17 0.03 -0.36 -1.32 0.00 0.00 176.35 174.96 3k43 s PHE 145 N 0.29 1.87 0.07 5.38 0.40 0.28 -0.76 117.98 125.51 3k43 s PHE 145 Ca -0.11 -0.91 -0.08 0.00 -0.60 0.00 0.00 56.93 55.23 3k43 s PHE 145 Cb -0.16 -1.17 -0.00 0.00 0.51 0.00 0.00 43.02 42.20 3k43 s PHE 145 CO 0.06 0.04 0.18 -1.83 0.70 0.00 0.00 175.22 174.37 3k43 s GLU 146 N -3.86 0.78 0.11 0.44 -1.05 0.05 -0.02 118.70 115.15 3k43 s GLU 146 Ca 0.34 -0.87 -0.26 0.00 -0.15 0.00 0.00 54.97 54.03 3k43 s GLU 146 Cb 0.07 0.32 0.07 0.00 -0.44 0.00 0.00 34.13 34.15 3k43 s GLU 146 CO 0.13 -0.24 0.94 0.00 0.95 0.00 0.00 175.26 177.05 3k43 s MET 147 N -3.44 1.10 0.04 -4.83 0.23 -0.81 -0.79 119.30 110.80 3k43 s MET 147 Ca 0.02 -0.57 0.05 0.00 -1.03 0.00 0.00 55.69 54.16 3k43 s MET 147 Cb 0.03 0.40 -0.04 0.00 -1.53 0.00 0.00 34.83 33.70 3k43 s MET 147 CO -0.09 -0.50 -0.09 -0.51 -2.03 0.00 0.00 175.02 171.80 3k43 s ASP 148 N -2.83 4.43 -0.28 -1.18 1.01 0.17 -1.31 116.67 116.67 3k43 s ASP 148 Ca 0.10 -0.26 -0.22 0.00 0.71 0.00 0.00 52.55 52.88 3k43 s ASP 148 Cb -0.01 -0.94 0.12 0.00 1.01 0.00 0.00 42.92 43.10 3k43 s ASP 148 CO -0.01 0.25 0.96 -0.55 0.21 0.00 0.00 175.17 176.03 3k43 s SER 149 N -1.66 -0.54 0.00 0.27 0.15 -0.75 -0.91 113.70 110.26 3k43 s SER 149 Ca 0.18 0.97 0.19 0.00 0.70 0.00 0.00 55.95 57.99 3k43 s SER 149 Cb -0.11 1.06 0.91 0.00 -1.71 0.00 0.00 66.02 66.17 3k43 s SER 149 CO 0.09 -0.16 1.60 -1.54 1.20 0.00 0.00 173.24 174.42 3k43 n SER 150 N 2.80 0.00 0.24 5.45 3.41 -0.07 -2.09 113.62 123.36 3k43 n SER 150 Ca -0.15 0.20 0.14 0.00 -0.26 0.00 0.00 58.87 58.80 3k43 n SER 150 Cb 0.56 -0.37 0.47 0.00 -0.26 0.00 0.00 64.21 64.62 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 -0.62 1.04 3.38 -1.84 -2.73 115.31 114.54 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 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3k43 h LEU 151 CO 0.00 0.07 -0.11 0.00 0.09 0.00 0.00 178.44 178.48 3k43 n ALA 152 N -2.13 2.80 -1.93 1.53 0.00 -0.89 -4.88 120.51 115.02 3k43 n ALA 152 Ca 0.01 -0.39 -0.36 0.00 0.00 0.00 0.00 53.44 52.71 3k43 n ALA 152 Cb 0.41 -1.20 -0.06 0.00 0.00 0.00 0.00 19.45 18.60 3k43 n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50