#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k42 s LYS 4 N 0.00 4.33 0.00 5.31 -0.14 -1.26 -5.02 119.74 122.96 3k42 s LYS 4 Ca 0.00 1.83 0.00 0.00 -1.36 0.00 0.00 55.97 56.44 3k42 s LYS 4 Cb 0.00 -3.53 0.00 0.00 -1.68 0.00 0.00 37.83 32.62 3k42 s LYS 4 CO 0.00 -0.49 0.00 -2.37 -0.76 0.00 0.00 175.35 171.73 3k42 n THR 5 N 4.55 0.00 -1.95 2.17 5.66 -1.26 -4.72 114.28 118.73 3k42 n THR 5 Ca 0.12 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.71 3k42 n THR 5 Cb 0.45 -0.08 -0.02 0.00 -1.55 0.00 0.00 70.33 69.13 3k42 n THR 5 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3k42 s ASP 7 N 0.12 5.03 0.18 0.00 -0.00 0.00 -4.98 116.67 117.02 3k42 s ASP 7 Ca 0.57 -1.09 -0.31 0.00 -0.00 0.00 0.00 52.55 51.72 3k42 s ASP 7 Cb -0.43 -1.80 -0.10 0.00 -0.00 0.00 0.00 42.92 40.59 3k42 s ASP 7 CO 0.50 -0.26 1.50 -0.76 -0.00 0.00 0.00 175.17 176.15 3k42 s LEU 8 N 1.36 4.38 0.60 1.23 1.02 -1.26 -0.99 118.68 125.01 3k42 s LEU 8 Ca -0.02 2.58 -0.19 0.00 0.02 0.00 0.00 54.13 56.52 3k42 s LEU 8 Cb -0.19 -3.60 -0.03 0.00 0.02 0.00 0.00 46.19 42.39 3k42 s LEU 8 CO 0.01 -0.76 1.25 -0.69 0.02 0.00 0.00 176.35 176.18 3k42 s VAL 9 N 0.79 2.41 0.00 -1.59 1.01 0.07 -4.83 120.40 118.25 3k42 s VAL 9 Ca 0.66 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.90 3k42 s VAL 9 Cb -0.42 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 32.85 3k42 s VAL 9 CO 0.35 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.01 3k42 n GLY 10 N 0.65 1.17 2.68 4.51 0.00 -1.26 -5.03 105.19 107.91 3k42 n GLY 10 Ca 0.14 -1.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.13 3k42 n GLY 10 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3k42 s GLU 15 N 0.00 0.11 -0.37 1.61 -1.05 -1.26 -5.21 118.70 112.53 3k42 s GLU 15 Ca 0.00 -0.09 -0.17 0.00 -0.15 0.00 0.00 54.97 54.56 3k42 s GLU 15 Cb 0.00 0.00 0.02 0.00 -0.44 0.00 0.00 34.13 33.71 3k42 s GLU 15 CO 0.00 -0.14 0.44 0.45 0.95 0.00 0.00 175.26 176.96 3k42 n SER 16 N 2.95 -7.25 0.24 0.83 2.88 -1.26 -4.75 113.62 107.26 3k42 n SER 16 Ca 0.09 0.54 0.16 0.00 -1.33 0.00 0.00 58.87 58.32 3k42 n SER 16 Cb 0.65 -4.11 0.69 0.00 -0.75 0.00 0.00 64.21 60.68 3k42 n SER 16 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 3k42 h GLU 17 N 2.39 0.00 -0.26 -1.46 4.11 -2.05 -2.42 114.58 114.88 3k42 h GLU 17 Ca -0.14 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.20 3k42 h GLU 17 Cb 0.90 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 3k42 h GLU 17 CO 0.17 0.00 -0.19 -0.22 0.07 0.00 0.00 179.01 178.84 3k42 h LYS 18 N 0.00 0.59 0.00 1.06 3.64 -1.99 -1.19 116.57 118.68 3k42 h LYS 18 Ca 0.00 -0.29 -0.11 0.00 -1.27 0.00 0.00 60.65 58.98 3k42 h LYS 18 Cb 0.41 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 3k42 h LYS 18 CO 0.00 0.87 -0.53 1.96 -2.27 0.00 0.00 179.45 179.48 3k42 h GLN 19 N 0.32 0.00 -0.10 1.90 4.20 -1.77 -1.85 115.11 117.81 3k42 h GLN 19 Ca 0.05 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.61 3k42 h GLN 19 Cb 0.73 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 3k42 h GLN 19 CO 0.05 0.53 -0.59 -0.07 -0.67 0.00 0.00 178.83 178.09 3k42 h LEU 20 N 0.00 0.37 -0.25 1.46 3.38 -1.31 -2.01 115.31 116.94 3k42 h LEU 20 Ca -0.01 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.66 3k42 h LEU 20 Cb 1.00 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 3k42 h LEU 20 CO 0.07 0.87 -0.23 0.00 0.09 0.00 0.00 178.44 179.25 3k42 h ALA 21 N 1.13 0.36 -0.87 1.53 0.00 -0.98 -2.54 119.26 117.90 3k42 h ALA 21 Ca -0.00 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.58 3k42 h ALA 21 Cb 1.10 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 3k42 h ALA 21 CO 0.10 0.32 0.57 -0.07 0.00 0.00 0.00 179.25 180.17 3k42 h LEU 22 N 0.31 0.92 -0.76 0.00 3.38 -1.23 -0.27 115.31 117.67 3k42 h LEU 22 Ca 0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3k42 h LEU 22 Cb 0.78 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 3k42 h LEU 22 CO 0.06 0.63 0.39 -0.07 0.09 0.00 0.00 178.44 179.53 3k42 h LEU 23 N 1.06 0.97 -0.54 1.67 4.07 -1.17 -1.70 115.31 119.67 3k42 h LEU 23 Ca 0.35 -0.12 -0.09 0.00 0.08 0.00 0.00 57.88 58.11 3k42 h LEU 23 Cb 0.05 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.53 3k42 h LEU 23 CO -0.11 0.81 0.00 0.11 -1.08 0.00 0.00 178.44 178.17 3k42 h LYS 24 N 1.05 0.95 0.00 1.13 1.57 -0.89 -2.24 116.57 118.14 3k42 h LYS 24 Ca 0.26 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3k42 h LYS 24 Cb 0.08 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 3k42 h LYS 24 CO -0.04 0.96 -0.01 -0.09 -0.57 0.00 0.00 179.45 179.71 3k42 h ARG 25 N 0.83 0.00 -0.02 3.15 2.43 -0.58 -1.82 114.38 118.37 3k42 h ARG 25 Ca 0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3k42 h ARG 25 Cb 0.53 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 3k42 h ARG 25 CO 0.03 0.01 -0.06 1.28 -1.51 0.00 0.00 179.97 179.72 3k42 n LEU 26 N -3.86 2.23 -0.30 3.80 4.32 -0.69 -4.51 117.00 117.99 3k42 n LEU 26 Ca -0.03 -0.74 0.20 0.00 -0.02 0.00 0.00 56.01 55.42 3k42 n LEU 26 Cb 0.09 -0.01 0.48 0.00 -1.62 0.00 0.00 43.42 42.36 3k42 n LEU 26 CO 0.28 0.38 1.22 0.71 -1.22 0.00 0.00 177.39 178.75 3k42 h THR 27 N 3.41 0.60 0.00 -5.08 1.35 -1.02 -0.54 112.91 111.64 3k42 h THR 27 Ca 0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 3k42 h THR 27 Cb 0.76 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.28 3k42 h THR 27 CO 0.00 0.08 0.14 -0.65 -0.25 0.00 0.00 175.52 174.85 3k42 h PRO 28 N 0.46 0.00 0.00 4.72 0.11 -1.81 -0.56 132.00 134.92 3k42 h PRO 28 Ca 0.55 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.66 3k42 h PRO 28 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3k42 h PRO 28 CO -0.28 0.00 -0.98 1.28 -0.21 0.00 0.00 178.00 177.82 3k42 n LEU 29 N -2.96 0.72 -0.33 2.35 4.77 -0.21 -4.32 117.00 117.01 3k42 n LEU 29 Ca -0.03 0.21 0.21 0.00 -0.03 0.00 0.00 56.01 56.38 3k42 n LEU 29 Cb 0.20 -0.09 0.47 0.00 -2.33 0.00 0.00 43.42 41.67 3k42 n LEU 29 CO 0.17 -0.10 1.21 -0.26 -1.33 0.00 0.00 177.39 177.08 3k42 h PHE 30 N 0.00 0.75 0.00 -1.77 -1.00 -1.16 0.71 116.94 114.47 3k42 h PHE 30 Ca 0.00 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.81 3k42 h PHE 30 Cb 0.88 -0.22 0.00 0.00 3.61 0.00 0.00 35.95 40.22 3k42 h PHE 30 CO 0.00 0.07 -0.27 1.96 -1.61 0.00 0.00 178.31 178.46 3k42 h GLN 31 N 0.45 0.00 -7.21 1.51 7.50 -1.75 -3.43 115.11 112.18 3k42 h GLN 31 Ca 0.60 0.00 -0.50 0.00 0.50 0.00 0.00 58.65 59.25 3k42 h GLN 31 Cb 1.41 0.00 0.05 0.00 0.05 0.00 0.00 27.48 28.99 3k42 h GLN 31 CO -0.34 0.00 0.31 0.15 -1.50 0.00 0.00 178.83 177.46 3k42 s LYS 32 N -3.14 3.58 -0.07 1.46 1.02 0.24 -5.08 119.74 117.75 3k42 s LYS 32 Ca 0.08 0.56 0.05 0.00 0.02 0.00 0.00 55.97 56.68 3k42 s LYS 32 Cb 0.12 -2.18 -0.00 0.00 -0.52 0.00 0.00 37.83 35.24 3k42 s LYS 32 CO 0.66 -0.44 -0.23 0.45 -0.92 0.00 0.00 175.35 174.87 3k42 s SER 33 N -4.15 2.85 -0.04 2.83 0.15 -1.26 -4.69 113.70 109.39 3k42 s SER 33 Ca 0.52 -0.49 0.06 0.00 0.70 0.00 0.00 55.95 56.75 3k42 s SER 33 Cb -0.11 -0.97 -0.02 0.00 -1.71 0.00 0.00 66.02 63.21 3k42 s SER 33 CO 0.51 0.19 -0.22 -0.36 1.20 0.00 0.00 173.24 174.56 3k42 s PHE 34 N 0.07 2.48 -0.01 3.44 0.40 -0.82 -5.02 117.98 118.51 3k42 s PHE 34 Ca -0.09 -0.41 -0.18 0.00 -0.60 0.00 0.00 56.93 55.66 3k42 s PHE 34 Cb -0.15 -1.57 0.03 0.00 0.51 0.00 0.00 43.02 41.85 3k42 s PHE 34 CO 0.05 -0.01 0.38 -2.00 0.70 0.00 0.00 175.22 174.35 3k42 s GLU 35 N -0.54 0.77 -0.26 0.44 -6.30 -1.26 -0.89 118.70 110.66 3k42 s GLU 35 Ca 0.08 -0.14 -0.17 0.00 -2.50 0.00 0.00 54.97 52.24 3k42 s GLU 35 Cb -0.11 0.34 0.08 0.00 0.00 0.00 0.00 34.13 34.44 3k42 s GLU 35 CO 0.00 -0.22 0.66 0.45 0.02 0.00 0.00 175.26 176.17 3k42 s SER 36 N -1.40 -0.86 -0.12 -1.70 0.15 -0.60 -4.78 113.70 104.38 3k42 s SER 36 Ca -0.12 1.42 -0.03 0.00 0.70 0.00 0.00 55.95 57.92 3k42 s SER 36 Cb -0.04 1.32 -0.03 0.00 -1.71 0.00 0.00 66.02 65.56 3k42 s SER 36 CO 0.04 -0.23 0.00 -0.89 1.20 0.00 0.00 173.24 173.36 3k42 s THR 37 N 1.40 4.29 0.12 6.45 2.01 -1.26 -0.59 115.64 128.06 3k42 s THR 37 Ca -0.08 -0.24 0.04 0.00 0.31 0.00 0.00 61.69 61.72 3k42 s THR 37 Cb -0.05 -2.85 -0.04 0.00 0.01 0.00 0.00 72.50 69.57 3k42 s THR 37 CO -0.16 0.55 -0.10 0.68 -0.69 0.00 0.00 174.62 174.91 3k42 s VAL 38 N -0.35 1.03 0.00 3.82 -7.23 0.34 -4.97 120.40 113.04 3k42 s VAL 38 Ca 0.07 -1.92 0.00 0.00 -1.81 0.00 0.00 61.98 58.32 3k42 s VAL 38 Cb -0.12 -1.69 0.00 0.00 0.56 0.00 0.00 36.38 35.13 3k42 s VAL 38 CO 0.02 -0.71 0.00 0.61 -0.31 0.00 0.00 175.10 174.71 3k42 n GLY 39 N 0.04 0.70 3.47 2.32 0.00 -1.26 0.31 105.19 110.77 3k42 n GLY 39 Ca -0.12 -1.81 -0.30 0.00 0.00 0.00 0.00 46.02 43.79 3k42 n GLY 39 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3k42 s GLN 40 N -2.62 1.99 0.26 1.61 0.00 -1.26 -4.56 119.66 115.07 3k42 s GLN 40 Ca 0.00 -1.04 -0.28 0.00 -0.00 0.00 0.00 55.36 54.04 3k42 s GLN 40 Cb 0.00 -2.17 -0.15 0.00 0.00 0.00 0.00 33.01 30.69 3k42 s GLN 40 CO 0.00 0.52 0.85 0.43 0.00 0.00 0.00 175.29 177.09 3k42 n SER 41 N 1.32 0.44 -1.72 12.60 7.64 -1.26 -0.88 113.62 131.77 3k42 n SER 41 Ca -0.16 1.16 0.07 0.00 1.01 0.00 0.00 58.87 60.95 3k42 n SER 41 Cb 0.52 -1.17 0.36 0.00 -1.01 0.00 0.00 64.21 62.91 3k42 n SER 41 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3k42 n PRO 42 N 0.84 4.38 -1.39 1.43 -0.04 -1.26 -4.91 135.00 134.05 3k42 n PRO 42 Ca 0.13 -2.81 -0.28 0.00 -0.04 0.00 0.00 63.50 60.49 3k42 n PRO 42 Cb 0.29 -2.15 0.10 0.00 -0.04 0.00 0.00 33.50 31.71 3k42 n PRO 42 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3k42 n ASP 43 N 0.63 6.08 -4.79 3.54 9.92 -0.06 -4.59 116.55 127.28 3k42 n ASP 43 Ca 0.25 -3.75 -0.36 0.00 -0.53 0.00 0.00 54.79 50.39 3k42 n ASP 43 Cb 1.07 -0.81 -0.07 0.00 -0.64 0.00 0.00 41.12 40.67 3k42 n ASP 43 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 3k42 s MET 44 N -3.65 4.52 0.10 -1.24 -1.94 -1.23 -4.34 119.30 111.52 3k42 s MET 44 Ca 0.59 1.30 0.09 0.00 -1.71 0.00 0.00 55.69 55.96 3k42 s MET 44 Cb 0.48 -2.69 -0.04 0.00 2.01 0.00 0.00 34.83 34.59 3k42 s MET 44 CO 0.02 0.22 -0.23 0.71 -0.01 0.00 0.00 175.02 175.73 3k42 s TYR 45 N -1.71 1.94 -0.15 -0.03 1.51 0.15 -2.50 117.35 116.56 3k42 s TYR 45 Ca 0.52 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 56.20 3k42 s TYR 45 Cb -0.17 -1.07 0.01 0.00 -0.11 0.00 0.00 41.96 40.62 3k42 s TYR 45 CO 0.22 0.23 -0.20 0.45 -1.11 0.00 0.00 175.55 175.13 3k42 s SER 46 N -1.86 3.02 -0.24 2.29 0.15 0.20 -0.50 113.70 116.76 3k42 s SER 46 Ca 0.09 -0.59 -0.09 0.00 0.70 0.00 0.00 55.95 56.05 3k42 s SER 46 Cb -0.10 -1.40 -0.04 0.00 -1.71 0.00 0.00 66.02 62.77 3k42 s SER 46 CO 0.04 0.04 0.13 -0.31 1.20 0.00 0.00 173.24 174.35 3k42 s TYR 47 N 0.99 3.25 -0.15 3.44 1.51 0.24 0.27 117.35 126.91 3k42 s TYR 47 Ca -0.03 0.08 -0.00 0.00 -1.01 0.00 0.00 57.07 56.10 3k42 s TYR 47 Cb -0.15 -2.25 -0.01 0.00 -0.11 0.00 0.00 41.96 39.45 3k42 s TYR 47 CO -0.05 -0.02 -0.14 0.08 -1.11 0.00 0.00 175.55 174.31 3k42 s VAL 48 N 1.12 2.88 -0.02 0.71 1.01 -0.35 -1.57 120.40 124.19 3k42 s VAL 48 Ca 0.06 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.39 3k42 s VAL 48 Cb -0.14 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 3k42 s VAL 48 CO 0.05 0.51 -0.17 0.12 0.00 0.00 0.00 175.10 175.60 3k42 s PHE 49 N 0.67 1.59 0.00 5.22 5.36 -0.06 -0.86 117.98 129.90 3k42 s PHE 49 Ca -0.07 -0.34 -0.01 0.00 -0.96 0.00 0.00 56.93 55.55 3k42 s PHE 49 Cb -0.16 -1.04 -0.01 0.00 -0.34 0.00 0.00 43.02 41.48 3k42 s PHE 49 CO 0.02 -0.06 0.00 1.03 -1.46 0.00 0.00 175.22 174.75 3k42 s ARG 50 N -0.29 0.14 -0.49 10.12 0.52 -0.27 -1.93 118.95 126.74 3k42 s ARG 50 Ca 0.04 -0.22 -0.21 0.00 -0.52 0.00 0.00 55.73 54.82 3k42 s ARG 50 Cb -0.08 0.05 0.04 0.00 0.52 0.00 0.00 34.95 35.48 3k42 s ARG 50 CO 0.00 -0.02 0.69 0.08 0.02 0.00 0.00 175.30 176.07 3k42 s VAL 51 N -0.57 4.77 -1.72 3.52 1.01 -1.26 -4.29 120.40 121.84 3k42 s VAL 51 Ca -0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 3k42 s VAL 51 Cb -0.04 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 32.04 3k42 s VAL 51 CO -0.00 -0.78 0.18 0.00 0.00 0.00 0.00 175.10 174.50 3k42 s ARG 53 N -5.24 1.11 0.16 0.00 1.81 -1.26 -4.37 118.95 111.16 3k42 s ARG 53 Ca 0.09 -1.18 -0.30 0.00 -1.72 0.00 0.00 55.73 52.62 3k42 s ARG 53 Cb -0.04 0.36 -0.07 0.00 -0.45 0.00 0.00 34.95 34.75 3k42 s ARG 53 CO 0.11 -0.40 1.09 -1.21 -0.68 0.00 0.00 175.30 174.21 3k42 s GLU 54 N -3.97 4.59 -0.15 3.54 2.02 -1.26 -4.48 118.70 119.00 3k42 s GLU 54 Ca 0.17 1.69 -0.20 0.00 0.02 0.00 0.00 54.97 56.65 3k42 s GLU 54 Cb 0.04 -3.30 -0.17 0.00 0.10 0.00 0.00 34.13 30.80 3k42 s GLU 54 CO -0.01 0.07 0.38 0.00 0.02 0.00 0.00 175.26 175.72 3k42 h ALA 55 N 5.30 0.07 -3.00 5.21 0.00 -0.88 -3.47 119.26 122.49 3k42 h ALA 55 Ca -0.44 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 53.88 3k42 h ALA 55 Cb 1.21 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3k42 h ALA 55 CO 0.73 0.24 0.00 0.41 0.00 0.00 0.00 179.25 180.63 3k42 n GLY 56 N 1.60 1.19 0.00 0.00 0.00 -1.26 -4.86 105.19 101.85 3k42 n GLY 56 Ca -0.14 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.32 3k42 n GLY 56 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k42 n GLN 57 N 0.00 0.93 -1.81 1.61 1.13 -1.26 -4.78 117.38 113.19 3k42 n GLN 57 Ca 0.00 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 55.07 3k42 n GLN 57 Cb 0.00 -0.93 0.05 0.00 0.11 0.00 0.00 30.24 29.48 3k42 n GLN 57 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3k42 n HIS 58 N -1.38 0.55 -3.55 1.08 8.25 -1.26 -4.99 115.22 113.92 3k42 n HIS 58 Ca 0.00 -1.21 -0.28 0.00 -0.26 0.00 0.00 57.72 55.97 3k42 n HIS 58 Cb 0.00 -0.20 -0.12 0.00 1.12 0.00 0.00 29.99 30.80 3k42 n HIS 58 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3k42 s SER 59 N -2.78 2.80 0.13 0.41 0.01 -1.26 -5.04 113.70 107.97 3k42 s SER 59 Ca 0.34 -2.80 -0.35 0.00 1.31 0.00 0.00 55.95 54.45 3k42 s SER 59 Cb 0.37 -0.71 -0.15 0.00 0.21 0.00 0.00 66.02 65.74 3k42 s SER 59 CO -0.11 -0.22 1.45 -1.20 0.41 0.00 0.00 173.24 173.57 3k42 n SER 60 N 3.26 2.39 0.00 2.44 7.64 -1.26 -1.61 113.62 126.48 3k42 n SER 60 Ca 0.18 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.17 3k42 n SER 60 Cb 0.40 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 3k42 n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k42 n GLY 61 N 2.93 0.33 3.71 0.23 0.00 -1.26 -4.98 105.19 106.15 3k42 n GLY 61 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3k42 n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k42 s ALA 62 N -1.83 3.22 -0.13 4.61 0.00 -0.63 -2.41 121.76 124.59 3k42 s ALA 62 Ca 0.00 0.62 0.18 0.00 0.00 0.00 0.00 51.96 52.76 3k42 s ALA 62 Cb 0.00 -3.37 -0.20 0.00 0.00 0.00 0.00 23.12 19.55 3k42 s ALA 62 CO 0.00 -0.28 0.57 0.41 0.00 0.00 0.00 175.76 176.46 3k42 n GLY 63 N 2.98 -1.11 3.15 0.00 0.00 0.15 -0.32 105.19 110.03 3k42 n GLY 63 Ca 0.07 -0.26 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 3k42 n GLY 63 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k42 s LEU 64 N -5.45 -0.10 0.07 0.99 0.20 -1.01 -1.12 118.68 112.27 3k42 s LEU 64 Ca -0.06 0.74 0.07 0.00 0.69 0.00 0.00 54.13 55.57 3k42 s LEU 64 Cb 0.09 1.03 -0.03 0.00 -0.43 0.00 0.00 46.19 46.86 3k42 s LEU 64 CO 0.84 -0.20 -0.18 0.68 -0.29 0.00 0.00 176.35 177.19 3k42 s VAL 65 N 1.81 1.45 -0.26 1.68 -7.23 -0.04 -1.18 120.40 116.63 3k42 s VAL 65 Ca -0.06 -1.34 -0.09 0.00 -1.81 0.00 0.00 61.98 58.68 3k42 s VAL 65 Cb -0.10 -1.33 -0.04 0.00 0.56 0.00 0.00 36.38 35.47 3k42 s VAL 65 CO -0.11 -0.05 0.14 -1.58 -0.31 0.00 0.00 175.10 173.19 3k42 s GLN 66 N -1.62 3.87 -0.19 4.82 0.74 0.16 -1.21 119.66 126.24 3k42 s GLN 66 Ca 0.04 -0.36 -0.03 0.00 0.05 0.00 0.00 55.36 55.05 3k42 s GLN 66 Cb -0.09 -3.50 -0.02 0.00 1.10 0.00 0.00 33.01 30.50 3k42 s GLN 66 CO 0.03 -0.11 -0.05 0.42 -0.55 0.00 0.00 175.29 175.03 3k42 s ILE 67 N 1.51 3.53 -0.34 -2.34 1.01 0.14 -0.75 121.20 123.95 3k42 s ILE 67 Ca 0.07 -0.46 -0.29 0.00 0.00 0.00 0.00 60.65 59.97 3k42 s ILE 67 Cb -0.15 -2.57 0.00 0.00 0.01 0.00 0.00 42.46 39.75 3k42 s ILE 67 CO 0.07 0.45 1.42 -1.58 0.00 0.00 0.00 174.94 175.30 3k42 s GLN 68 N 1.00 3.71 0.59 2.79 0.74 -0.29 -0.63 119.66 127.57 3k42 s GLN 68 Ca 0.00 1.16 0.36 0.00 0.05 0.00 0.00 55.36 56.93 3k42 s GLN 68 Cb -0.15 -3.98 1.82 0.00 1.10 0.00 0.00 33.01 31.80 3k42 s GLN 68 CO 0.00 -1.39 2.17 0.87 -0.55 0.00 0.00 175.29 176.39 3k42 h LYS 69 N 10.33 0.00 -0.40 1.67 1.57 -1.83 0.93 116.57 128.85 3k42 h LYS 69 Ca -0.28 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.43 3k42 h LYS 69 Cb 1.11 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 3k42 h LYS 69 CO 1.05 0.04 -0.03 0.66 -0.57 0.00 0.00 179.45 180.60 3k42 h SER 70 N 0.00 0.71 0.00 0.86 4.64 -1.81 -3.38 113.55 114.57 3k42 h SER 70 Ca -0.00 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3k42 h SER 70 Cb 0.25 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3k42 h SER 70 CO 0.00 0.86 0.00 -0.46 -0.87 0.00 0.00 176.83 176.37 3k42 n ASN 71 N -4.42 0.51 0.00 4.97 0.23 -1.12 -5.02 115.26 110.41 3k42 n ASN 71 Ca -0.01 -1.18 0.00 0.00 -0.53 0.00 0.00 54.58 52.86 3k42 n ASN 71 Cb 0.31 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.01 3k42 n ASN 71 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3k42 n GLY 72 N -0.09 0.63 3.68 4.83 0.00 0.32 -4.97 105.19 109.59 3k42 n GLY 72 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 3k42 n GLY 72 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3k42 n LYS 73 N -2.08 2.34 -3.84 1.61 4.81 -1.23 -4.56 118.16 115.21 3k42 n LYS 73 Ca 0.00 0.85 -0.35 0.00 -0.87 0.00 0.00 58.31 57.93 3k42 n LYS 73 Cb 0.04 -2.67 -0.08 0.00 0.02 0.00 0.00 35.03 32.35 3k42 n LYS 73 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3k42 s GLU 74 N 2.05 3.92 -0.19 1.64 2.02 -1.26 -1.14 118.70 125.74 3k42 s GLU 74 Ca 0.82 -0.23 0.01 0.00 0.02 0.00 0.00 54.97 55.59 3k42 s GLU 74 Cb -0.63 -3.30 0.02 0.00 0.10 0.00 0.00 34.13 30.32 3k42 s GLU 74 CO 0.41 0.43 -0.18 0.99 0.02 0.00 0.00 175.26 176.92 3k42 s THR 75 N -0.02 2.17 -0.07 3.63 2.01 0.07 -4.97 115.64 118.45 3k42 s THR 75 Ca 0.09 -0.99 -0.30 0.00 0.31 0.00 0.00 61.69 60.80 3k42 s THR 75 Cb -0.11 -1.96 -0.03 0.00 0.01 0.00 0.00 72.50 70.40 3k42 s THR 75 CO -0.00 0.47 1.29 -0.69 -0.69 0.00 0.00 174.62 175.00 3k42 s VAL 76 N 1.28 4.10 -0.15 3.82 1.01 -1.26 -0.66 120.40 128.53 3k42 s VAL 76 Ca 0.03 1.41 0.07 0.00 0.00 0.00 0.00 61.98 63.49 3k42 s VAL 76 Cb -0.14 -3.91 -0.23 0.00 0.00 0.00 0.00 36.38 32.11 3k42 s VAL 76 CO -0.11 -0.05 0.24 0.52 0.00 0.00 0.00 175.10 175.70 3k42 n VAL 77 N 4.90 1.56 -3.52 2.92 0.31 -0.33 -0.41 118.33 123.77 3k42 n VAL 77 Ca 0.13 -0.73 -0.18 0.00 -0.01 0.00 0.00 64.34 63.54 3k42 n VAL 77 Cb 0.45 -1.12 -0.06 0.00 -0.91 0.00 0.00 33.84 32.20 3k42 n VAL 77 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3k42 s GLY 78 N -5.62 -0.58 -0.08 2.92 0.00 -1.10 -2.50 107.32 100.36 3k42 s GLY 78 Ca -0.17 1.34 0.01 0.00 0.00 0.00 0.00 44.72 45.90 3k42 s GLY 78 CO 0.77 0.98 -0.10 0.50 0.00 0.00 0.00 173.10 175.24 3k42 s ARG 79 N -1.15 2.90 0.00 2.90 0.52 -0.14 0.29 118.95 124.27 3k42 s ARG 79 Ca -0.11 -0.63 0.08 0.00 -0.52 0.00 0.00 55.73 54.56 3k42 s ARG 79 Cb -0.00 -2.56 0.48 0.00 0.52 0.00 0.00 34.95 33.39 3k42 s ARG 79 CO 0.10 0.51 1.12 1.97 0.02 0.00 0.00 175.30 179.01 3k42 n PHE 80 N 2.67 0.00 0.78 -0.53 1.16 -1.01 -2.32 117.46 118.21 3k42 n PHE 80 Ca -0.18 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.52 3k42 n PHE 80 Cb 0.53 0.00 0.25 0.00 -1.61 0.00 0.00 39.48 38.64 3k42 n PHE 80 CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 3k42 n ASN 81 N -0.67 2.80 -3.20 5.98 6.94 -1.26 -0.82 115.26 125.04 3k42 n ASN 81 Ca 0.06 -1.89 -0.23 0.00 -0.02 0.00 0.00 54.58 52.50 3k42 n ASN 81 Cb 0.03 -0.14 -0.06 0.00 -2.36 0.00 0.00 39.78 37.25 3k42 n ASN 81 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3k42 n GLU 82 N 1.10 0.98 -3.96 -3.83 1.02 -0.98 -4.42 120.64 110.55 3k42 n GLU 82 Ca 0.17 -3.41 -0.33 0.00 -0.02 0.00 0.00 57.16 53.57 3k42 n GLU 82 Cb 0.53 -1.43 -0.05 0.00 -0.02 0.00 0.00 31.44 30.47 3k42 n GLU 82 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3k42 s THR 83 N -1.63 5.20 0.01 2.62 2.01 -0.16 -1.45 115.64 122.24 3k42 s THR 83 Ca 0.37 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.06 3k42 s THR 83 Cb 0.21 -3.45 -0.01 0.00 0.01 0.00 0.00 72.50 69.26 3k42 s THR 83 CO -0.10 0.28 -0.02 -1.10 -0.69 0.00 0.00 174.62 172.99 3k42 s GLN 84 N -2.05 0.14 -0.11 4.92 -0.21 -0.45 -0.75 119.66 121.15 3k42 s GLN 84 Ca 0.28 -0.23 -0.08 0.00 0.02 0.00 0.00 55.36 55.35 3k42 s GLN 84 Cb -0.13 0.00 0.04 0.00 1.00 0.00 0.00 33.01 33.92 3k42 s GLN 84 CO 0.20 -0.01 0.28 -1.50 -2.12 0.00 0.00 175.29 172.14 3k42 s ILE 85 N -0.52 -0.02 0.03 1.08 2.07 -1.26 -0.66 121.20 121.92 3k42 s ILE 85 Ca -0.05 0.06 0.02 0.00 -1.41 0.00 0.00 60.65 59.27 3k42 s ILE 85 Cb -0.04 -0.41 -0.02 0.00 0.13 0.00 0.00 42.46 42.12 3k42 s ILE 85 CO -0.00 0.02 -0.08 -0.36 -1.91 0.00 0.00 174.94 172.61 3k42 s PHE 86 N 0.66 0.70 -0.12 3.50 0.40 -0.32 -4.79 117.98 118.01 3k42 s PHE 86 Ca -0.04 -0.38 0.03 0.00 -0.60 0.00 0.00 56.93 55.94 3k42 s PHE 86 Cb -0.05 -0.42 0.00 0.00 0.51 0.00 0.00 43.02 43.06 3k42 s PHE 86 CO -0.04 -0.05 -0.22 -1.14 0.70 0.00 0.00 175.22 174.47 3k42 s GLN 87 N -1.17 3.07 0.06 0.44 0.74 -1.26 0.39 119.66 121.93 3k42 s GLN 87 Ca -0.05 -0.85 0.01 0.00 0.05 0.00 0.00 55.36 54.51 3k42 s GLN 87 Cb -0.08 -2.38 0.01 0.00 1.10 0.00 0.00 33.01 31.65 3k42 s GLN 87 CO 0.00 0.11 0.05 0.41 -0.55 0.00 0.00 175.29 175.31 3k42 n GLY 88 N 3.72 2.90 3.48 2.59 0.00 0.10 -5.00 105.19 112.98 3k42 n GLY 88 Ca -0.19 -2.18 -0.43 0.00 0.00 0.00 0.00 46.02 43.22 3k42 n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k42 s SER 89 N -1.35 6.21 -0.16 1.61 1.04 -1.26 -4.00 113.70 115.80 3k42 s SER 89 Ca 0.04 -0.80 -0.01 0.00 0.48 0.00 0.00 55.95 55.66 3k42 s SER 89 Cb -0.00 -2.43 -0.01 0.00 0.10 0.00 0.00 66.02 63.68 3k42 s SER 89 CO 0.02 -1.41 0.14 -0.46 0.98 0.00 0.00 173.24 172.51 3k42 n ASN 90 N 7.75 -2.44 0.00 7.02 6.94 -1.25 -5.06 115.26 128.21 3k42 n ASN 90 Ca -0.02 -0.10 0.00 0.00 -0.02 0.00 0.00 54.58 54.44 3k42 n ASN 90 Cb 0.46 -1.17 0.00 0.00 -2.36 0.00 0.00 39.78 36.71 3k42 n ASN 90 CO 0.00 0.00 0.00 -2.67 -1.03 0.00 0.00 177.26 173.56 3k42 n TRP 91 N -1.65 0.00 -5.01 -2.53 4.27 -1.02 -3.55 117.44 107.95 3k42 n TRP 91 Ca -0.02 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.30 3k42 n TRP 91 Cb 0.52 0.00 -0.17 0.00 -1.36 0.00 0.00 31.31 30.30 3k42 n TRP 91 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 3k42 s ILE 92 N -0.96 1.75 -0.20 -1.67 1.01 0.43 0.02 121.20 121.58 3k42 s ILE 92 Ca 0.00 -0.84 -0.07 0.00 0.00 0.00 0.00 60.65 59.73 3k42 s ILE 92 Cb 0.00 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 3k42 s ILE 92 CO 0.00 0.49 0.06 -0.32 0.00 0.00 0.00 174.94 175.17 3k42 s MET 93 N 0.38 3.85 -0.13 2.79 -2.45 0.16 -0.61 119.30 123.29 3k42 s MET 93 Ca -0.16 -0.40 -0.00 0.00 -1.25 0.00 0.00 55.69 53.88 3k42 s MET 93 Cb -0.17 -3.22 -0.01 0.00 1.25 0.00 0.00 34.83 32.68 3k42 s MET 93 CO 0.07 0.12 -0.13 -1.17 1.05 0.00 0.00 175.02 174.96 3k42 s LEU 94 N 0.77 2.70 -0.05 4.11 2.96 -0.35 -1.18 118.68 127.64 3k42 s LEU 94 Ca 0.03 -0.34 0.05 0.00 -0.22 0.00 0.00 54.13 53.65 3k42 s LEU 94 Cb -0.14 -1.61 -0.00 0.00 0.50 0.00 0.00 46.19 44.94 3k42 s LEU 94 CO 0.02 0.16 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.38 3k42 s ILE 95 N 0.38 1.68 -0.12 6.68 1.01 0.16 -0.08 121.20 130.91 3k42 s ILE 95 Ca -0.11 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.71 3k42 s ILE 95 Cb -0.16 -1.44 0.01 0.00 0.01 0.00 0.00 42.46 40.89 3k42 s ILE 95 CO 0.05 0.47 -0.17 -0.31 0.00 0.00 0.00 174.94 174.99 3k42 s TYR 96 N 0.04 2.21 0.19 3.97 4.12 0.31 -1.34 117.35 126.85 3k42 s TYR 96 Ca -0.06 -1.09 0.01 0.00 0.02 0.00 0.00 57.07 55.95 3k42 s TYR 96 Cb -0.13 -1.56 0.01 0.00 -1.52 0.00 0.00 41.96 38.76 3k42 s TYR 96 CO 0.03 -0.54 0.11 1.63 0.02 0.00 0.00 175.55 176.80 3k42 n LYS 97 N 4.24 1.29 -2.57 -0.62 5.02 -0.53 0.24 118.16 125.24 3k42 n LYS 97 Ca -0.19 -1.21 -0.13 0.00 -2.02 0.00 0.00 58.31 54.76 3k42 n LYS 97 Cb 0.51 0.18 0.01 0.00 -0.02 0.00 0.00 35.03 35.71 3k42 n LYS 97 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k42 n GLY 98 N 2.75 -0.07 3.10 0.72 0.00 -1.23 -0.96 105.19 109.50 3k42 n GLY 98 Ca -0.02 -0.28 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 3k42 n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k42 n GLY 99 N -1.15 -0.79 3.73 -0.02 0.00 -0.40 -4.52 105.19 102.04 3k42 n GLY 99 Ca -0.09 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 3k42 n GLY 99 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k42 s ASP 100 N -4.70 6.60 0.49 1.61 1.01 0.45 -3.35 116.67 118.77 3k42 s ASP 100 Ca 0.58 2.67 -0.21 0.00 0.71 0.00 0.00 52.55 56.30 3k42 s ASP 100 Cb -0.02 -2.61 -0.07 0.00 1.01 0.00 0.00 42.92 41.23 3k42 s ASP 100 CO 0.40 -0.78 1.12 -1.83 0.21 0.00 0.00 175.17 174.29 3k42 s GLU 101 N 0.31 3.67 0.68 8.23 1.03 -1.26 -2.44 118.70 128.92 3k42 s GLU 101 Ca 0.65 1.61 -0.17 0.00 0.03 0.00 0.00 54.97 57.09 3k42 s GLU 101 Cb -0.43 -2.22 0.01 0.00 -0.80 0.00 0.00 34.13 30.69 3k42 s GLU 101 CO 0.38 -0.59 1.25 0.71 -1.33 0.00 0.00 175.26 175.68 3k42 s TYR 102 N -1.72 2.08 -0.12 4.83 2.02 -0.62 -4.89 117.35 118.93 3k42 s TYR 102 Ca 0.67 1.54 -0.10 0.00 -0.37 0.00 0.00 57.07 58.81 3k42 s TYR 102 Cb -0.24 -3.58 -0.26 0.00 -0.40 0.00 0.00 41.96 37.48 3k42 s TYR 102 CO 0.28 -2.74 0.38 -0.44 -1.57 0.00 0.00 175.55 171.47 3k42 h ASP 103 N 0.21 0.38 0.00 2.29 3.32 -1.92 -3.37 116.42 117.32 3k42 h ASP 103 Ca -0.49 -0.89 -0.09 0.00 0.02 0.00 0.00 57.03 55.58 3k42 h ASP 103 Cb 1.32 -0.12 -0.19 0.00 0.22 0.00 0.00 39.33 40.56 3k42 h ASP 103 CO 0.52 1.79 -0.72 0.59 -1.72 0.00 0.00 179.24 179.70 3k42 n ASN 104 N -3.65 0.86 -4.03 6.45 3.02 -1.26 -4.81 115.26 111.84 3k42 n ASN 104 Ca -0.31 -2.30 -0.09 0.00 -0.03 0.00 0.00 54.58 51.85 3k42 n ASN 104 Cb 0.99 -0.30 -0.09 0.00 -0.61 0.00 0.00 39.78 39.77 3k42 n ASN 104 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3k42 s HIS 105 N -0.59 0.53 -1.33 3.10 3.76 -1.26 -4.91 115.29 114.58 3k42 s HIS 105 Ca 0.23 -0.96 -0.13 0.00 -0.15 0.00 0.00 55.06 54.05 3k42 s HIS 105 Cb 0.25 -0.28 0.11 0.00 1.11 0.00 0.00 32.58 33.77 3k42 s HIS 105 CO -0.09 -0.53 0.52 0.00 -0.85 0.00 0.00 174.74 173.80 3k42 n GLY 107 N -1.12 -0.52 2.64 0.00 0.00 -1.26 -1.62 105.19 103.31 3k42 n GLY 107 Ca 0.03 0.22 -0.11 0.00 0.00 0.00 0.00 46.02 46.16 3k42 n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k42 n ARG 108 N -4.73 -1.40 -2.24 1.61 3.00 -0.05 -4.89 116.66 107.95 3k42 n ARG 108 Ca -0.02 0.84 -0.41 0.00 -0.01 0.00 0.00 57.85 58.25 3k42 n ARG 108 Cb 0.57 -5.09 -0.03 0.00 0.00 0.00 0.00 32.46 27.92 3k42 n ARG 108 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 3k42 s GLU 109 N -2.76 4.44 0.21 5.56 2.12 -0.64 -3.32 118.70 124.31 3k42 s GLU 109 Ca 0.00 2.06 -0.32 0.00 0.36 0.00 0.00 54.97 57.06 3k42 s GLU 109 Cb 0.00 -3.15 -0.13 0.00 0.26 0.00 0.00 34.13 31.12 3k42 s GLU 109 CO 0.00 -0.11 1.61 1.04 -0.54 0.00 0.00 175.26 177.25 3k42 n GLN 110 N 1.57 2.44 -1.19 4.30 6.02 -1.26 -1.59 117.38 127.67 3k42 n GLN 110 Ca 0.02 0.88 -0.32 0.00 -0.01 0.00 0.00 57.00 57.57 3k42 n GLN 110 Cb 0.43 -2.66 0.11 0.00 1.02 0.00 0.00 30.24 29.14 3k42 n GLN 110 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3k42 s ARG 111 N 0.58 1.92 0.02 -1.09 0.52 -1.02 -4.71 118.95 115.17 3k42 s ARG 111 Ca 0.74 1.45 -0.00 0.00 -0.52 0.00 0.00 55.73 57.40 3k42 s ARG 111 Cb -0.58 -1.84 -0.02 0.00 0.52 0.00 0.00 34.95 33.03 3k42 s ARG 111 CO 0.39 -1.94 -0.03 1.03 0.02 0.00 0.00 175.30 174.77 3k42 s ARG 112 N -4.49 0.32 -0.14 3.54 0.52 -1.04 -1.27 118.95 116.39 3k42 s ARG 112 Ca 0.67 -0.63 0.02 0.00 -0.52 0.00 0.00 55.73 55.27 3k42 s ARG 112 Cb -0.22 0.11 0.01 0.00 0.52 0.00 0.00 34.95 35.37 3k42 s ARG 112 CO 0.52 -0.05 -0.21 0.00 0.02 0.00 0.00 175.30 175.57 3k42 s ALA 113 N -1.54 2.27 -0.18 2.13 0.00 0.14 -2.22 121.76 122.35 3k42 s ALA 113 Ca -0.15 -1.09 -0.01 0.00 0.00 0.00 0.00 51.96 50.70 3k42 s ALA 113 Cb -0.09 -1.02 -0.00 0.00 0.00 0.00 0.00 23.12 22.01 3k42 s ALA 113 CO -0.01 -0.04 -0.12 0.08 0.00 0.00 0.00 175.76 175.67 3k42 s VAL 114 N 0.83 2.81 -0.18 0.00 1.01 -0.18 -0.53 120.40 124.16 3k42 s VAL 114 Ca -0.07 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.22 3k42 s VAL 114 Cb -0.15 -2.22 0.03 0.00 0.00 0.00 0.00 36.38 34.03 3k42 s VAL 114 CO -0.02 0.49 -0.15 -0.69 0.00 0.00 0.00 175.10 174.73 3k42 s VAL 115 N 1.12 1.83 -0.50 2.92 1.01 0.89 0.15 120.40 127.81 3k42 s VAL 115 Ca 0.01 -0.95 -0.21 0.00 0.00 0.00 0.00 61.98 60.83 3k42 s VAL 115 Cb -0.14 -1.76 0.05 0.00 0.00 0.00 0.00 36.38 34.52 3k42 s VAL 115 CO -0.04 0.36 0.72 -0.04 0.00 0.00 0.00 175.10 176.10 3k42 s MET 116 N 1.35 3.22 -0.47 2.72 -1.94 0.13 -1.21 119.30 123.09 3k42 s MET 116 Ca 0.02 -0.59 -0.20 0.00 -1.71 0.00 0.00 55.69 53.21 3k42 s MET 116 Cb -0.15 -4.05 0.04 0.00 2.01 0.00 0.00 34.83 32.68 3k42 s MET 116 CO -0.10 -1.25 0.63 0.42 -0.01 0.00 0.00 175.02 174.71 3k42 s ILE 117 N 3.05 4.85 0.17 2.53 1.01 0.22 -1.50 121.20 131.53 3k42 s ILE 117 Ca 0.21 -0.18 -0.15 0.00 0.00 0.00 0.00 60.65 60.53 3k42 s ILE 117 Cb -0.16 -4.25 -0.07 0.00 0.01 0.00 0.00 42.46 37.99 3k42 s ILE 117 CO 0.16 -0.70 0.58 -0.44 0.00 0.00 0.00 174.94 174.54 3k42 s SER 118 N 2.32 6.84 0.20 3.58 0.01 0.16 -0.43 113.70 126.39 3k42 s SER 118 Ca 0.19 1.12 -0.31 0.00 1.31 0.00 0.00 55.95 58.26 3k42 s SER 118 Cb -0.16 -2.30 -0.10 0.00 0.21 0.00 0.00 66.02 63.66 3k42 s SER 118 CO 0.15 0.07 1.53 0.00 0.41 0.00 0.00 173.24 175.41 3k42 s ASN 120 N 0.84 1.29 0.00 0.00 3.84 -1.11 -4.79 114.94 115.00 3k42 s ASN 120 Ca 0.66 -0.52 0.12 0.00 0.21 0.00 0.00 52.86 53.33 3k42 s ASN 120 Cb -0.44 0.65 0.74 0.00 -0.55 0.00 0.00 41.25 41.65 3k42 s ASN 120 CO 0.37 -0.37 1.18 0.54 -2.79 0.00 0.00 177.10 176.03 3k42 n ARG 121 N 5.32 0.38 -0.24 0.43 1.74 -1.26 -2.42 116.66 120.62 3k42 n ARG 121 Ca -0.02 0.01 0.06 0.00 -0.77 0.00 0.00 57.85 57.13 3k42 n ARG 121 Cb 0.48 -1.50 0.17 0.00 -1.02 0.00 0.00 32.46 30.59 3k42 n ARG 121 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3k42 n HIS 122 N -1.01 0.54 -3.64 -1.55 8.25 -1.26 -4.96 115.22 111.60 3k42 n HIS 122 Ca 0.09 -0.64 -0.09 0.00 -0.26 0.00 0.00 57.72 56.82 3k42 n HIS 122 Cb 0.05 -0.12 -0.07 0.00 1.12 0.00 0.00 29.99 30.96 3k42 n HIS 122 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3k42 s THR 123 N -1.66 0.00 0.28 1.59 -1.32 -1.14 -5.02 115.64 108.37 3k42 s THR 123 Ca 0.27 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.84 3k42 s THR 123 Cb 0.18 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 70.16 3k42 s THR 123 CO 0.11 0.00 1.63 0.25 -2.21 0.00 0.00 174.62 174.41 3k42 h LEU 124 N 5.52 0.07 -7.00 9.08 5.85 -1.88 -0.08 115.31 126.87 3k42 h LEU 124 Ca -0.29 -0.04 0.13 0.00 0.84 0.00 0.00 57.88 58.52 3k42 h LEU 124 Cb 1.19 -0.02 -0.28 0.00 0.37 0.00 0.00 40.66 41.91 3k42 h LEU 124 CO 0.11 0.63 0.47 0.00 -0.34 0.00 0.00 178.44 179.31 3k42 s ALA 125 N -3.74 -2.32 -0.08 1.25 0.00 -1.25 -4.00 121.76 111.60 3k42 s ALA 125 Ca -0.02 2.13 -0.31 0.00 0.00 0.00 0.00 51.96 53.75 3k42 s ALA 125 Cb 0.13 -1.74 0.12 0.00 0.00 0.00 0.00 23.12 21.63 3k42 s ALA 125 CO 0.77 -0.33 1.39 0.34 0.00 0.00 0.00 175.76 177.93 3k42 s ASP 126 N 1.17 -0.00 -1.33 0.00 -1.08 -0.74 -5.00 116.67 109.68 3k42 s ASP 126 Ca -0.07 -0.03 -0.02 0.00 -0.52 0.00 0.00 52.55 51.90 3k42 s ASP 126 Cb -0.04 0.03 0.01 0.00 -1.46 0.00 0.00 42.92 41.47 3k42 s ASP 126 CO -0.13 -0.06 0.78 0.59 0.52 0.00 0.00 175.17 176.87 3k42 n ASN 127 N -0.79 -1.94 -4.76 -0.34 3.02 -1.26 -0.77 115.26 108.41 3k42 n ASN 127 Ca -0.01 -0.79 -0.40 0.00 -0.03 0.00 0.00 54.58 53.36 3k42 n ASN 127 Cb 0.61 -4.15 -0.05 0.00 -0.61 0.00 0.00 39.78 35.58 3k42 n ASN 127 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3k42 s PHE 128 N -3.58 3.82 -0.15 3.10 2.19 -1.26 -4.04 117.98 118.07 3k42 s PHE 128 Ca 0.12 1.56 -0.31 0.00 0.33 0.00 0.00 56.93 58.63 3k42 s PHE 128 Cb -0.06 -2.80 0.13 0.00 -1.31 0.00 0.00 43.02 38.98 3k42 s PHE 128 CO 0.81 0.38 1.07 0.54 1.83 0.00 0.00 175.22 179.85 3k42 s ASN 129 N -0.56 -0.27 0.55 6.13 4.22 -0.70 -4.54 114.94 119.77 3k42 s ASN 129 Ca 0.38 0.16 -0.17 0.00 -2.14 0.00 0.00 52.86 51.09 3k42 s ASN 129 Cb -0.22 0.25 -0.06 0.00 1.28 0.00 0.00 41.25 42.50 3k42 s ASN 129 CO 0.25 -0.34 1.03 -2.16 -2.04 0.00 0.00 177.10 173.84 3k42 s PRO 130 N -1.89 3.60 -0.22 3.55 0.04 -1.26 -1.51 135.00 137.31 3k42 s PRO 130 Ca 0.04 1.17 -0.04 0.00 0.04 0.00 0.00 61.00 62.21 3k42 s PRO 130 Cb -0.01 -2.08 -0.12 0.00 0.04 0.00 0.00 34.50 32.34 3k42 s PRO 130 CO -0.04 -0.57 -0.23 0.28 0.04 0.00 0.00 177.00 176.48 3k42 n VAL 131 N -1.65 1.22 -3.60 -0.36 0.31 0.17 -4.85 118.33 109.57 3k42 n VAL 131 Ca 0.08 -0.40 -0.13 0.00 -0.01 0.00 0.00 64.34 63.88 3k42 n VAL 131 Cb 0.53 -1.49 -0.06 0.00 -0.91 0.00 0.00 33.84 31.91 3k42 n VAL 131 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3k42 s SER 132 N -6.47 -0.58 -0.25 4.52 1.04 -1.05 -5.02 113.70 105.89 3k42 s SER 132 Ca -0.30 0.92 -0.05 0.00 0.48 0.00 0.00 55.95 57.01 3k42 s SER 132 Cb 0.09 0.87 0.00 0.00 0.10 0.00 0.00 66.02 67.09 3k42 s SER 132 CO 0.45 -0.33 0.00 -1.61 0.98 0.00 0.00 173.24 172.73 3k42 s GLU 133 N -0.32 3.19 0.00 4.02 8.01 -1.26 -1.83 118.70 130.51 3k42 s GLU 133 Ca -0.02 -0.77 0.00 0.00 0.01 0.00 0.00 54.97 54.19 3k42 s GLU 133 Cb -0.03 -3.15 0.00 0.00 -4.31 0.00 0.00 34.13 26.64 3k42 s GLU 133 CO 0.01 -0.32 0.00 0.00 0.01 0.00 0.00 175.26 174.96 3k42 s PHE 142 N -0.80 -0.21 -0.25 0.00 -0.12 -1.26 -4.66 117.98 110.68 3k42 s PHE 142 Ca 0.00 0.30 -0.15 0.00 -0.05 0.00 0.00 56.93 57.03 3k42 s PHE 142 Cb 0.00 0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 42.84 3k42 s PHE 142 CO 0.00 -0.23 0.36 0.71 -0.05 0.00 0.00 175.22 176.01 3k42 s TYR 143 N -1.53 3.28 -0.24 3.49 1.51 -0.94 -4.99 117.35 117.93 3k42 s TYR 143 Ca 0.05 0.44 -0.09 0.00 -1.01 0.00 0.00 57.07 56.45 3k42 s TYR 143 Cb -0.01 -2.54 -0.04 0.00 -0.11 0.00 0.00 41.96 39.26 3k42 s TYR 143 CO -0.04 -0.16 0.13 -1.17 -1.11 0.00 0.00 175.55 173.20 3k42 s LEU 144 N 1.82 3.91 0.34 -1.29 2.96 -0.76 -1.01 118.68 124.64 3k42 s LEU 144 Ca 0.15 0.02 0.04 0.00 -0.22 0.00 0.00 54.13 54.13 3k42 s LEU 144 Cb -0.15 -2.04 -0.07 0.00 0.50 0.00 0.00 46.19 44.43 3k42 s LEU 144 CO 0.09 0.05 0.05 -0.36 -1.32 0.00 0.00 176.35 174.86 3k42 s PHE 145 N 1.13 2.05 0.12 5.38 0.40 0.12 0.44 117.98 127.62 3k42 s PHE 145 Ca 0.06 -0.92 -0.10 0.00 -0.60 0.00 0.00 56.93 55.37 3k42 s PHE 145 Cb -0.14 -1.36 0.00 0.00 0.51 0.00 0.00 43.02 42.04 3k42 s PHE 145 CO 0.05 0.07 0.25 -1.83 0.70 0.00 0.00 175.22 174.46 3k42 s GLU 146 N -3.87 0.97 0.16 0.44 -1.05 -0.57 -0.70 118.70 114.09 3k42 s GLU 146 Ca 0.36 -0.97 -0.25 0.00 -0.15 0.00 0.00 54.97 53.97 3k42 s GLU 146 Cb 0.09 0.37 0.06 0.00 -0.44 0.00 0.00 34.13 34.21 3k42 s GLU 146 CO 0.16 -0.34 0.91 0.00 0.95 0.00 0.00 175.26 176.94 3k42 s MET 147 N -3.88 1.26 -0.00 -4.83 0.23 -0.56 -1.73 119.30 109.80 3k42 s MET 147 Ca 0.08 -0.68 0.04 0.00 -1.03 0.00 0.00 55.69 54.09 3k42 s MET 147 Cb 0.04 0.44 -0.03 0.00 -1.53 0.00 0.00 34.83 33.75 3k42 s MET 147 CO -0.08 -0.58 -0.09 -0.51 -2.03 0.00 0.00 175.02 171.73 3k42 s ASP 148 N -2.90 4.47 -0.28 -1.18 1.01 0.05 -0.67 116.67 117.16 3k42 s ASP 148 Ca 0.11 -0.18 -0.20 0.00 0.71 0.00 0.00 52.55 53.00 3k42 s ASP 148 Cb -0.02 -1.00 0.12 0.00 1.01 0.00 0.00 42.92 43.03 3k42 s ASP 148 CO 0.02 0.29 0.93 -0.55 0.21 0.00 0.00 175.17 176.07 3k42 s SER 149 N -1.32 -0.58 0.39 0.27 0.15 -0.26 -1.79 113.70 110.57 3k42 s SER 149 Ca 0.16 1.00 0.28 0.00 0.70 0.00 0.00 55.95 58.09 3k42 s SER 149 Cb -0.11 1.14 1.21 0.00 -1.71 0.00 0.00 66.02 66.55 3k42 s SER 149 CO 0.06 -0.16 1.85 0.77 1.20 0.00 0.00 173.24 176.95 3k42 h SER 150 N 5.47 0.00 0.58 5.45 4.64 -0.65 -2.20 113.55 126.85 3k42 h SER 150 Ca -0.29 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.02 3k42 h SER 150 Cb 1.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3k42 h SER 150 CO 0.15 0.00 -0.06 -0.07 -0.87 0.00 0.00 176.83 175.98 3k42 h LEU 151 N 0.00 0.00 -1.35 5.97 3.38 -1.84 -0.70 115.31 120.77 3k42 h LEU 151 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3k42 h LEU 151 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3k42 h LEU 151 CO 0.00 0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.59 3k42 n ALA 152 N -2.16 2.50 -2.49 1.53 0.00 -0.84 -4.86 120.51 114.19 3k42 n ALA 152 Ca -0.01 -0.61 -0.35 0.00 0.00 0.00 0.00 53.44 52.46 3k42 n ALA 152 Cb 0.24 -1.04 -0.06 0.00 0.00 0.00 0.00 19.45 18.59 3k42 n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50