#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cma s ARG 2 N 0.00 2.41 0.32 1.61 0.52 -0.23 -5.06 118.95 118.52 3cma s ARG 2 Ca 0.00 -1.09 -0.29 0.00 -0.52 0.00 0.00 55.73 53.82 3cma s ARG 2 Cb 0.00 -2.37 -0.11 0.00 0.52 0.00 0.00 34.95 32.99 3cma s ARG 2 CO 0.00 0.46 1.54 1.03 0.02 0.00 0.00 175.30 178.35 3cma s ARG 3 N -2.92 4.13 0.69 3.54 1.81 -1.26 -4.69 118.95 120.25 3cma s ARG 3 Ca 0.27 2.55 -0.11 0.00 -1.72 0.00 0.00 55.73 56.72 3cma s ARG 3 Cb -0.09 -3.01 0.00 0.00 -0.45 0.00 0.00 34.95 31.40 3cma s ARG 3 CO 0.19 -0.57 1.08 0.96 -0.68 0.00 0.00 175.30 176.27 3cma s ILE 4 N -0.45 3.72 0.28 1.52 -4.36 -1.26 -4.86 121.20 115.79 3cma s ILE 4 Ca 0.59 0.54 0.01 0.00 -0.26 0.00 0.00 60.65 61.53 3cma s ILE 4 Cb -0.47 -3.55 0.28 0.00 1.25 0.00 0.00 42.46 39.97 3cma s ILE 4 CO 0.53 -0.72 1.69 -0.61 0.24 0.00 0.00 174.94 176.06 3cma h GLN 5 N -0.58 0.33 -0.27 0.37 4.15 -1.94 0.87 115.11 118.04 3cma h GLN 5 Ca -0.45 -0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.03 3cma h GLN 5 Cb 1.24 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.85 3cma h GLN 5 CO 0.63 0.22 0.30 0.78 -1.93 0.00 0.00 178.83 178.83 3cma h GLY 6 N 0.34 0.00 1.16 2.39 0.00 -1.99 -0.75 103.07 104.22 3cma h GLY 6 Ca 0.52 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.59 3cma h GLY 6 CO -0.54 0.00 -1.52 1.46 0.00 0.00 0.00 176.54 175.93 3cma h GLN 7 N 0.00 0.00 -0.70 4.80 4.20 -1.19 -3.33 115.11 118.90 3cma h GLN 7 Ca 0.13 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 3cma h GLN 7 Cb 0.72 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.47 3cma h GLN 7 CO -0.00 0.53 0.32 0.00 -0.67 0.00 0.00 178.83 179.02 3cma h ARG 8 N 0.00 1.02 -0.27 1.46 -0.00 -0.91 -3.12 114.38 112.56 3cma h ARG 8 Ca -0.22 -0.16 0.04 0.00 -0.50 0.00 0.00 59.98 59.14 3cma h ARG 8 Cb 1.89 -0.18 -0.07 0.00 0.00 0.00 0.00 29.97 31.62 3cma h ARG 8 CO 0.08 0.81 -0.48 0.00 0.00 0.00 0.00 179.97 180.38 3cma h ARG 9 N 0.98 -0.39 -0.77 0.04 3.08 -1.56 -1.92 114.38 113.84 3cma h ARG 9 Ca 0.24 0.03 0.32 0.00 0.07 0.00 0.00 59.98 60.64 3cma h ARG 9 Cb 0.14 0.09 -0.14 0.00 0.08 0.00 0.00 29.97 30.14 3cma h ARG 9 CO -0.03 -0.26 0.40 0.41 -1.07 0.00 0.00 179.97 179.43 3cma n GLY 10 N -1.34 -0.59 0.07 0.04 0.00 -1.18 0.69 105.19 102.87 3cma n GLY 10 Ca -0.04 0.63 0.05 0.00 0.00 0.00 0.00 46.02 46.66 3cma n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cma n ARG 11 N -4.75 0.06 -3.68 1.61 1.74 -0.72 -4.87 116.66 106.06 3cma n ARG 11 Ca 0.29 0.54 -0.25 0.00 -0.77 0.00 0.00 57.85 57.66 3cma n ARG 11 Cb 0.98 -1.69 0.07 0.00 -1.02 0.00 0.00 32.46 30.80 3cma n ARG 11 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cma n GLY 12 N -1.32 -0.53 3.88 -0.13 0.00 0.22 -5.00 105.19 102.30 3cma n GLY 12 Ca -0.00 0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 3cma n GLY 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cma s THR 13 N -3.32 2.53 0.16 2.61 -4.23 -1.26 -4.75 115.64 107.38 3cma s THR 13 Ca 0.60 0.17 -0.28 0.00 -1.18 0.00 0.00 61.69 61.00 3cma s THR 13 Cb -0.27 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 70.44 3cma s THR 13 CO 0.75 -0.22 1.56 -1.28 -0.54 0.00 0.00 174.62 174.89 3cma h SER 14 N -0.98 -1.72 -1.10 3.99 0.87 -1.94 0.22 113.55 112.89 3cma h SER 14 Ca -0.46 0.27 0.32 0.00 -1.23 0.00 0.00 61.79 60.69 3cma h SER 14 Cb 1.30 0.77 -0.04 0.00 -0.44 0.00 0.00 62.40 63.99 3cma h SER 14 CO 0.65 -0.32 0.91 0.74 -0.53 0.00 0.00 176.83 178.27 3cma h THR 15 N -0.19 0.27 -0.01 2.23 2.02 -2.01 -1.17 112.91 114.05 3cma h THR 15 Ca 0.17 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.35 3cma h THR 15 Cb 0.54 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 3cma h THR 15 CO -0.76 0.00 -0.17 0.49 0.37 0.00 0.00 175.52 175.45 3cma n PHE 16 N -3.88 0.00 -2.45 3.16 3.01 0.00 -4.46 117.46 112.85 3cma n PHE 16 Ca 0.24 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.42 3cma n PHE 16 Cb 1.27 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.74 3cma n PHE 16 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3cma s ARG 17 N -1.48 3.46 0.19 -1.08 0.52 -0.44 -4.52 118.95 115.59 3cma s ARG 17 Ca 0.13 0.28 -0.08 0.00 -0.52 0.00 0.00 55.73 55.54 3cma s ARG 17 Cb 0.11 -2.30 -0.07 0.00 0.52 0.00 0.00 34.95 33.22 3cma s ARG 17 CO 0.28 -0.35 0.48 0.00 0.02 0.00 0.00 175.30 175.72 3cma s ALA 18 N -2.87 3.65 0.00 2.13 0.00 -1.26 -4.43 121.76 118.99 3cma s ALA 18 Ca 0.50 -0.37 -0.02 0.00 0.00 0.00 0.00 51.96 52.07 3cma s ALA 18 Cb -0.10 -2.32 -0.08 0.00 0.00 0.00 0.00 23.12 20.61 3cma s ALA 18 CO 0.47 0.57 1.52 -0.35 0.00 0.00 0.00 175.76 177.96 3cma n PRO 19 N 0.06 0.69 -0.28 0.00 -0.04 -1.26 -4.62 135.00 129.54 3cma n PRO 19 Ca -0.01 -0.31 0.05 0.00 -0.04 0.00 0.00 63.50 63.19 3cma n PRO 19 Cb 0.52 -1.62 0.15 0.00 -0.04 0.00 0.00 33.50 32.50 3cma n PRO 19 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3cma h SER 20 N 4.53 -0.55 0.00 3.54 0.02 -1.96 0.49 113.55 119.62 3cma h SER 20 Ca 0.06 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 3cma h SER 20 Cb 0.54 0.43 0.00 0.00 0.14 0.00 0.00 62.40 63.51 3cma h SER 20 CO 0.33 -0.24 0.23 0.00 -1.14 0.00 0.00 176.83 176.01 3cma n HIS 21 N -5.44 0.42 0.55 3.45 1.44 -1.26 0.56 115.22 114.93 3cma n HIS 21 Ca 0.14 0.22 0.06 0.00 -2.01 0.00 0.00 57.72 56.13 3cma n HIS 21 Cb 0.48 -0.68 0.04 0.00 0.12 0.00 0.00 29.99 29.94 3cma n HIS 21 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 3cma n ARG 22 N -1.97 1.14 -2.51 -1.40 0.63 0.17 -5.01 116.66 107.72 3cma n ARG 22 Ca -0.01 -1.12 -0.30 0.00 -0.92 0.00 0.00 57.85 55.50 3cma n ARG 22 Cb 0.25 -1.23 -0.02 0.00 0.45 0.00 0.00 32.46 31.92 3cma n ARG 22 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 3cma s TYR 23 N -1.24 3.51 0.00 -0.14 4.12 0.19 -4.94 117.35 118.86 3cma s TYR 23 Ca 0.14 1.16 0.00 0.00 0.02 0.00 0.00 57.07 58.39 3cma s TYR 23 Cb 0.11 -2.56 0.00 0.00 -1.52 0.00 0.00 41.96 37.99 3cma s TYR 23 CO 0.21 -0.32 0.00 1.63 0.02 0.00 0.00 175.55 177.09 3cma n LYS 24 N -1.83 0.00 -4.20 -0.62 5.02 -1.26 -5.05 118.16 110.23 3cma n LYS 24 Ca 0.04 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.21 3cma n LYS 24 Cb 0.54 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.45 3cma n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cma s ALA 25 N -4.00 1.14 -1.13 7.82 0.00 -1.26 -5.08 121.76 119.25 3cma s ALA 25 Ca 0.00 -1.44 -0.06 0.00 0.00 0.00 0.00 51.96 50.46 3cma s ALA 25 Cb 0.00 0.29 0.27 0.00 0.00 0.00 0.00 23.12 23.68 3cma s ALA 25 CO 0.00 -0.25 1.54 -0.40 0.00 0.00 0.00 175.76 176.64 3cma n ASP 26 N -0.12 6.05 -1.63 0.00 5.75 -1.26 -4.96 116.55 120.39 3cma n ASP 26 Ca -0.10 -3.31 0.00 0.00 -0.01 0.00 0.00 54.79 51.37 3cma n ASP 26 Cb 0.62 -1.33 0.00 0.00 -1.03 0.00 0.00 41.12 39.38 3cma n ASP 26 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3cma n LEU 27 N 2.06 -0.38 -4.85 -2.12 4.77 -1.26 -4.84 117.00 110.38 3cma n LEU 27 Ca 0.29 -0.21 -0.33 0.00 -0.03 0.00 0.00 56.01 55.74 3cma n LEU 27 Cb 0.34 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.38 3cma n LEU 27 CO 0.72 -0.39 -0.20 -1.61 -1.33 0.00 0.00 177.39 174.58 3cma s GLU 28 N 1.16 3.25 0.43 3.23 2.02 -1.26 -4.61 118.70 122.92 3cma s GLU 28 Ca 0.00 -0.43 -0.25 0.00 0.02 0.00 0.00 54.97 54.31 3cma s GLU 28 Cb 0.00 -2.97 -0.08 0.00 0.10 0.00 0.00 34.13 31.18 3cma s GLU 28 CO 0.00 0.65 1.37 -1.01 0.02 0.00 0.00 175.26 176.29 3cma s HIS 29 N -1.30 2.61 1.14 1.61 3.76 -1.04 -4.98 115.29 117.09 3cma s HIS 29 Ca 0.27 1.33 -0.12 0.00 -0.15 0.00 0.00 55.06 56.38 3cma s HIS 29 Cb -0.12 -3.81 0.27 0.00 1.11 0.00 0.00 32.58 30.03 3cma s HIS 29 CO 0.18 -2.56 1.04 1.03 -0.85 0.00 0.00 174.74 173.58 3cma s ARG 30 N -2.37 -0.75 -0.26 1.40 0.52 -1.26 -4.85 118.95 111.37 3cma s ARG 30 Ca 0.59 0.91 0.00 0.00 -0.52 0.00 0.00 55.73 56.71 3cma s ARG 30 Cb -0.41 -1.57 0.04 0.00 0.52 0.00 0.00 34.95 33.54 3cma s ARG 30 CO 0.53 -3.63 -0.07 0.15 0.02 0.00 0.00 175.30 172.29 3cma s LYS 31 N -4.48 2.52 -0.06 3.54 1.02 -1.26 -5.06 119.74 115.95 3cma s LYS 31 Ca 0.68 -1.18 0.01 0.00 0.02 0.00 0.00 55.97 55.51 3cma s LYS 31 Cb -0.25 -2.97 -0.03 0.00 -0.52 0.00 0.00 37.83 34.06 3cma s LYS 31 CO 0.64 -0.51 -0.08 0.08 -0.92 0.00 0.00 175.35 174.56 3cma s VAL 32 N 1.22 3.58 0.22 3.17 1.01 -1.26 -5.02 120.40 123.33 3cma s VAL 32 Ca -0.04 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.34 3cma s VAL 32 Cb -0.18 -2.45 0.14 0.00 0.00 0.00 0.00 36.38 33.88 3cma s VAL 32 CO -0.04 0.59 1.76 -0.33 0.00 0.00 0.00 175.10 177.08 3cma h GLU 33 N 5.25 1.13 0.00 2.72 3.07 -1.99 -3.49 114.58 121.28 3cma h GLU 33 Ca -0.48 -0.24 0.00 0.00 -0.50 0.00 0.00 59.36 58.14 3cma h GLU 33 Cb 1.17 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.91 3cma h GLU 33 CO 0.52 0.96 0.00 -3.47 -1.40 0.00 0.00 179.01 175.62 3cma n ASP 34 N -4.26 0.00 0.00 1.42 -0.08 -1.26 -5.03 116.55 107.34 3cma n ASP 34 Ca 0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.34 3cma n ASP 34 Cb 0.22 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.68 3cma n ASP 34 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3cma n GLY 35 N 0.00 0.54 3.37 0.27 0.00 -1.26 -4.28 105.19 103.83 3cma n GLY 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3cma n GLY 35 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3cma n ASP 36 N 1.08 0.00 -1.98 1.61 2.03 -1.26 -4.69 116.55 113.33 3cma n ASP 36 Ca 0.00 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.31 3cma n ASP 36 Cb 0.00 -0.35 -0.00 0.00 -0.72 0.00 0.00 41.12 40.05 3cma n ASP 36 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3cma n VAL 37 N -2.00 0.19 -4.06 5.18 0.24 -1.26 -4.59 118.33 112.03 3cma n VAL 37 Ca 0.00 -0.05 -0.33 0.00 -2.04 0.00 0.00 64.34 61.92 3cma n VAL 37 Cb 0.00 -1.08 -0.15 0.00 -1.47 0.00 0.00 33.84 31.14 3cma n VAL 37 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3cma s ILE 38 N 1.87 2.35 0.08 1.34 -1.09 -1.26 -5.00 121.20 119.49 3cma s ILE 38 Ca 0.00 -1.13 -0.02 0.00 -2.23 0.00 0.00 60.65 57.27 3cma s ILE 38 Cb 0.00 -2.15 -0.03 0.00 -1.58 0.00 0.00 42.46 38.70 3cma s ILE 38 CO 0.00 0.30 0.03 0.00 -1.23 0.00 0.00 174.94 174.04 3cma s ALA 39 N 1.26 0.50 0.31 9.38 0.00 -1.26 -2.14 121.76 129.81 3cma s ALA 39 Ca 0.00 -1.20 -0.09 0.00 0.00 0.00 0.00 51.96 50.68 3cma s ALA 39 Cb -0.16 0.48 0.01 0.00 0.00 0.00 0.00 23.12 23.46 3cma s ALA 39 CO -0.08 -0.43 0.53 0.20 0.00 0.00 0.00 175.76 175.97 3cma s GLY 40 N -2.95 0.93 -0.07 0.00 0.00 -0.36 -0.79 107.32 104.09 3cma s GLY 40 Ca 0.12 -1.14 0.03 0.00 0.00 0.00 0.00 44.72 43.73 3cma s GLY 40 CO -0.06 -0.74 -0.16 -1.59 0.00 0.00 0.00 173.10 170.54 3cma s THR 41 N -3.31 1.44 -0.41 0.90 2.01 0.17 -1.25 115.64 115.19 3cma s THR 41 Ca 0.25 -0.67 -0.27 0.00 0.31 0.00 0.00 61.69 61.31 3cma s THR 41 Cb -0.01 -1.27 -0.05 0.00 0.01 0.00 0.00 72.50 71.18 3cma s THR 41 CO 0.14 0.42 2.21 -0.69 -0.69 0.00 0.00 174.62 176.01 3cma s VAL 42 N 0.43 3.11 -0.43 3.82 1.01 -0.93 -1.66 120.40 125.75 3cma s VAL 42 Ca -0.13 0.09 0.23 0.00 0.00 0.00 0.00 61.98 62.17 3cma s VAL 42 Cb -0.15 -3.22 0.16 0.00 0.00 0.00 0.00 36.38 33.16 3cma s VAL 42 CO 0.05 -0.19 1.37 0.58 0.00 0.00 0.00 175.10 176.91 3cma h VAL 43 N 7.32 0.00 -1.14 2.92 2.07 -0.77 0.69 116.25 127.35 3cma h VAL 43 Ca -0.30 -0.85 0.30 0.00 0.82 0.00 0.00 66.70 66.66 3cma h VAL 43 Cb 1.23 1.60 -0.22 0.00 -1.52 0.00 0.00 31.29 32.38 3cma h VAL 43 CO 1.10 0.00 0.94 -0.62 0.02 0.00 0.00 177.57 179.01 3cma s ASP 44 N -5.37 -0.04 -0.11 0.57 2.15 -1.17 -4.89 116.67 107.81 3cma s ASP 44 Ca 0.05 0.01 0.01 0.00 0.43 0.00 0.00 52.55 53.05 3cma s ASP 44 Cb 0.09 0.04 -0.02 0.00 -0.30 0.00 0.00 42.92 42.74 3cma s ASP 44 CO 0.71 -0.07 -0.15 -0.63 -0.17 0.00 0.00 175.17 174.87 3cma s ILE 45 N -1.91 2.91 0.27 4.11 -1.09 -1.26 -0.01 121.20 124.21 3cma s ILE 45 Ca 0.11 -0.73 0.05 0.00 -2.23 0.00 0.00 60.65 57.85 3cma s ILE 45 Cb -0.01 -2.19 -0.06 0.00 -1.58 0.00 0.00 42.46 38.63 3cma s ILE 45 CO -0.04 0.54 -0.01 -1.61 -1.23 0.00 0.00 174.94 172.59 3cma s GLU 46 N 0.08 1.48 -0.04 2.79 2.02 0.21 -4.94 118.70 120.30 3cma s GLU 46 Ca -0.06 -1.76 -0.16 0.00 0.02 0.00 0.00 54.97 53.00 3cma s GLU 46 Cb -0.15 -0.87 -0.05 0.00 0.10 0.00 0.00 34.13 33.16 3cma s GLU 46 CO 0.05 -0.06 0.44 -1.58 0.02 0.00 0.00 175.26 174.13 3cma s HIS 47 N -3.24 3.66 -0.34 1.61 5.65 -1.26 0.94 115.29 122.31 3cma s HIS 47 Ca 0.30 0.97 -0.07 0.00 0.25 0.00 0.00 55.06 56.51 3cma s HIS 47 Cb 0.05 -2.40 0.03 0.00 -1.18 0.00 0.00 32.58 29.09 3cma s HIS 47 CO 0.11 0.47 0.12 0.34 -0.65 0.00 0.00 174.74 175.13 3cma s ASP 48 N -0.46 5.38 0.31 9.88 2.15 -0.41 -4.86 116.67 128.67 3cma s ASP 48 Ca 0.24 -1.08 0.04 0.00 0.43 0.00 0.00 52.55 52.18 3cma s ASP 48 Cb -0.16 -1.90 0.65 0.00 -0.30 0.00 0.00 42.92 41.20 3cma s ASP 48 CO 0.12 -0.33 1.86 -0.65 -0.17 0.00 0.00 175.17 176.00 3cma h PRO 49 N 8.26 0.87 0.00 4.34 0.11 -1.92 0.12 132.00 143.78 3cma h PRO 49 Ca -0.24 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.68 3cma h PRO 49 Cb 1.09 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.99 3cma h PRO 49 CO 0.61 0.57 -0.63 0.00 -0.21 0.00 0.00 178.00 178.35 3cma h ALA 50 N 1.56 0.91 -0.03 -0.75 0.00 -1.94 -3.34 119.26 115.67 3cma h ALA 50 Ca 0.47 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3cma h ALA 50 Cb 0.53 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3cma h ALA 50 CO -0.23 0.78 0.00 0.54 0.00 0.00 0.00 179.25 180.34 3cma n ARG 51 N -3.72 0.34 -4.10 0.00 1.74 -0.98 -5.00 116.66 104.96 3cma n ARG 51 Ca -0.01 -0.95 -0.30 0.00 -0.77 0.00 0.00 57.85 55.82 3cma n ARG 51 Cb 0.64 -1.08 -0.04 0.00 -1.02 0.00 0.00 32.46 30.97 3cma n ARG 51 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3cma n SER 52 N 0.12 -0.96 -3.80 0.55 7.64 0.36 -4.68 113.62 112.85 3cma n SER 52 Ca 0.03 -1.06 -0.09 0.00 1.01 0.00 0.00 58.87 58.76 3cma n SER 52 Cb 0.14 -2.72 -0.07 0.00 -1.01 0.00 0.00 64.21 60.56 3cma n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3cma s ALA 53 N -3.83 -0.41 0.52 -0.43 0.00 -1.23 -4.92 121.76 111.46 3cma s ALA 53 Ca 0.22 -0.45 -0.17 0.00 0.00 0.00 0.00 51.96 51.57 3cma s ALA 53 Cb -0.12 0.51 -0.07 0.00 0.00 0.00 0.00 23.12 23.44 3cma s ALA 53 CO 0.92 -0.52 1.00 -1.25 0.00 0.00 0.00 175.76 175.90 3cma s PRO 54 N -3.71 3.84 0.03 0.00 0.04 -1.26 -1.29 135.00 132.66 3cma s PRO 54 Ca 0.03 1.02 0.01 0.00 0.04 0.00 0.00 61.00 62.10 3cma s PRO 54 Cb 0.04 -2.12 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 3cma s PRO 54 CO -0.10 -0.36 -0.05 0.54 0.04 0.00 0.00 177.00 177.07 3cma s VAL 55 N -2.56 0.27 -0.02 -0.36 0.11 0.27 -4.39 120.40 113.72 3cma s VAL 55 Ca 0.60 -1.04 -0.02 0.00 -2.93 0.00 0.00 61.98 58.59 3cma s VAL 55 Cb -0.11 -0.48 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 3cma s VAL 55 CO 0.31 -0.50 0.12 0.00 -3.33 0.00 0.00 175.10 171.70 3cma s ALA 56 N -1.62 3.73 -0.24 1.54 0.00 -0.77 0.65 121.76 125.04 3cma s ALA 56 Ca -0.12 -0.81 -0.09 0.00 0.00 0.00 0.00 51.96 50.95 3cma s ALA 56 Cb -0.09 -1.72 -0.04 0.00 0.00 0.00 0.00 23.12 21.28 3cma s ALA 56 CO -0.01 0.70 0.11 0.00 0.00 0.00 0.00 175.76 176.55 3cma s ALA 57 N -1.21 3.35 0.10 0.00 0.00 0.98 0.86 121.76 125.83 3cma s ALA 57 Ca 0.23 -1.01 0.10 0.00 0.00 0.00 0.00 51.96 51.28 3cma s ALA 57 Cb -0.12 -2.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 3cma s ALA 57 CO 0.14 -0.33 -0.26 0.08 0.00 0.00 0.00 175.76 175.39 3cma s VAL 58 N 1.33 2.26 -0.28 0.00 1.01 -0.43 0.00 120.40 124.29 3cma s VAL 58 Ca 0.06 -1.61 0.00 0.00 0.00 0.00 0.00 61.98 60.43 3cma s VAL 58 Cb -0.15 -1.96 0.05 0.00 0.00 0.00 0.00 36.38 34.33 3cma s VAL 58 CO 0.05 0.19 -0.05 -1.61 0.00 0.00 0.00 175.10 173.67 3cma s GLU 59 N -1.77 2.38 0.29 2.72 2.02 -0.66 -1.63 118.70 122.04 3cma s GLU 59 Ca 0.13 -1.28 -0.13 0.00 0.02 0.00 0.00 54.97 53.71 3cma s GLU 59 Cb -0.10 -3.03 -0.08 0.00 0.10 0.00 0.00 34.13 31.01 3cma s GLU 59 CO 0.05 -0.58 0.68 -0.06 0.02 0.00 0.00 175.26 175.37 3cma s PHE 60 N 1.19 3.39 0.34 1.61 0.40 -0.95 -0.65 117.98 123.32 3cma s PHE 60 Ca -0.06 1.12 0.16 0.00 -0.60 0.00 0.00 56.93 57.54 3cma s PHE 60 Cb -0.20 -2.45 1.17 0.00 0.51 0.00 0.00 43.02 42.05 3cma s PHE 60 CO -0.03 0.15 1.51 0.39 0.70 0.00 0.00 175.22 177.94 3cma n GLU 61 N -0.27 -0.06 -0.32 0.44 1.02 0.03 0.36 120.64 121.85 3cma n GLU 61 Ca 0.02 1.35 0.02 0.00 -0.02 0.00 0.00 57.16 58.53 3cma n GLU 61 Cb 0.53 -2.36 0.14 0.00 -0.02 0.00 0.00 31.44 29.73 3cma n GLU 61 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3cma n ASP 62 N -5.22 2.67 -0.02 1.62 5.75 -1.26 -4.88 116.55 115.21 3cma n ASP 62 Ca 0.33 -2.33 -0.00 0.00 -0.01 0.00 0.00 54.79 52.78 3cma n ASP 62 Cb 1.13 -0.57 -0.00 0.00 -1.03 0.00 0.00 41.12 40.65 3cma n ASP 62 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3cma n GLY 63 N 0.22 0.45 3.47 6.12 0.00 0.16 -5.02 105.19 110.58 3cma n GLY 63 Ca 0.10 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 3cma n GLY 63 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cma s ASP 64 N -2.53 6.20 -0.30 1.61 1.01 -1.23 -4.88 116.67 116.57 3cma s ASP 64 Ca 0.00 -0.75 -0.19 0.00 0.71 0.00 0.00 52.55 52.31 3cma s ASP 64 Cb 0.00 -2.24 -0.01 0.00 1.01 0.00 0.00 42.92 41.68 3cma s ASP 64 CO 0.00 -0.65 0.57 -0.60 0.21 0.00 0.00 175.17 174.70 3cma s ARG 65 N 2.21 3.92 0.00 8.23 6.06 -1.26 -2.23 118.95 135.87 3cma s ARG 65 Ca 0.12 0.24 -0.11 0.00 -2.50 0.00 0.00 55.73 53.49 3cma s ARG 65 Cb -0.18 -3.71 0.01 0.00 0.06 0.00 0.00 34.95 31.13 3cma s ARG 65 CO 0.13 -0.51 0.21 1.03 -2.50 0.00 0.00 175.30 173.67 3cma s ARG 66 N 2.47 0.58 0.28 5.12 0.52 -0.65 -4.98 118.95 122.29 3cma s ARG 66 Ca 0.23 -0.35 -0.27 0.00 -0.52 0.00 0.00 55.73 54.82 3cma s ARG 66 Cb -0.15 0.25 -0.09 0.00 0.52 0.00 0.00 34.95 35.47 3cma s ARG 66 CO 0.11 -0.15 0.92 -0.51 0.02 0.00 0.00 175.30 175.69 3cma s LEU 67 N -1.45 4.47 0.01 2.53 1.43 -1.26 -1.31 118.68 123.10 3cma s LEU 67 Ca -0.13 1.84 0.03 0.00 -1.03 0.00 0.00 54.13 54.84 3cma s LEU 67 Cb -0.06 -3.80 -0.01 0.00 0.03 0.00 0.00 46.19 42.35 3cma s LEU 67 CO 0.02 0.04 -0.09 -0.51 0.23 0.00 0.00 176.35 176.04 3cma s ILE 68 N -1.42 0.73 -0.33 -0.59 2.07 0.25 -4.62 121.20 117.29 3cma s ILE 68 Ca 0.45 -0.54 -0.28 0.00 -1.41 0.00 0.00 60.65 58.88 3cma s ILE 68 Cb -0.21 -0.64 -0.04 0.00 0.13 0.00 0.00 42.46 41.69 3cma s ILE 68 CO 0.27 0.10 2.14 -0.22 -1.91 0.00 0.00 174.94 175.33 3cma s LEU 69 N -0.49 3.43 -0.08 8.50 1.98 -1.26 -1.86 118.68 128.91 3cma s LEU 69 Ca 0.02 1.49 -0.21 0.00 -2.89 0.00 0.00 54.13 52.53 3cma s LEU 69 Cb -0.05 -3.24 -0.04 0.00 0.66 0.00 0.00 46.19 43.52 3cma s LEU 69 CO -0.00 -2.13 0.61 0.00 -1.89 0.00 0.00 176.35 172.94 3cma s ALA 70 N 8.89 3.40 0.79 5.97 0.00 -1.26 -4.93 121.76 134.61 3cma s ALA 70 Ca 0.93 0.01 -0.12 0.00 0.00 0.00 0.00 51.96 52.79 3cma s ALA 70 Cb -0.26 -2.83 0.07 0.00 0.00 0.00 0.00 23.12 20.10 3cma s ALA 70 CO 0.32 -0.05 1.14 -2.14 0.00 0.00 0.00 175.76 175.04 3cma s PRO 71 N 0.66 2.11 0.53 0.00 0.02 -1.26 -1.58 135.00 135.48 3cma s PRO 71 Ca 0.33 0.29 -0.21 0.00 0.02 0.00 0.00 61.00 61.42 3cma s PRO 71 Cb -0.17 -1.95 -0.05 0.00 0.02 0.00 0.00 34.50 32.35 3cma s PRO 71 CO 0.15 -1.53 1.23 -2.00 -0.33 0.00 0.00 177.00 174.52 3cma s GLU 72 N -5.43 3.33 -0.30 5.54 2.12 0.87 -4.09 118.70 120.74 3cma s GLU 72 Ca 0.61 1.90 -0.01 0.00 0.36 0.00 0.00 54.97 57.83 3cma s GLU 72 Cb -0.12 -2.20 -0.01 0.00 0.26 0.00 0.00 34.13 32.06 3cma s GLU 72 CO 0.51 -0.94 0.27 0.41 -0.54 0.00 0.00 175.26 174.97 3cma n GLY 73 N 0.52 -0.09 2.84 -1.50 0.00 -1.26 -4.83 105.19 100.87 3cma n GLY 73 Ca 0.10 0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 3cma n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cma s VAL 74 N -3.08 -0.25 0.36 1.61 1.01 -1.26 -4.92 120.40 113.87 3cma s VAL 74 Ca 0.09 0.35 0.09 0.00 0.00 0.00 0.00 61.98 62.51 3cma s VAL 74 Cb -0.01 -0.29 -0.06 0.00 0.00 0.00 0.00 36.38 36.02 3cma s VAL 74 CO 0.24 0.15 -0.02 -0.83 0.00 0.00 0.00 175.10 174.64 3cma s GLY 75 N 2.24 2.19 0.83 4.51 0.00 -1.26 -5.04 107.32 110.80 3cma s GLY 75 Ca 0.03 -2.07 -0.12 0.00 0.00 0.00 0.00 44.72 42.55 3cma s GLY 75 CO -0.06 -1.98 1.19 0.14 0.00 0.00 0.00 173.10 172.39 3cma s VAL 76 N -2.58 2.05 -0.60 1.40 1.01 -1.26 -4.69 120.40 115.73 3cma s VAL 76 Ca 0.34 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.31 3cma s VAL 76 Cb 0.02 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 34.08 3cma s VAL 76 CO 0.18 -0.02 0.52 0.61 0.00 0.00 0.00 175.10 176.39 3cma n GLY 77 N 0.41 0.28 0.00 4.51 0.00 0.24 -4.93 105.19 105.70 3cma n GLY 77 Ca 0.13 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3cma n GLY 77 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3cma n ASP 78 N -0.58 0.00 -4.34 1.61 2.03 -1.26 -4.36 116.55 109.65 3cma n ASP 78 Ca -0.00 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.97 3cma n ASP 78 Cb 0.53 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.79 3cma n ASP 78 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 3cma s GLU 79 N 0.00 3.38 0.13 -0.67 2.12 -1.26 -2.20 118.70 120.20 3cma s GLU 79 Ca 0.00 -0.66 0.00 0.00 0.36 0.00 0.00 54.97 54.67 3cma s GLU 79 Cb 0.00 -2.78 -0.04 0.00 0.26 0.00 0.00 34.13 31.57 3cma s GLU 79 CO 0.00 0.05 0.30 -0.51 -0.54 0.00 0.00 175.26 174.55 3cma s LEU 80 N 0.80 4.31 0.00 2.70 1.43 -0.38 -4.92 118.68 122.63 3cma s LEU 80 Ca -0.04 0.30 0.03 0.00 -1.03 0.00 0.00 54.13 53.40 3cma s LEU 80 Cb -0.15 -3.03 -0.01 0.00 0.03 0.00 0.00 46.19 43.03 3cma s LEU 80 CO 0.01 0.07 -0.10 -1.10 0.23 0.00 0.00 176.35 175.45 3cma s GLN 81 N -2.96 0.80 -0.19 1.70 -0.21 -1.26 -1.22 119.66 116.32 3cma s GLN 81 Ca 0.36 -0.45 -0.03 0.00 0.02 0.00 0.00 55.36 55.27 3cma s GLN 81 Cb -0.12 -0.77 0.06 0.00 1.00 0.00 0.00 33.01 33.18 3cma s GLN 81 CO 0.28 0.21 0.03 0.08 -2.12 0.00 0.00 175.29 173.77 3cma s VAL 82 N -0.41 0.53 0.00 1.09 1.01 -0.91 -0.89 120.40 120.82 3cma s VAL 82 Ca 0.03 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.45 3cma s VAL 82 Cb -0.05 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.30 3cma s VAL 82 CO -0.00 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.51 3cma n GLY 83 N 5.05 0.73 0.17 4.51 0.00 0.08 -4.48 105.19 111.24 3cma n GLY 83 Ca -0.09 -1.13 -0.06 0.00 0.00 0.00 0.00 46.02 44.74 3cma n GLY 83 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3cma h VAL 84 N 2.00 0.96 -0.17 1.61 2.07 -1.90 -2.06 116.25 118.76 3cma h VAL 84 Ca 0.00 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.39 3cma h VAL 84 Cb 0.00 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 3cma h VAL 84 CO 0.00 0.07 0.00 -1.20 0.02 0.00 0.00 177.57 176.46 3cma n SER 85 N -4.95 1.08 -4.75 0.57 7.64 -1.26 -4.89 113.62 107.06 3cma n SER 85 Ca 0.01 -2.03 -0.36 0.00 1.01 0.00 0.00 58.87 57.50 3cma n SER 85 Cb 0.10 -0.17 0.04 0.00 -1.01 0.00 0.00 64.21 63.17 3cma n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3cma s ALA 86 N -1.72 2.51 0.29 -0.43 0.00 -0.77 -4.95 121.76 116.69 3cma s ALA 86 Ca 0.12 1.07 -0.29 0.00 0.00 0.00 0.00 51.96 52.85 3cma s ALA 86 Cb 0.07 -3.48 -0.10 0.00 0.00 0.00 0.00 23.12 19.61 3cma s ALA 86 CO 0.07 -1.27 1.20 -2.00 0.00 0.00 0.00 175.76 173.77 3cma s GLU 87 N -3.32 4.50 -1.02 0.00 2.12 -1.26 -4.89 118.70 114.82 3cma s GLU 87 Ca 0.79 1.99 -0.15 0.00 0.36 0.00 0.00 54.97 57.96 3cma s GLU 87 Cb -0.32 -3.14 -0.08 0.00 0.26 0.00 0.00 34.13 30.84 3cma s GLU 87 CO 0.35 0.01 2.13 -0.89 -0.54 0.00 0.00 175.26 176.32 3cma n ILE 88 N 1.16 2.53 -4.29 -3.70 5.41 -1.26 -4.83 119.36 114.38 3cma n ILE 88 Ca -0.00 -1.92 -0.20 0.00 1.00 0.00 0.00 62.75 61.63 3cma n ILE 88 Cb 0.43 -2.35 -0.11 0.00 -0.71 0.00 0.00 39.64 36.90 3cma n ILE 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3cma s ALA 89 N 3.96 1.77 0.65 -1.39 0.00 -1.26 -5.10 121.76 120.38 3cma s ALA 89 Ca 0.52 -1.38 -0.17 0.00 0.00 0.00 0.00 51.96 50.92 3cma s ALA 89 Cb 0.14 -0.14 -0.05 0.00 0.00 0.00 0.00 23.12 23.06 3cma s ALA 89 CO 0.02 0.19 0.72 -2.30 0.00 0.00 0.00 175.76 174.39 3cma n PRO 90 N 0.47 0.56 -1.04 0.00 -0.02 -1.26 -2.09 135.00 131.63 3cma n PRO 90 Ca -0.15 0.23 -0.01 0.00 -2.02 0.00 0.00 63.50 61.55 3cma n PRO 90 Cb 0.57 -1.95 -0.01 0.00 -0.02 0.00 0.00 33.50 32.09 3cma n PRO 90 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cma n GLY 91 N 1.50 0.39 3.53 -1.23 0.00 -0.77 -4.94 105.19 103.68 3cma n GLY 91 Ca 0.12 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 3cma n GLY 91 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3cma s ASN 92 N -2.12 4.31 -0.06 1.61 0.01 -0.89 -4.37 114.94 113.43 3cma s ASN 92 Ca 0.00 -0.13 0.00 0.00 -0.71 0.00 0.00 52.86 52.02 3cma s ASN 92 Cb 0.00 -0.98 -0.03 0.00 0.41 0.00 0.00 41.25 40.65 3cma s ASN 92 CO 0.00 0.34 -0.04 -0.89 -1.51 0.00 0.00 177.10 175.00 3cma s THR 93 N -0.79 3.90 -0.18 1.60 2.01 -0.07 -1.96 115.64 120.14 3cma s THR 93 Ca 0.12 -0.46 -0.31 0.00 0.31 0.00 0.00 61.69 61.36 3cma s THR 93 Cb -0.11 -2.63 0.14 0.00 0.01 0.00 0.00 72.50 69.92 3cma s THR 93 CO 0.02 0.56 1.12 -1.48 -0.69 0.00 0.00 174.62 174.15 3cma s LEU 94 N -0.96 -0.24 0.58 4.42 2.34 -0.91 -0.74 118.68 123.17 3cma s LEU 94 Ca 0.14 0.19 -0.18 0.00 0.06 0.00 0.00 54.13 54.33 3cma s LEU 94 Cb -0.11 1.59 -0.07 0.00 -0.56 0.00 0.00 46.19 47.04 3cma s LEU 94 CO 0.03 -0.27 0.70 -0.81 -1.06 0.00 0.00 176.35 174.93 3cma n PRO 95 N 0.40 0.66 0.13 1.48 -0.04 -1.26 -2.56 135.00 133.81 3cma n PRO 95 Ca -0.05 0.26 0.17 0.00 -0.04 0.00 0.00 63.50 63.84 3cma n PRO 95 Cb 0.59 -1.88 0.75 0.00 -0.04 0.00 0.00 33.50 32.92 3cma n PRO 95 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3cma h LEU 96 N 0.36 0.00 -0.44 1.53 3.38 -0.95 -2.28 115.31 116.92 3cma h LEU 96 Ca -0.46 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.51 3cma h LEU 96 Cb 1.39 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.11 3cma h LEU 96 CO 0.49 0.00 0.29 0.00 0.09 0.00 0.00 178.44 179.30 3cma h ALA 97 N 1.76 0.56 0.00 1.53 0.00 -1.56 -1.88 119.26 119.67 3cma h ALA 97 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3cma h ALA 97 Cb 0.66 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3cma h ALA 97 CO -0.00 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.64 3cma n GLU 98 N -4.79 0.88 -3.43 0.00 -0.58 -0.86 -4.77 120.64 107.09 3cma n GLU 98 Ca 0.01 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.38 3cma n GLU 98 Cb 0.02 -1.46 -0.07 0.00 -0.57 0.00 0.00 31.44 29.37 3cma n GLU 98 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3cma s ILE 99 N -2.00 5.24 0.36 -3.67 -1.09 -0.71 -4.98 121.20 114.35 3cma s ILE 99 Ca 0.39 0.69 -0.28 0.00 -2.23 0.00 0.00 60.65 59.22 3cma s ILE 99 Cb 0.18 -3.71 -0.10 0.00 -1.58 0.00 0.00 42.46 37.25 3cma s ILE 99 CO 0.30 0.32 1.31 -2.16 -1.23 0.00 0.00 174.94 173.48 3cma s PRO 100 N 0.87 4.22 1.15 2.79 0.04 -1.26 -4.98 135.00 137.83 3cma s PRO 100 Ca 0.19 2.21 -0.17 0.00 0.04 0.00 0.00 61.00 63.27 3cma s PRO 100 Cb -0.14 -2.96 0.17 0.00 0.04 0.00 0.00 34.50 31.60 3cma s PRO 100 CO 0.07 -0.30 0.27 0.39 0.04 0.00 0.00 177.00 177.47 3cma n GLU 101 N 0.56 -2.04 -3.97 4.56 1.02 -1.26 -3.66 120.64 115.85 3cma n GLU 101 Ca 0.01 -0.58 -0.26 0.00 -0.02 0.00 0.00 57.16 56.32 3cma n GLU 101 Cb 0.42 -1.80 -0.02 0.00 -0.02 0.00 0.00 31.44 30.02 3cma n GLU 101 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cma n GLY 102 N 1.84 -0.23 2.74 0.62 0.00 0.17 -4.98 105.19 105.35 3cma n GLY 102 Ca 0.01 0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 3cma n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cma s VAL 103 N -3.95 0.24 0.04 1.61 1.01 -1.23 -4.97 120.40 113.15 3cma s VAL 103 Ca 0.03 0.15 -0.35 0.00 0.00 0.00 0.00 61.98 61.81 3cma s VAL 103 Cb -0.01 -0.47 -0.13 0.00 0.00 0.00 0.00 36.38 35.77 3cma s VAL 103 CO 0.89 0.19 1.67 -2.65 0.00 0.00 0.00 175.10 175.20 3cma n PRO 104 N 5.19 2.02 -4.26 2.72 -0.02 -1.26 -3.21 135.00 136.17 3cma n PRO 104 Ca -0.06 0.73 -0.15 0.00 -2.02 0.00 0.00 63.50 62.01 3cma n PRO 104 Cb 0.50 -2.51 -0.10 0.00 -0.02 0.00 0.00 33.50 31.36 3cma n PRO 104 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3cma s VAL 105 N 2.16 1.14 0.10 -1.45 1.01 0.72 0.68 120.40 124.76 3cma s VAL 105 Ca 0.85 -2.06 -0.12 0.00 0.00 0.00 0.00 61.98 60.65 3cma s VAL 105 Cb -0.73 -1.93 0.02 0.00 0.00 0.00 0.00 36.38 33.74 3cma s VAL 105 CO 0.45 -0.68 0.30 0.00 0.00 0.00 0.00 175.10 175.17 3cma n ASN 107 N -0.09 -3.36 -4.74 0.00 5.15 0.49 -1.54 115.26 111.17 3cma n ASN 107 Ca -0.16 -0.65 -0.40 0.00 -0.60 0.00 0.00 54.58 52.78 3cma n ASN 107 Cb 0.63 -5.15 -0.05 0.00 -0.53 0.00 0.00 39.78 34.68 3cma n ASN 107 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3cma s VAL 108 N -3.37 4.70 0.40 3.44 1.01 -0.23 -4.30 120.40 122.06 3cma s VAL 108 Ca 0.13 1.69 -0.24 0.00 0.00 0.00 0.00 61.98 63.56 3cma s VAL 108 Cb -0.02 -4.14 -0.09 0.00 0.00 0.00 0.00 36.38 32.13 3cma s VAL 108 CO 0.73 0.36 1.04 -1.61 0.00 0.00 0.00 175.10 175.62 3cma s GLU 109 N -0.03 4.18 -0.05 2.72 2.02 -1.02 0.59 118.70 127.11 3cma s GLU 109 Ca 0.40 1.49 -0.13 0.00 0.02 0.00 0.00 54.97 56.75 3cma s GLU 109 Cb -0.21 -2.54 -0.31 0.00 0.10 0.00 0.00 34.13 31.18 3cma s GLU 109 CO 0.24 -0.13 0.68 1.03 0.02 0.00 0.00 175.26 177.10 3cma h SER 110 N 2.50 0.60 -3.39 -0.19 0.87 -1.92 -3.45 113.55 108.55 3cma h SER 110 Ca -0.48 -0.92 -0.49 0.00 -1.23 0.00 0.00 61.79 58.66 3cma h SER 110 Cb 1.21 -0.19 -0.34 0.00 -0.44 0.00 0.00 62.40 62.64 3cma h SER 110 CO 0.62 1.75 -0.80 -0.55 -0.53 0.00 0.00 176.83 177.32 3cma s SER 111 N -7.27 1.62 -0.35 6.23 0.15 -1.26 -4.76 113.70 108.05 3cma s SER 111 Ca -0.16 -0.25 -0.40 0.00 0.70 0.00 0.00 55.95 55.84 3cma s SER 111 Cb 0.05 -0.73 -0.15 0.00 -1.71 0.00 0.00 66.02 63.48 3cma s SER 111 CO 0.85 -0.01 1.94 -0.81 1.20 0.00 0.00 173.24 176.40 3cma n PRO 112 N 4.04 0.87 0.00 5.44 -0.04 -1.26 -0.82 135.00 143.22 3cma n PRO 112 Ca -0.22 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 3cma n PRO 112 Cb 0.51 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.90 3cma n PRO 112 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3cma n GLY 113 N 5.46 2.62 0.27 0.55 0.00 -1.26 -4.98 105.19 107.85 3cma n GLY 113 Ca 0.36 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.45 3cma n GLY 113 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3cma h ASP 114 N 0.04 0.11 0.00 1.61 3.04 -1.41 -3.47 116.42 116.35 3cma h ASP 114 Ca 0.00 -0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3cma h ASP 114 Cb 0.00 -0.03 0.00 0.00 -1.04 0.00 0.00 39.33 38.26 3cma h ASP 114 CO 0.00 0.10 0.00 0.61 -2.04 0.00 0.00 179.24 177.91 3cma n GLY 115 N -1.48 0.89 0.00 7.15 0.00 -1.26 -4.92 105.19 105.57 3cma n GLY 115 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3cma n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cma n GLY 116 N -1.30 2.54 1.44 -0.02 0.00 -1.26 -2.49 105.19 104.09 3cma n GLY 116 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.78 3cma n GLY 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cma n LYS 117 N 1.57 0.00 -2.20 1.61 4.76 0.20 -4.85 118.16 119.26 3cma n LYS 117 Ca 0.00 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.13 3cma n LYS 117 Cb 0.00 -0.29 -0.01 0.00 -1.84 0.00 0.00 35.03 32.88 3cma n LYS 117 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3cma s PHE 118 N -2.00 3.54 -0.22 2.13 0.40 0.04 -4.63 117.98 117.24 3cma s PHE 118 Ca 0.00 1.32 -0.13 0.00 -0.60 0.00 0.00 56.93 57.52 3cma s PHE 118 Cb 0.00 -2.71 0.02 0.00 0.51 0.00 0.00 43.02 40.84 3cma s PHE 118 CO 0.00 -0.50 0.25 0.00 0.70 0.00 0.00 175.22 175.68 3cma n ALA 119 N -2.15 -2.44 -0.27 5.36 0.00 -1.26 -1.06 120.51 118.68 3cma n ALA 119 Ca 0.06 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3cma n ALA 119 Cb 0.54 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.56 3cma n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3cma n ARG 120 N 0.61 0.30 -1.91 0.00 1.74 -1.26 0.18 116.66 116.32 3cma n ARG 120 Ca -0.01 -0.01 -0.29 0.00 -0.77 0.00 0.00 57.85 56.77 3cma n ARG 120 Cb 0.46 -0.18 0.07 0.00 -1.02 0.00 0.00 32.46 31.80 3cma n ARG 120 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3cma s ALA 121 N -0.05 2.79 0.07 7.54 0.00 -1.26 -4.96 121.76 125.89 3cma s ALA 121 Ca 0.00 -0.52 -0.37 0.00 0.00 0.00 0.00 51.96 51.07 3cma s ALA 121 Cb 0.00 -2.97 -0.17 0.00 0.00 0.00 0.00 23.12 19.98 3cma s ALA 121 CO 0.00 -1.41 1.35 0.43 0.00 0.00 0.00 175.76 176.12 3cma n SER 122 N -3.16 1.61 0.00 0.00 7.64 -1.26 -2.60 113.62 115.85 3cma n SER 122 Ca 0.07 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.07 3cma n SER 122 Cb 0.59 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 3cma n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cma n GLY 123 N 2.55 0.07 3.92 0.23 0.00 -0.93 -4.71 105.19 106.31 3cma n GLY 123 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 3cma n GLY 123 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cma s VAL 124 N -1.12 2.04 -0.18 1.61 -7.23 -1.07 -4.54 120.40 109.91 3cma s VAL 124 Ca 0.00 -0.06 -0.30 0.00 -1.81 0.00 0.00 61.98 59.81 3cma s VAL 124 Cb 0.00 -2.98 0.14 0.00 0.56 0.00 0.00 36.38 34.10 3cma s VAL 124 CO 0.00 0.00 1.06 0.54 -0.31 0.00 0.00 175.10 176.39 3cma s ASN 125 N -4.68 -0.31 0.12 4.85 2.20 -1.26 -0.73 114.94 115.12 3cma s ASN 125 Ca 0.66 0.34 0.02 0.00 -0.94 0.00 0.00 52.86 52.94 3cma s ASN 125 Cb -0.08 0.26 -0.04 0.00 -2.00 0.00 0.00 41.25 39.38 3cma s ASN 125 CO 0.50 -0.29 0.22 0.00 -2.94 0.00 0.00 177.10 174.59 3cma s ALA 126 N -1.09 3.89 -0.23 3.54 0.00 0.27 -3.94 121.76 124.20 3cma s ALA 126 Ca 0.00 -0.99 -0.02 0.00 0.00 0.00 0.00 51.96 50.95 3cma s ALA 126 Cb -0.01 -1.71 0.01 0.00 0.00 0.00 0.00 23.12 21.42 3cma s ALA 126 CO -0.00 0.65 -0.08 -1.14 0.00 0.00 0.00 175.76 175.19 3cma s GLN 127 N -2.91 3.03 -0.62 0.00 2.00 -0.21 -0.20 119.66 120.75 3cma s GLN 127 Ca 0.34 -0.84 -0.28 0.00 -2.00 0.00 0.00 55.36 52.58 3cma s GLN 127 Cb -0.12 -2.92 0.03 0.00 0.80 0.00 0.00 33.01 30.80 3cma s GLN 127 CO 0.27 -0.30 1.27 -1.17 -0.50 0.00 0.00 175.29 174.85 3cma s LEU 128 N 1.37 3.37 -0.09 3.68 2.96 -1.20 -0.90 118.68 127.87 3cma s LEU 128 Ca 0.03 0.00 -0.05 0.00 -0.22 0.00 0.00 54.13 53.89 3cma s LEU 128 Cb -0.15 -2.99 -0.02 0.00 0.50 0.00 0.00 46.19 43.53 3cma s LEU 128 CO -0.06 -1.63 -0.10 -0.07 -1.32 0.00 0.00 176.35 173.17 3cma h LEU 129 N 12.48 0.00 -9.61 -0.68 3.38 -1.72 0.49 115.31 119.66 3cma h LEU 129 Ca -0.26 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.10 3cma h LEU 129 Cb 1.06 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.72 3cma h LEU 129 CO 1.21 0.46 -0.62 -0.89 0.09 0.00 0.00 178.44 178.70 3cma s THR 130 N -1.75 4.21 0.47 0.22 2.01 -1.08 -4.19 115.64 115.53 3cma s THR 130 Ca -0.08 -1.06 0.04 0.00 0.31 0.00 0.00 61.69 60.89 3cma s THR 130 Cb 0.01 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 3cma s THR 130 CO 0.13 0.00 0.02 -1.00 -0.69 0.00 0.00 174.62 173.07 3cma s HIS 131 N -1.55 2.15 0.00 4.92 3.76 -1.26 -2.13 115.29 121.18 3cma s HIS 131 Ca 0.28 -0.83 0.00 0.00 -0.15 0.00 0.00 55.06 54.37 3cma s HIS 131 Cb -0.11 -1.70 0.00 0.00 1.11 0.00 0.00 32.58 31.89 3cma s HIS 131 CO 0.21 0.31 0.00 -3.47 -0.85 0.00 0.00 174.74 170.94 3cma n ASP 132 N -1.15 0.00 -0.79 1.40 -0.08 -1.25 -4.87 116.55 109.82 3cma n ASP 132 Ca -0.13 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.28 3cma n ASP 132 Cb 0.67 0.00 0.17 0.00 2.34 0.00 0.00 41.12 44.29 3cma n ASP 132 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3cma n ARG 133 N -0.24 2.00 0.00 -0.67 1.74 -1.26 -4.53 116.66 113.70 3cma n ARG 133 Ca 0.00 -1.58 0.00 0.00 -0.77 0.00 0.00 57.85 55.50 3cma n ARG 133 Cb 0.00 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 3cma n ARG 133 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3cma n ASN 134 N 0.88 1.57 -3.79 0.55 3.02 -1.26 -5.00 115.26 111.24 3cma n ASN 134 Ca 0.14 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.55 3cma n ASN 134 Cb 0.53 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.55 3cma n ASN 134 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3cma s VAL 135 N -1.57 -0.04 -0.26 2.41 0.11 -1.26 -4.19 120.40 115.60 3cma s VAL 135 Ca 0.00 0.16 -0.10 0.00 -2.93 0.00 0.00 61.98 59.11 3cma s VAL 135 Cb 0.00 -0.09 -0.05 0.00 -1.53 0.00 0.00 36.38 34.71 3cma s VAL 135 CO 0.00 0.07 0.16 0.00 -3.33 0.00 0.00 175.10 171.99 3cma s ALA 136 N 0.83 3.48 -0.51 1.54 0.00 0.19 -3.74 121.76 123.55 3cma s ALA 136 Ca -0.07 -1.03 -0.19 0.00 0.00 0.00 0.00 51.96 50.67 3cma s ALA 136 Cb -0.10 -2.35 0.06 0.00 0.00 0.00 0.00 23.12 20.73 3cma s ALA 136 CO -0.03 -0.42 0.63 0.08 0.00 0.00 0.00 175.76 176.03 3cma s VAL 137 N 1.51 4.87 -0.07 0.00 1.01 -0.91 0.08 120.40 126.88 3cma s VAL 137 Ca 0.07 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 3cma s VAL 137 Cb -0.15 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 3cma s VAL 137 CO 0.08 -0.84 0.08 -0.69 0.00 0.00 0.00 175.10 173.73 3cma s VAL 138 N 2.64 4.92 -0.36 2.92 1.01 0.02 -1.80 120.40 129.74 3cma s VAL 138 Ca 0.15 -0.13 -0.12 0.00 0.00 0.00 0.00 61.98 61.88 3cma s VAL 138 Cb -0.20 -3.16 0.01 0.00 0.00 0.00 0.00 36.38 33.03 3cma s VAL 138 CO 0.11 0.52 0.22 -0.75 0.00 0.00 0.00 175.10 175.20 3cma s LYS 139 N -1.25 3.07 0.77 2.72 2.20 -0.08 0.11 119.74 127.28 3cma s LYS 139 Ca 0.18 -0.93 -0.11 0.00 -0.36 0.00 0.00 55.97 54.75 3cma s LYS 139 Cb -0.12 -3.77 0.05 0.00 -1.51 0.00 0.00 37.83 32.49 3cma s LYS 139 CO 0.07 -0.62 1.08 -0.51 -0.36 0.00 0.00 175.35 175.02 3cma s LEU 140 N 1.62 2.76 0.64 5.43 1.43 -0.21 -1.05 118.68 129.31 3cma s LEU 140 Ca 0.04 1.43 0.28 0.00 -1.03 0.00 0.00 54.13 54.85 3cma s LEU 140 Cb -0.18 -4.12 1.51 0.00 0.03 0.00 0.00 46.19 43.43 3cma s LEU 140 CO 0.08 -1.85 1.85 1.55 0.23 0.00 0.00 176.35 178.21 3cma h PRO 141 N -1.00 0.00 -0.00 1.29 0.13 -1.90 0.59 132.00 131.11 3cma h PRO 141 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3cma h PRO 141 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3cma h PRO 141 CO 0.58 0.00 -0.11 -1.13 -0.23 0.00 0.00 178.00 177.11 3cma n SER 142 N -2.82 0.26 0.00 1.44 3.41 -1.26 -4.89 113.62 109.76 3cma n SER 142 Ca -0.02 -0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 3cma n SER 142 Cb 0.40 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 3cma n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cma n GLY 143 N 1.36 0.64 3.73 5.00 0.00 0.21 -5.05 105.19 111.08 3cma n GLY 143 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3cma n GLY 143 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3cma s GLU 144 N -0.78 4.63 -0.32 1.61 2.12 -1.24 -4.75 118.70 119.96 3cma s GLU 144 Ca 0.00 1.59 -0.29 0.00 0.36 0.00 0.00 54.97 56.63 3cma s GLU 144 Cb 0.00 -3.34 0.01 0.00 0.26 0.00 0.00 34.13 31.06 3cma s GLU 144 CO 0.00 0.11 1.27 -1.64 -0.54 0.00 0.00 175.26 174.45 3cma s MET 145 N -0.01 3.90 -0.16 4.30 -1.94 -1.26 -1.05 119.30 123.08 3cma s MET 145 Ca 0.49 1.16 -0.02 0.00 -1.71 0.00 0.00 55.69 55.61 3cma s MET 145 Cb -0.26 -3.87 -0.01 0.00 2.01 0.00 0.00 34.83 32.69 3cma s MET 145 CO 0.32 -1.14 -0.09 0.21 -0.01 0.00 0.00 175.02 174.31 3cma s LYS 146 N 4.17 3.44 -0.20 2.03 2.47 0.31 -4.98 119.74 126.98 3cma s LYS 146 Ca 0.55 -0.64 -0.22 0.00 -1.56 0.00 0.00 55.97 54.10 3cma s LYS 146 Cb -0.15 -2.79 -0.02 0.00 -1.46 0.00 0.00 37.83 33.40 3cma s LYS 146 CO 0.23 0.10 0.69 1.03 0.16 0.00 0.00 175.35 177.56 3cma s ARG 147 N 0.68 4.22 0.18 4.03 0.52 -1.26 -0.80 118.95 126.51 3cma s ARG 147 Ca -0.05 0.72 0.07 0.00 -0.52 0.00 0.00 55.73 55.95 3cma s ARG 147 Cb -0.15 -3.59 -0.04 0.00 0.52 0.00 0.00 34.95 31.69 3cma s ARG 147 CO 0.02 -0.29 -0.13 -0.51 0.02 0.00 0.00 175.30 174.41 3cma s LEU 148 N 2.08 2.53 0.05 2.53 1.43 0.11 -4.96 118.68 122.46 3cma s LEU 148 Ca 0.31 -1.00 -0.31 0.00 -1.03 0.00 0.00 54.13 52.11 3cma s LEU 148 Cb -0.16 -0.57 -0.07 0.00 0.03 0.00 0.00 46.19 45.43 3cma s LEU 148 CO 0.10 -0.21 1.43 -0.62 0.23 0.00 0.00 176.35 177.28 3cma s ASP 149 N -3.18 6.81 0.12 2.29 -1.08 -1.26 0.53 116.67 120.91 3cma s ASP 149 Ca 0.19 2.23 0.08 0.00 -0.52 0.00 0.00 52.55 54.54 3cma s ASP 149 Cb -0.00 -2.57 0.45 0.00 -1.46 0.00 0.00 42.92 39.34 3cma s ASP 149 CO 0.04 -0.72 1.24 -0.81 0.52 0.00 0.00 175.17 175.45 3cma n PRO 150 N 4.91 0.05 0.00 4.34 -0.04 -1.26 -0.67 135.00 142.33 3cma n PRO 150 Ca 0.13 0.55 0.15 0.00 -0.04 0.00 0.00 63.50 64.28 3cma n PRO 150 Cb 0.43 -1.69 0.71 0.00 -0.04 0.00 0.00 33.50 32.91 3cma n PRO 150 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3cma n GLN 151 N -1.78 1.01 -2.39 0.54 -0.06 -1.26 -1.51 117.38 111.92 3cma n GLN 151 Ca -0.01 -0.32 -0.43 0.00 -2.00 0.00 0.00 57.00 54.25 3cma n GLN 151 Cb 0.02 -1.49 -0.02 0.00 -4.06 0.00 0.00 30.24 24.69 3cma n GLN 151 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3cma s ARG 153 N 4.13 2.27 0.09 0.00 0.52 -1.26 -1.11 118.95 123.59 3cma s ARG 153 Ca 0.57 1.18 -0.27 0.00 -0.52 0.00 0.00 55.73 56.70 3cma s ARG 153 Cb -0.18 -1.90 0.08 0.00 0.52 0.00 0.00 34.95 33.47 3cma s ARG 153 CO 0.23 -1.64 0.96 0.00 0.02 0.00 0.00 175.30 174.87 3cma s ALA 154 N -2.87 -1.75 -0.08 2.13 0.00 -1.06 -2.43 121.76 115.70 3cma s ALA 154 Ca 0.61 0.44 -0.01 0.00 0.00 0.00 0.00 51.96 53.01 3cma s ALA 154 Cb -0.17 0.55 -0.03 0.00 0.00 0.00 0.00 23.12 23.46 3cma s ALA 154 CO 0.55 -0.93 -0.03 0.99 0.00 0.00 0.00 175.76 176.34 3cma s THR 155 N -3.17 4.04 0.15 0.00 2.01 -0.59 -2.13 115.64 115.96 3cma s THR 155 Ca 0.10 -0.35 -0.30 0.00 0.31 0.00 0.00 61.69 61.45 3cma s THR 155 Cb -0.01 -2.68 -0.07 0.00 0.01 0.00 0.00 72.50 69.75 3cma s THR 155 CO -0.02 0.60 0.99 -0.63 -0.69 0.00 0.00 174.62 174.87 3cma s ILE 156 N -0.82 4.28 0.00 1.82 1.01 -0.83 -0.37 121.20 126.29 3cma s ILE 156 Ca 0.12 1.98 0.00 0.00 0.00 0.00 0.00 60.65 62.75 3cma s ILE 156 Cb -0.11 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.10 3cma s ILE 156 CO 0.02 0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.91 3cma n GLY 157 N 2.05 -2.19 3.95 6.18 0.00 0.22 -1.84 105.19 113.55 3cma n GLY 157 Ca 0.02 -2.20 -0.20 0.00 0.00 0.00 0.00 46.02 43.64 3cma n GLY 157 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cma s VAL 158 N -0.88 4.11 0.29 1.61 -7.23 -1.26 -3.36 120.40 113.68 3cma s VAL 158 Ca 0.00 -1.10 -0.29 0.00 -1.81 0.00 0.00 61.98 58.77 3cma s VAL 158 Cb 0.00 -3.41 -0.10 0.00 0.56 0.00 0.00 36.38 33.43 3cma s VAL 158 CO 0.00 -0.19 1.22 -0.69 -0.31 0.00 0.00 175.10 175.13 3cma s VAL 159 N -2.18 3.10 1.03 1.32 1.01 0.09 -0.09 120.40 124.68 3cma s VAL 159 Ca 0.42 1.08 -0.11 0.00 0.00 0.00 0.00 61.98 63.36 3cma s VAL 159 Cb -0.08 -3.68 0.21 0.00 0.00 0.00 0.00 36.38 32.82 3cma s VAL 159 CO 0.29 0.24 1.08 0.00 0.00 0.00 0.00 175.10 176.72 3cma s ALA 160 N -0.96 0.56 0.00 5.51 0.00 -0.61 -2.19 121.76 124.07 3cma s ALA 160 Ca 0.48 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.64 3cma s ALA 160 Cb -0.36 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.43 3cma s ALA 160 CO 0.46 -3.23 0.00 0.41 0.00 0.00 0.00 175.76 173.40 3cma n GLY 161 N 0.36 0.49 3.51 0.00 0.00 -1.26 -2.38 105.19 105.90 3cma n GLY 161 Ca 0.07 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 3cma n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cma n GLY 162 N -2.95 -1.13 1.29 -0.02 0.00 -1.26 -3.03 105.19 98.09 3cma n GLY 162 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3cma n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cma n GLY 163 N 1.62 1.13 0.32 -0.02 0.00 -1.26 -4.88 105.19 102.10 3cma n GLY 163 Ca 0.11 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.30 3cma n GLY 163 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3cma h ARG 164 N 3.41 0.23 0.00 1.61 2.43 -1.90 0.18 114.38 120.34 3cma h ARG 164 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3cma h ARG 164 Cb 0.00 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 3cma h ARG 164 CO 0.00 0.15 0.00 1.15 -1.51 0.00 0.00 179.97 179.76 3cma h THR 165 N 0.24 0.00 0.00 0.20 2.02 -1.92 -3.29 112.91 110.17 3cma h THR 165 Ca 0.62 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 67.29 3cma h THR 165 Cb 1.31 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 69.22 3cma h THR 165 CO -0.65 0.00 0.00 0.44 0.37 0.00 0.00 175.52 175.68 3cma h ASP 166 N 0.00 0.00 -3.30 4.18 3.32 -1.04 -3.42 116.42 116.16 3cma h ASP 166 Ca 0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 3cma h ASP 166 Cb 0.51 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 39.86 3cma h ASP 166 CO 0.00 0.00 -0.64 -0.75 -1.72 0.00 0.00 179.24 176.13 3cma s LYS 167 N -3.41 3.72 0.61 3.56 2.20 -1.24 -5.09 119.74 120.09 3cma s LYS 167 Ca 0.03 -0.47 -0.18 0.00 -0.36 0.00 0.00 55.97 54.99 3cma s LYS 167 Cb 0.09 -2.98 -0.02 0.00 -1.51 0.00 0.00 37.83 33.40 3cma s LYS 167 CO 0.38 0.27 1.17 -1.25 -0.36 0.00 0.00 175.35 175.56 3cma s PRO 168 N 0.30 2.92 0.52 4.03 0.04 -1.26 -4.92 135.00 136.63 3cma s PRO 168 Ca -0.02 1.68 0.33 0.00 0.04 0.00 0.00 61.00 63.03 3cma s PRO 168 Cb -0.14 -1.94 1.34 0.00 0.04 0.00 0.00 34.50 33.81 3cma s PRO 168 CO 0.02 -1.21 1.96 0.74 0.04 0.00 0.00 177.00 178.55 3cma h PHE 169 N 0.63 0.00 0.00 0.56 -1.00 -1.98 -3.46 116.94 111.70 3cma h PHE 169 Ca -0.49 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.29 3cma h PHE 169 Cb 1.28 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.84 3cma h PHE 169 CO 0.49 0.00 0.00 0.28 -1.61 0.00 0.00 178.31 177.47 3cma n VAL 170 N -2.98 0.00 -4.01 -0.55 0.31 -1.26 -4.67 118.33 105.17 3cma n VAL 170 Ca 0.01 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.24 3cma n VAL 170 Cb 0.29 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.11 3cma n VAL 170 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 3cma s LYS 171 N 0.00 0.40 0.23 5.55 -2.85 -1.26 -5.04 119.74 116.76 3cma s LYS 171 Ca 0.00 -0.70 -0.13 0.00 -1.00 0.00 0.00 55.97 54.15 3cma s LYS 171 Cb 0.00 -0.02 0.28 0.00 -2.06 0.00 0.00 37.83 36.04 3cma s LYS 171 CO 0.00 -0.02 1.61 0.00 0.10 0.00 0.00 175.35 177.04 3cma h ALA 172 N 4.51 0.46 -1.02 0.59 0.00 -2.01 0.12 119.26 121.90 3cma h ALA 172 Ca -0.33 0.28 0.26 0.00 0.00 0.00 0.00 54.91 55.12 3cma h ALA 172 Cb 1.20 0.56 -0.08 0.00 0.00 0.00 0.00 17.79 19.47 3cma h ALA 172 CO 0.42 -0.42 0.68 0.78 0.00 0.00 0.00 179.25 180.71 3cma h GLY 173 N -0.01 0.92 0.56 0.00 0.00 -1.96 0.20 103.07 102.78 3cma h GLY 173 Ca 0.34 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 3cma h GLY 173 CO -0.74 -0.08 -0.02 3.43 0.00 0.00 0.00 176.54 179.12 3cma h ASN 174 N 0.33 -0.06 -0.49 0.19 2.35 -1.24 -2.24 115.58 114.43 3cma h ASN 174 Ca 0.55 -0.40 0.10 0.00 -0.55 0.00 0.00 56.30 56.00 3cma h ASN 174 Cb 1.54 0.02 -0.09 0.00 0.05 0.00 0.00 38.32 39.83 3cma h ASN 174 CO -0.22 0.38 -0.11 0.50 -1.65 0.00 0.00 177.43 176.33 3cma h LYS 175 N -0.51 0.01 -0.63 0.81 3.11 -1.06 -1.21 116.57 117.09 3cma h LYS 175 Ca -0.01 -0.00 0.10 0.00 -2.81 0.00 0.00 60.65 57.93 3cma h LYS 175 Cb 0.46 -0.00 -0.11 0.00 -1.00 0.00 0.00 32.23 31.57 3cma h LYS 175 CO 0.01 0.01 -0.40 1.25 -2.81 0.00 0.00 179.45 177.50 3cma h HIS 176 N 0.01 -1.17 -0.63 1.91 2.76 -0.55 0.57 115.15 118.06 3cma h HIS 176 Ca 0.24 0.08 -0.01 0.00 -2.20 0.00 0.00 60.37 58.48 3cma h HIS 176 Cb 0.36 0.60 -0.03 0.00 1.55 0.00 0.00 27.41 29.89 3cma h HIS 176 CO -0.40 -0.41 0.37 0.45 -1.30 0.00 0.00 177.93 176.64 3cma h HIS 177 N -0.18 0.83 -0.10 5.26 3.86 -0.62 -0.69 115.15 123.52 3cma h HIS 177 Ca 0.21 -0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.37 3cma h HIS 177 Cb 0.56 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 28.76 3cma h HIS 177 CO -0.71 0.56 -0.12 -0.22 0.86 0.00 0.00 177.93 178.30 3cma h LYS 178 N 0.87 0.26 -0.32 2.45 3.64 -0.67 -3.16 116.57 119.64 3cma h LYS 178 Ca 0.23 -0.14 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3cma h LYS 178 Cb -0.02 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3cma h LYS 178 CO -0.04 0.69 0.21 0.52 -2.27 0.00 0.00 179.45 178.56 3cma h MET 179 N -0.16 0.41 0.00 1.90 2.86 -0.57 0.43 114.93 119.80 3cma h MET 179 Ca 0.01 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3cma h MET 179 Cb 0.66 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.22 3cma h MET 179 CO 0.03 0.27 0.00 1.17 1.06 0.00 0.00 176.91 179.44 3cma n LYS 180 N -4.49 0.46 -0.28 1.72 4.81 -0.30 -1.66 118.16 118.43 3cma n LYS 180 Ca 0.02 0.01 0.08 0.00 -0.87 0.00 0.00 58.31 57.55 3cma n LYS 180 Cb 0.08 -1.50 0.18 0.00 0.02 0.00 0.00 35.03 33.80 3cma n LYS 180 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3cma n ALA 181 N -1.03 2.78 -2.28 3.14 0.00 0.14 -4.87 120.51 118.39 3cma n ALA 181 Ca 0.11 -2.74 -0.17 0.00 0.00 0.00 0.00 53.44 50.64 3cma n ALA 181 Cb 0.06 -0.45 -0.09 0.00 0.00 0.00 0.00 19.45 18.97 3cma n ALA 181 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3cma s ARG 182 N -2.96 1.59 -1.07 0.00 1.81 -0.66 -4.68 118.95 112.97 3cma s ARG 182 Ca 0.36 -1.89 -0.02 0.00 -1.72 0.00 0.00 55.73 52.46 3cma s ARG 182 Cb 0.32 0.31 0.29 0.00 -0.45 0.00 0.00 34.95 35.42 3cma s ARG 182 CO 0.02 -0.57 1.90 0.41 -0.68 0.00 0.00 175.30 176.38 3cma n GLY 183 N -0.51 6.00 2.95 -3.53 0.00 -1.26 -4.34 105.19 104.49 3cma n GLY 183 Ca 0.06 -2.51 -0.16 0.00 0.00 0.00 0.00 46.02 43.41 3cma n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cma s THR 184 N -3.85 0.44 -0.23 2.61 2.01 -1.26 -4.78 115.64 110.58 3cma s THR 184 Ca 0.41 -0.22 -0.19 0.00 0.31 0.00 0.00 61.69 62.00 3cma s THR 184 Cb 0.19 -0.38 -0.03 0.00 0.01 0.00 0.00 72.50 72.29 3cma s THR 184 CO -0.12 0.13 0.55 -0.75 -0.69 0.00 0.00 174.62 173.74 3cma s LYS 185 N -0.01 4.14 0.02 4.92 2.47 -1.26 -4.87 119.74 125.15 3cma s LYS 185 Ca 0.01 0.43 -0.00 0.00 -1.56 0.00 0.00 55.97 54.84 3cma s LYS 185 Cb -0.03 -3.61 -0.02 0.00 -1.46 0.00 0.00 37.83 32.71 3cma s LYS 185 CO -0.00 -0.26 -0.03 -0.46 0.16 0.00 0.00 175.35 174.76 3cma s TRP 186 N 2.02 0.30 0.00 4.03 -0.00 -1.26 -4.75 118.94 119.27 3cma s TRP 186 Ca 0.24 -0.61 0.00 0.00 -0.00 0.00 0.00 56.10 55.72 3cma s TRP 186 Cb -0.16 -0.22 0.00 0.00 -0.00 0.00 0.00 33.47 33.09 3cma s TRP 186 CO 0.09 -0.22 0.00 -0.35 -0.00 0.00 0.00 176.95 176.47 3cma n PRO 187 N 1.35 0.00 -4.91 5.86 -0.04 -1.26 -5.11 135.00 130.88 3cma n PRO 187 Ca -0.22 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.91 3cma n PRO 187 Cb 0.56 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.86 3cma n PRO 187 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3cma s ASN 188 N -1.17 3.20 -0.23 3.54 0.01 -1.26 -5.11 114.94 113.92 3cma s ASN 188 Ca 0.00 -0.56 -0.11 0.00 -0.71 0.00 0.00 52.86 51.49 3cma s ASN 188 Cb 0.00 -1.45 -0.05 0.00 0.41 0.00 0.00 41.25 40.16 3cma s ASN 188 CO 0.00 0.12 0.16 -0.69 -1.51 0.00 0.00 177.10 175.18 3cma s VAL 189 N 0.58 5.37 0.47 1.60 1.01 -1.26 -5.06 120.40 123.11 3cma s VAL 189 Ca -0.12 0.19 -0.24 0.00 0.00 0.00 0.00 61.98 61.81 3cma s VAL 189 Cb -0.17 -3.50 -0.07 0.00 0.00 0.00 0.00 36.38 32.64 3cma s VAL 189 CO 0.04 0.36 1.38 -0.13 0.00 0.00 0.00 175.10 176.74 3cma s ARG 190 N 0.92 3.58 0.09 2.72 0.52 -1.26 -4.92 118.95 120.59 3cma s ARG 190 Ca 0.08 2.30 -0.30 0.00 -0.52 0.00 0.00 55.73 57.29 3cma s ARG 190 Cb -0.13 -2.55 -0.13 0.00 0.52 0.00 0.00 34.95 32.66 3cma s ARG 190 CO 0.03 -0.86 1.63 0.78 0.02 0.00 0.00 175.30 176.90 3cma h GLY 191 N 2.12 -0.70 0.97 -3.53 0.00 -1.97 -1.49 103.07 98.47 3cma h GLY 191 Ca -0.51 0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3cma h GLY 191 CO 0.60 -0.27 0.46 -2.08 0.00 0.00 0.00 176.54 175.25 3cma h VAL 192 N -0.65 0.00 -0.21 4.60 2.07 -1.92 0.41 116.25 120.55 3cma h VAL 192 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3cma h VAL 192 Cb 0.58 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3cma h VAL 192 CO -0.03 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.56 3cma n ALA 193 N -1.66 2.48 -2.18 1.67 0.00 -0.56 -4.55 120.51 115.70 3cma n ALA 193 Ca -0.01 -0.71 -0.22 0.00 0.00 0.00 0.00 53.44 52.50 3cma n ALA 193 Cb 0.49 -0.97 0.02 0.00 0.00 0.00 0.00 19.45 18.99 3cma n ALA 193 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3cma s MET 194 N -1.74 2.36 0.59 0.00 -1.94 0.14 -4.99 119.30 113.72 3cma s MET 194 Ca 0.35 -1.73 -0.15 0.00 -1.71 0.00 0.00 55.69 52.45 3cma s MET 194 Cb 0.20 -2.43 -0.04 0.00 2.01 0.00 0.00 34.83 34.57 3cma s MET 194 CO 0.30 -0.65 1.05 -0.80 -0.01 0.00 0.00 175.02 174.90 3cma s ASN 195 N -4.44 5.88 0.59 3.03 0.01 -1.26 -1.57 114.94 117.17 3cma s ASN 195 Ca 0.50 1.75 0.29 0.00 -0.71 0.00 0.00 52.86 54.69 3cma s ASN 195 Cb -0.05 -2.52 1.73 0.00 0.41 0.00 0.00 41.25 40.82 3cma s ASN 195 CO 0.31 -1.10 2.16 0.00 -1.51 0.00 0.00 177.10 176.96 3cma h ALA 196 N 0.38 1.68 0.00 0.60 0.00 -1.83 -0.23 119.26 119.86 3cma h ALA 196 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3cma h ALA 196 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3cma h ALA 196 CO 0.58 -0.18 0.00 -0.24 0.00 0.00 0.00 179.25 179.41 3cma h VAL 197 N 0.00 0.00 0.00 0.00 3.04 -1.92 -3.32 116.25 114.05 3cma h VAL 197 Ca 0.05 -0.73 0.00 0.00 -1.01 0.00 0.00 66.70 65.01 3cma h VAL 197 Cb 0.30 1.71 0.00 0.00 -2.01 0.00 0.00 31.29 31.29 3cma h VAL 197 CO -0.00 0.00 -1.18 0.47 -1.01 0.00 0.00 177.57 175.85 3cma n ASP 198 N -2.88 0.79 -3.57 3.17 8.00 -0.11 -1.07 116.55 120.88 3cma n ASP 198 Ca 0.03 -0.74 -0.13 0.00 0.71 0.00 0.00 54.79 54.67 3cma n ASP 198 Cb 0.44 1.23 -0.06 0.00 -0.02 0.00 0.00 41.12 42.70 3cma n ASP 198 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3cma s HIS 199 N -3.01 -0.50 0.57 1.24 2.46 -1.18 -4.42 115.29 110.46 3cma s HIS 199 Ca 0.04 0.94 0.30 0.00 0.47 0.00 0.00 55.06 56.81 3cma s HIS 199 Cb 0.15 0.41 1.44 0.00 -0.13 0.00 0.00 32.58 34.45 3cma s HIS 199 CO 0.83 -0.41 1.84 -1.35 -2.47 0.00 0.00 174.74 173.17 3cma h PRO 200 N 3.07 0.00 -0.18 2.88 0.11 -1.84 0.49 132.00 136.53 3cma h PRO 200 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3cma h PRO 200 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3cma h PRO 200 CO 0.29 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.27 3cma n PHE 201 N -3.86 0.21 -1.10 0.65 0.99 -1.26 -4.59 117.46 108.49 3cma n PHE 201 Ca 0.14 -0.11 -0.30 0.00 -0.00 0.00 0.00 57.45 57.18 3cma n PHE 201 Cb 0.88 0.00 0.25 0.00 -1.00 0.00 0.00 39.48 39.60 3cma n PHE 201 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 3cma s GLY 202 N -1.75 1.60 0.00 1.37 0.00 0.16 -4.03 107.32 104.67 3cma s GLY 202 Ca 0.34 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 43.99 3cma s GLY 202 CO 0.31 -0.14 0.00 0.61 0.00 0.00 0.00 173.10 173.88 3cma n GLY 203 N -1.05 -1.41 1.71 0.20 0.00 -0.61 -4.22 105.19 99.80 3cma n GLY 203 Ca 0.15 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.85 3cma n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cma n GLY 204 N 0.00 -4.93 0.41 -0.02 0.00 -1.26 -4.77 105.19 94.62 3cma n GLY 204 Ca 0.00 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.46 3cma n GLY 204 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cma n GLY 205 N 0.64 -2.54 3.97 -0.02 0.00 -1.26 -4.37 105.19 101.60 3cma n GLY 205 Ca 0.00 1.16 -0.21 0.00 0.00 0.00 0.00 46.02 46.98 3cma n GLY 205 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3cma s ARG 206 N -5.48 3.06 -0.10 1.61 1.70 -1.26 -5.07 118.95 113.41 3cma s ARG 206 Ca -0.12 -0.79 -0.23 0.00 -0.47 0.00 0.00 55.73 54.11 3cma s ARG 206 Cb 0.11 -2.70 -0.03 0.00 -0.57 0.00 0.00 34.95 31.76 3cma s ARG 206 CO 0.60 -0.12 0.72 -0.65 -1.08 0.00 0.00 175.30 174.77 3cma s GLN 207 N -4.36 4.39 -0.30 3.89 -0.21 -1.26 -5.00 119.66 116.81 3cma s GLN 207 Ca 0.47 0.87 -0.23 0.00 0.02 0.00 0.00 55.36 56.49 3cma s GLN 207 Cb -0.10 -3.48 0.19 0.00 1.00 0.00 0.00 33.01 30.62 3cma s GLN 207 CO 0.34 -0.04 1.38 -3.38 -2.12 0.00 0.00 175.29 171.47 3cma s HIS 208 N 1.16 -0.09 0.84 0.91 -3.43 -1.26 -5.10 115.29 108.32 3cma s HIS 208 Ca 0.37 0.22 -0.12 0.00 -0.80 0.00 0.00 55.06 54.73 3cma s HIS 208 Cb -0.17 0.40 0.10 0.00 -1.43 0.00 0.00 32.58 31.48 3cma s HIS 208 CO 0.16 -0.05 1.17 -1.25 -2.00 0.00 0.00 174.74 172.78 3cma s PRO 209 N 0.23 1.49 0.28 -0.38 0.04 -1.26 -4.92 135.00 130.48 3cma s PRO 209 Ca 0.04 1.63 0.21 0.00 0.04 0.00 0.00 61.00 62.92 3cma s PRO 209 Cb -0.05 -1.77 0.11 0.00 0.04 0.00 0.00 34.50 32.83 3cma s PRO 209 CO -0.14 -2.30 1.26 0.78 0.04 0.00 0.00 177.00 176.64 3cma h GLY 210 N -1.24 0.00 0.00 0.56 0.00 -1.84 -3.48 103.07 97.07 3cma h GLY 210 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3cma h GLY 210 CO 0.45 0.00 0.00 0.28 0.00 0.00 0.00 176.54 177.27 3cma n LYS 211 N -2.91 0.45 -2.47 4.80 5.02 -1.26 -5.14 118.16 116.65 3cma n LYS 211 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 3cma n LYS 211 Cb 0.60 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.57 3cma n LYS 211 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3cma s PRO 212 N -1.90 3.83 0.10 1.97 0.04 -1.26 -4.96 135.00 132.82 3cma s PRO 212 Ca 0.00 1.19 0.27 0.00 0.04 0.00 0.00 61.00 62.50 3cma s PRO 212 Cb 0.00 -2.11 1.00 0.00 0.04 0.00 0.00 34.50 33.43 3cma s PRO 212 CO 0.00 -0.38 1.83 1.63 0.04 0.00 0.00 177.00 180.12 3cma n LYS 213 N -1.25 0.13 -2.62 4.56 5.02 -1.26 -4.72 118.16 118.03 3cma n LYS 213 Ca 0.08 0.10 -0.42 0.00 -2.02 0.00 0.00 58.31 56.05 3cma n LYS 213 Cb 0.53 -1.65 -0.03 0.00 -0.02 0.00 0.00 35.03 33.86 3cma n LYS 213 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3cma s SER 214 N -3.76 6.34 0.10 4.39 0.01 -1.26 0.22 113.70 119.74 3cma s SER 214 Ca 0.12 -0.16 -0.02 0.00 1.31 0.00 0.00 55.95 57.21 3cma s SER 214 Cb 0.16 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.81 3cma s SER 214 CO 0.57 -1.55 0.28 -0.51 0.41 0.00 0.00 173.24 172.43 3cma s ILE 215 N 5.02 5.30 0.54 1.44 1.10 -0.70 -4.93 121.20 128.98 3cma s ILE 215 Ca 0.38 -0.26 -0.18 0.00 -0.51 0.00 0.00 60.65 60.09 3cma s ILE 215 Cb -0.09 -3.64 -0.06 0.00 0.15 0.00 0.00 42.46 38.83 3cma s ILE 215 CO 0.21 0.08 1.05 -0.55 -2.11 0.00 0.00 174.94 173.62 3cma s SER 216 N -2.54 6.05 0.46 4.50 0.15 -1.26 -0.19 113.70 120.87 3cma s SER 216 Ca 0.37 1.88 0.12 0.00 0.70 0.00 0.00 55.95 59.02 3cma s SER 216 Cb -0.13 -2.55 1.07 0.00 -1.71 0.00 0.00 66.02 62.71 3cma s SER 216 CO 0.27 -0.98 2.09 0.03 1.20 0.00 0.00 173.24 175.85 3cma h ARG 217 N 1.00 0.27 -0.00 5.44 2.47 -1.95 -2.15 114.38 119.46 3cma h ARG 217 Ca -0.48 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.22 3cma h ARG 217 Cb 1.22 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.48 3cma h ARG 217 CO 0.58 0.18 -0.04 0.09 0.56 0.00 0.00 179.97 181.35 3cma n ASN 218 N -4.50 0.14 -4.75 7.04 3.02 -1.26 -4.88 115.26 110.08 3cma n ASN 218 Ca 0.01 -0.33 -0.42 0.00 -0.03 0.00 0.00 54.58 53.81 3cma n ASN 218 Cb 0.11 -0.20 -0.01 0.00 -0.61 0.00 0.00 39.78 39.07 3cma n ASN 218 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cma n ALA 219 N -1.17 2.57 -1.16 5.41 0.00 -0.81 -4.96 120.51 120.39 3cma n ALA 219 Ca 0.15 0.37 -0.31 0.00 0.00 0.00 0.00 53.44 53.65 3cma n ALA 219 Cb 0.24 -2.46 0.10 0.00 0.00 0.00 0.00 19.45 17.33 3cma n ALA 219 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3cma s PRO 220 N -0.63 2.03 0.13 0.00 0.04 -1.26 -4.56 135.00 130.74 3cma s PRO 220 Ca 0.63 1.29 -0.31 0.00 0.04 0.00 0.00 61.00 62.65 3cma s PRO 220 Cb -0.49 -1.86 -0.08 0.00 0.04 0.00 0.00 34.50 32.10 3cma s PRO 220 CO 0.50 -1.83 1.44 -1.25 0.04 0.00 0.00 177.00 175.90 3cma s PRO 221 N -4.75 4.29 0.00 0.56 0.04 -1.26 -1.35 135.00 132.53 3cma s PRO 221 Ca 0.63 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.83 3cma s PRO 221 Cb -0.19 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.12 3cma s PRO 221 CO 0.55 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 177.51 3cma n GLY 222 N 3.58 2.08 0.01 0.56 0.00 -1.26 -4.82 105.19 105.34 3cma n GLY 222 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3cma n GLY 222 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3cma n ARG 223 N -0.16 1.52 -2.45 1.61 0.63 -0.46 -4.70 116.66 112.66 3cma n ARG 223 Ca 0.00 -0.02 -0.39 0.00 -0.92 0.00 0.00 57.85 56.53 3cma n ARG 223 Cb 0.00 -1.07 -0.02 0.00 0.45 0.00 0.00 32.46 31.82 3cma n ARG 223 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3cma s LYS 224 N -2.15 3.55 0.24 -0.14 2.20 -0.76 -4.90 119.74 117.78 3cma s LYS 224 Ca -0.01 -1.61 0.03 0.00 -0.36 0.00 0.00 55.97 54.01 3cma s LYS 224 Cb 0.01 -5.43 -0.05 0.00 -1.51 0.00 0.00 37.83 30.85 3cma s LYS 224 CO 0.12 -2.67 0.02 0.14 -0.36 0.00 0.00 175.35 172.60 3cma s VAL 225 N 6.04 0.91 0.00 4.02 -7.23 -1.26 -5.00 120.40 117.87 3cma s VAL 225 Ca 0.57 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 3cma s VAL 225 Cb 0.02 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.55 3cma s VAL 225 CO 0.06 -0.26 0.00 0.61 -0.31 0.00 0.00 175.10 175.20 3cma n GLY 226 N -0.42 0.84 3.37 2.32 0.00 -1.26 -4.52 105.19 105.51 3cma n GLY 226 Ca -0.04 -0.72 -0.46 0.00 0.00 0.00 0.00 46.02 44.80 3cma n GLY 226 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cma s ASP 227 N -4.00 6.80 0.01 1.61 1.01 0.13 -4.98 116.67 117.25 3cma s ASP 227 Ca 0.00 -2.62 -0.30 0.00 0.71 0.00 0.00 52.55 50.34 3cma s ASP 227 Cb 0.00 -2.27 -0.09 0.00 1.01 0.00 0.00 42.92 41.58 3cma s ASP 227 CO 0.00 -0.68 2.00 -0.63 0.21 0.00 0.00 175.17 176.07 3cma s ILE 228 N 0.74 3.01 -1.30 0.77 1.01 -1.26 -1.73 121.20 122.44 3cma s ILE 228 Ca 0.24 0.01 -0.16 0.00 0.00 0.00 0.00 60.65 60.74 3cma s ILE 228 Cb -0.08 -3.01 0.16 0.00 0.01 0.00 0.00 42.46 39.54 3cma s ILE 228 CO -0.09 -0.00 0.43 0.00 0.00 0.00 0.00 174.94 175.28 3cma n ALA 229 N 7.98 -1.14 -1.66 9.38 0.00 0.73 -4.79 120.51 131.00 3cma n ALA 229 Ca 0.21 -0.12 -0.49 0.00 0.00 0.00 0.00 53.44 53.03 3cma n ALA 229 Cb 0.41 -1.99 -0.05 0.00 0.00 0.00 0.00 19.45 17.82 3cma n ALA 229 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3cma n SER 230 N -2.18 2.86 0.23 0.00 3.41 -1.20 -4.82 113.62 111.92 3cma n SER 230 Ca 0.08 1.05 0.15 0.00 -0.26 0.00 0.00 58.87 59.89 3cma n SER 230 Cb 0.47 -1.33 0.45 0.00 -0.26 0.00 0.00 64.21 63.54 3cma n SER 230 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3cma h LYS 231 N 6.87 0.00 -1.90 4.33 1.57 -1.95 -3.47 116.57 122.02 3cma h LYS 231 Ca -0.47 0.00 0.35 0.00 -1.87 0.00 0.00 60.65 58.66 3cma h LYS 231 Cb 1.28 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.51 3cma h LYS 231 CO 0.90 0.00 0.91 -0.98 -0.57 0.00 0.00 179.45 179.70 3cma s ARG 232 N -3.43 0.33 0.36 3.15 1.70 -1.26 -5.20 118.95 114.60 3cma s ARG 232 Ca 0.04 -0.21 0.02 0.00 -0.47 0.00 0.00 55.73 55.11 3cma s ARG 232 Cb 0.08 0.10 -0.01 0.00 -0.57 0.00 0.00 34.95 34.55 3cma s ARG 232 CO 0.59 -0.15 0.43 0.95 -1.08 0.00 0.00 175.30 176.03 3cma s THR 233 N -2.10 0.00 0.00 4.99 -4.23 -1.26 -5.13 115.64 107.92 3cma s THR 233 Ca 0.26 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 59.04 3cma s THR 233 Cb 0.01 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 71.22 3cma s THR 233 CO -0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 3cma n GLY 234 N -0.62 -1.11 0.19 3.99 0.00 -1.26 -4.80 105.19 101.58 3cma n GLY 234 Ca 0.03 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.82 3cma n GLY 234 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cma n ARG 235 N 0.00 0.00 -2.06 1.61 1.74 -1.26 -5.08 116.66 111.61 3cma n ARG 235 Ca 0.00 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 3cma n ARG 235 Cb 0.00 -0.72 0.00 0.00 -1.02 0.00 0.00 32.46 30.72 3cma n ARG 235 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3cma s GLY 236 N -3.75 1.94 0.00 -0.13 0.00 -1.26 -5.29 107.32 98.82 3cma s GLY 236 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.89 3cma s GLY 236 CO 0.00 0.47 0.00 0.61 0.00 0.00 0.00 173.10 174.18