#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cma s GLN 2 N 0.00 1.95 -0.04 2.12 1.03 -1.26 0.72 119.66 124.18 3cma s GLN 2 Ca 0.00 -1.11 0.03 0.00 0.04 0.00 0.00 55.36 54.31 3cma s GLN 2 Cb 0.00 -2.20 0.01 0.00 0.03 0.00 0.00 33.01 30.84 3cma s GLN 2 CO 0.00 0.49 -0.10 0.00 -2.54 0.00 0.00 175.29 173.14 3cma s ALA 3 N -1.20 1.02 0.01 2.60 0.00 0.41 -4.70 121.76 119.89 3cma s ALA 3 Ca 0.20 -0.37 -0.30 0.00 0.00 0.00 0.00 51.96 51.49 3cma s ALA 3 Cb -0.11 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 3cma s ALA 3 CO 0.12 0.14 1.05 0.99 0.00 0.00 0.00 175.76 178.06 3cma s THR 4 N 0.34 4.61 0.19 0.00 2.01 -1.26 -0.59 115.64 120.94 3cma s THR 4 Ca -0.07 1.87 -0.09 0.00 0.31 0.00 0.00 61.69 63.72 3cma s THR 4 Cb -0.11 -4.20 -0.07 0.00 0.01 0.00 0.00 72.50 68.13 3cma s THR 4 CO 0.01 0.13 0.50 -0.63 -0.69 0.00 0.00 174.62 173.95 3cma s ILE 5 N 1.11 4.99 0.01 1.82 1.01 -1.10 -4.09 121.20 124.95 3cma s ILE 5 Ca 0.54 0.42 0.06 0.00 0.00 0.00 0.00 60.65 61.67 3cma s ILE 5 Cb -0.23 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.58 3cma s ILE 5 CO 0.28 0.03 -0.17 -0.31 0.00 0.00 0.00 174.94 174.76 3cma s TYR 6 N -1.70 1.55 0.42 3.97 1.51 -0.24 -1.36 117.35 121.50 3cma s TYR 6 Ca 0.43 -0.32 -0.05 0.00 -1.01 0.00 0.00 57.07 56.13 3cma s TYR 6 Cb -0.12 -0.97 -0.04 0.00 -0.11 0.00 0.00 41.96 40.72 3cma s TYR 6 CO 0.21 0.01 0.72 0.16 -1.11 0.00 0.00 175.55 175.54 3cma s ASP 7 N -0.67 6.34 0.01 2.29 -4.77 -0.34 -0.45 116.67 119.07 3cma s ASP 7 Ca 0.06 0.86 0.00 0.00 -3.30 0.00 0.00 52.55 50.18 3cma s ASP 7 Cb -0.07 -2.21 0.02 0.00 -1.09 0.00 0.00 42.92 39.57 3cma s ASP 7 CO 0.00 -0.45 0.77 0.18 0.70 0.00 0.00 175.17 176.37 3cma n LEU 8 N -1.84 0.01 0.08 2.11 4.77 -1.26 0.19 117.00 121.05 3cma n LEU 8 Ca -0.00 0.27 0.12 0.00 -0.03 0.00 0.00 56.01 56.37 3cma n LEU 8 Cb 0.55 -0.26 0.20 0.00 -2.33 0.00 0.00 43.42 41.57 3cma n LEU 8 CO 0.51 -0.27 0.42 0.44 -1.33 0.00 0.00 177.39 177.16 3cma h ASP 9 N 0.00 0.00 0.00 -1.43 3.32 -1.98 -3.44 116.42 112.89 3cma h ASP 9 Ca 0.00 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.89 3cma h ASP 9 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 3cma h ASP 9 CO 0.00 0.08 0.00 0.61 -1.72 0.00 0.00 179.24 178.21 3cma n GLY 10 N 1.31 0.72 3.87 2.75 0.00 0.50 -4.90 105.19 109.44 3cma n GLY 10 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3cma n GLY 10 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3cma s ASN 11 N -2.62 6.66 0.77 1.61 0.01 -1.24 -4.80 114.94 115.33 3cma s ASN 11 Ca 0.00 1.00 -0.14 0.00 -0.71 0.00 0.00 52.86 53.00 3cma s ASN 11 Cb 0.00 -2.26 0.06 0.00 0.41 0.00 0.00 41.25 39.47 3cma s ASN 11 CO 0.00 -0.10 1.22 0.42 -1.51 0.00 0.00 177.10 177.13 3cma s THR 12 N -1.84 2.08 -0.45 1.60 -4.23 -1.26 -1.20 115.64 110.33 3cma s THR 12 Ca 0.49 0.04 0.07 0.00 -1.18 0.00 0.00 61.69 61.10 3cma s THR 12 Cb -0.11 -2.55 0.32 0.00 1.34 0.00 0.00 72.50 71.51 3cma s THR 12 CO 0.20 -0.02 1.07 -0.67 -0.54 0.00 0.00 174.62 174.66 3cma n ASP 13 N -3.03 -1.92 0.00 3.99 -0.08 -0.47 -4.69 116.55 110.35 3cma n ASP 13 Ca 0.14 -3.61 0.00 0.00 -1.51 0.00 0.00 54.79 49.81 3cma n ASP 13 Cb 0.50 1.59 0.00 0.00 2.34 0.00 0.00 41.12 45.55 3cma n ASP 13 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3cma n GLY 14 N 0.34 -1.22 3.63 0.27 0.00 -1.26 -4.68 105.19 102.27 3cma n GLY 14 Ca 0.08 -1.59 -0.03 0.00 0.00 0.00 0.00 46.02 44.49 3cma n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3cma s GLU 15 N 0.00 0.10 0.29 1.61 -1.05 -1.26 -2.72 118.70 115.66 3cma s GLU 15 Ca 0.00 -0.03 0.05 0.00 -0.15 0.00 0.00 54.97 54.84 3cma s GLU 15 Cb 0.00 0.04 -0.06 0.00 -0.44 0.00 0.00 34.13 33.68 3cma s GLU 15 CO 0.00 -0.04 0.01 0.14 0.95 0.00 0.00 175.26 176.32 3cma s VAL 16 N -1.92 1.28 0.01 1.83 -7.23 0.25 -4.90 120.40 109.72 3cma s VAL 16 Ca 0.11 -2.04 -0.30 0.00 -1.81 0.00 0.00 61.98 57.93 3cma s VAL 16 Cb -0.01 -2.57 -0.05 0.00 0.56 0.00 0.00 36.38 34.31 3cma s VAL 16 CO -0.04 -0.17 1.18 -1.81 -0.31 0.00 0.00 175.10 173.95 3cma s ASP 17 N -3.43 7.09 -0.31 4.85 1.01 -1.26 0.15 116.67 124.78 3cma s ASP 17 Ca 0.32 1.91 -0.29 0.00 0.71 0.00 0.00 52.55 55.20 3cma s ASP 17 Cb 0.06 -2.57 0.01 0.00 1.01 0.00 0.00 42.92 41.43 3cma s ASP 17 CO 0.13 -0.49 1.19 -0.22 0.21 0.00 0.00 175.17 175.98 3cma s LEU 18 N 1.49 3.91 0.64 1.23 2.96 0.22 -4.82 118.68 124.31 3cma s LEU 18 Ca 0.57 1.14 -0.17 0.00 -0.22 0.00 0.00 54.13 55.45 3cma s LEU 18 Cb -0.27 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.82 3cma s LEU 18 CO 0.26 -0.98 0.63 -0.81 -1.32 0.00 0.00 176.35 174.14 3cma n PRO 19 N 7.09 0.51 -0.32 0.98 -0.04 -1.26 -3.43 135.00 138.53 3cma n PRO 19 Ca 0.13 0.21 0.15 0.00 -0.04 0.00 0.00 63.50 63.95 3cma n PRO 19 Cb 0.47 -1.86 0.34 0.00 -0.04 0.00 0.00 33.50 32.41 3cma n PRO 19 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3cma h ASP 20 N 0.04 0.44 -0.92 3.54 3.32 -1.93 -2.30 116.42 118.61 3cma h ASP 20 Ca -0.46 0.15 0.25 0.00 0.02 0.00 0.00 57.03 56.99 3cma h ASP 20 Cb 1.37 0.10 -0.14 0.00 0.22 0.00 0.00 39.33 40.89 3cma h ASP 20 CO 0.46 0.02 0.39 -0.37 -1.72 0.00 0.00 179.24 178.02 3cma h VAL 21 N 0.45 0.39 0.00 -1.35 -1.51 -1.90 0.93 116.25 113.26 3cma h VAL 21 Ca 0.59 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.95 3cma h VAL 21 Cb 1.14 0.03 0.00 0.00 -2.13 0.00 0.00 31.29 30.33 3cma h VAL 21 CO -0.52 0.06 0.00 0.49 -1.23 0.00 0.00 177.57 176.37 3cma n PHE 22 N -5.10 0.00 1.00 5.19 3.01 -0.87 0.73 117.46 121.43 3cma n PHE 22 Ca 0.24 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.81 3cma n PHE 22 Cb 0.74 -0.10 -0.06 0.00 -0.01 0.00 0.00 39.48 40.05 3cma n PHE 22 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3cma n GLU 23 N -1.10 0.66 -1.66 -1.08 1.02 0.32 -4.62 120.64 114.19 3cma n GLU 23 Ca 0.02 -0.55 -0.45 0.00 -0.02 0.00 0.00 57.16 56.17 3cma n GLU 23 Cb 0.02 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 29.93 3cma n GLU 23 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3cma n THR 24 N -0.69 1.24 -2.11 2.62 -1.04 0.22 -4.88 114.28 109.64 3cma n THR 24 Ca 0.07 -0.31 -0.42 0.00 -2.04 0.00 0.00 64.05 61.35 3cma n THR 24 Cb 0.41 -1.39 -0.03 0.00 -1.82 0.00 0.00 70.33 67.49 3cma n THR 24 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3cma s PRO 25 N -0.79 4.27 0.11 -2.82 0.04 -1.26 -4.75 135.00 129.81 3cma s PRO 25 Ca 0.65 2.13 -0.31 0.00 0.04 0.00 0.00 61.00 63.52 3cma s PRO 25 Cb -0.66 -3.39 -0.10 0.00 0.04 0.00 0.00 34.50 30.40 3cma s PRO 25 CO 0.53 -0.55 1.72 0.08 0.04 0.00 0.00 177.00 178.82 3cma s VAL 26 N 1.73 2.73 -0.50 -0.36 1.01 -1.26 -4.81 120.40 118.94 3cma s VAL 26 Ca 0.67 0.28 0.03 0.00 0.00 0.00 0.00 61.98 62.96 3cma s VAL 26 Cb -0.37 -3.18 0.16 0.00 0.00 0.00 0.00 36.38 32.99 3cma s VAL 26 CO 0.30 0.00 0.35 -0.60 0.00 0.00 0.00 175.10 175.15 3cma s ARG 27 N 2.42 1.43 0.56 2.72 3.52 -1.26 -4.98 118.95 123.36 3cma s ARG 27 Ca 0.76 -2.39 0.26 0.00 -0.13 0.00 0.00 55.73 54.24 3cma s ARG 27 Cb -0.43 -2.24 1.49 0.00 -1.56 0.00 0.00 34.95 32.21 3cma s ARG 27 CO 0.34 -1.28 2.03 0.66 -0.81 0.00 0.00 175.30 176.23 3cma h SER 28 N 5.96 0.00 0.43 -2.12 4.64 -1.93 -1.41 113.55 119.12 3cma h SER 28 Ca 0.14 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.44 3cma h SER 28 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 3cma h SER 28 CO 0.49 0.00 -0.21 -2.24 -0.87 0.00 0.00 176.83 174.01 3cma h ASP 29 N 0.00 -0.49 -0.95 4.97 2.03 -1.93 0.14 116.42 120.19 3cma h ASP 29 Ca 0.17 -0.10 0.12 0.00 -0.73 0.00 0.00 57.03 56.49 3cma h ASP 29 Cb 0.79 0.13 -0.09 0.00 -0.83 0.00 0.00 39.33 39.33 3cma h ASP 29 CO -0.00 -0.11 0.58 -0.07 -1.03 0.00 0.00 179.24 178.60 3cma h LEU 30 N -0.94 0.83 -0.62 0.15 3.38 -1.82 0.00 115.31 116.30 3cma h LEU 30 Ca -0.06 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3cma h LEU 30 Cb 0.57 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3cma h LEU 30 CO 0.10 0.43 0.25 0.40 0.09 0.00 0.00 178.44 179.71 3cma h ILE 31 N 0.90 1.23 -0.34 1.22 2.04 -1.16 -1.45 117.51 119.95 3cma h ILE 31 Ca 0.48 -0.71 -0.06 0.00 1.00 0.00 0.00 64.86 65.58 3cma h ILE 31 Cb 0.51 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 3cma h ILE 31 CO -0.28 0.28 -0.04 1.23 0.00 0.00 0.00 178.15 179.33 3cma h GLY 32 N 0.86 0.58 1.09 5.37 0.00 0.11 -1.44 103.07 109.63 3cma h GLY 32 Ca 0.21 -0.37 -0.13 0.00 0.00 0.00 0.00 47.33 47.05 3cma h GLY 32 CO -0.02 0.34 -0.19 1.70 0.00 0.00 0.00 176.54 178.37 3cma h LYS 33 N 0.51 0.98 -0.52 4.80 3.64 -0.73 -1.15 116.57 124.09 3cma h LYS 33 Ca 0.10 -0.41 -0.02 0.00 -1.27 0.00 0.00 60.65 59.06 3cma h LYS 33 Cb 0.40 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 3cma h LYS 33 CO 0.02 1.08 0.26 0.00 -2.27 0.00 0.00 179.45 178.54 3cma h ALA 34 N 0.87 0.68 -0.26 5.00 0.00 -0.77 -2.60 119.26 122.18 3cma h ALA 34 Ca 0.11 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 3cma h ALA 34 Cb 0.76 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3cma h ALA 34 CO 0.06 0.23 -0.51 0.28 0.00 0.00 0.00 179.25 179.31 3cma h VAL 35 N 0.70 1.29 -0.75 0.00 2.07 -1.21 -2.89 116.25 115.46 3cma h VAL 35 Ca 0.18 -1.70 0.11 0.00 0.82 0.00 0.00 66.70 66.11 3cma h VAL 35 Cb 0.10 1.72 -0.08 0.00 -1.52 0.00 0.00 31.29 31.51 3cma h VAL 35 CO -0.02 0.55 0.37 -0.09 0.02 0.00 0.00 177.57 178.39 3cma h ARG 36 N 0.55 0.58 0.17 1.57 2.43 -1.12 -1.91 114.38 116.65 3cma h ARG 36 Ca 0.01 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3cma h ARG 36 Cb 1.12 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 3cma h ARG 36 CO 0.11 0.38 -0.08 0.00 -1.51 0.00 0.00 179.97 178.87 3cma h ALA 37 N 1.47 -0.23 -0.48 2.80 0.00 -1.44 -1.83 119.26 119.54 3cma h ALA 37 Ca 0.38 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.23 3cma h ALA 37 Cb 0.46 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.24 3cma h ALA 37 CO -0.30 -0.48 -0.17 0.00 0.00 0.00 0.00 179.25 178.30 3cma h ALA 38 N 0.23 0.24 -0.26 0.00 0.00 -1.26 0.13 119.26 118.34 3cma h ALA 38 Ca -0.02 0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3cma h ALA 38 Cb 0.40 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3cma h ALA 38 CO 0.04 -0.50 0.13 1.96 0.00 0.00 0.00 179.25 180.88 3cma h GLN 39 N -0.06 0.27 -0.35 0.00 4.20 -1.35 -2.82 115.11 115.00 3cma h GLN 39 Ca 0.23 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.92 3cma h GLN 39 Cb 0.41 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 3cma h GLN 39 CO -0.53 0.18 0.18 0.00 -0.67 0.00 0.00 178.83 177.99 3cma h ALA 40 N 1.13 0.45 0.00 3.87 0.00 -0.46 -2.87 119.26 121.39 3cma h ALA 40 Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3cma h ALA 40 Cb 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3cma h ALA 40 CO -0.07 -0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.27 3cma n ASN 41 N -4.75 0.34 -0.32 0.00 3.02 0.38 -1.30 115.26 112.63 3cma n ASN 41 Ca -0.01 0.66 0.10 0.00 -0.03 0.00 0.00 54.58 55.30 3cma n ASN 41 Cb 0.09 -0.70 -0.04 0.00 -0.61 0.00 0.00 39.78 38.53 3cma n ASN 41 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 3cma n ARG 42 N -1.95 1.04 -2.17 3.52 1.85 -1.08 -4.96 116.66 112.90 3cma n ARG 42 Ca -0.01 -0.65 -0.40 0.00 -1.00 0.00 0.00 57.85 55.78 3cma n ARG 42 Cb 0.02 -1.43 -0.02 0.00 -1.05 0.00 0.00 32.46 29.98 3cma n ARG 42 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 3cma s LYS 43 N -2.52 4.37 0.23 2.89 3.01 -0.42 -5.01 119.74 122.29 3cma s LYS 43 Ca 0.14 2.14 -0.12 0.00 -1.01 0.00 0.00 55.97 57.12 3cma s LYS 43 Cb 0.16 -3.06 -0.07 0.00 -1.01 0.00 0.00 37.83 33.85 3cma s LYS 43 CO 0.63 -0.15 0.58 -0.65 0.51 0.00 0.00 175.35 176.27 3cma s GLN 44 N -1.78 3.88 0.72 1.68 -0.21 -1.26 -4.99 119.66 117.70 3cma s GLN 44 Ca 0.49 0.40 -0.13 0.00 0.02 0.00 0.00 55.36 56.13 3cma s GLN 44 Cb -0.38 -2.68 0.03 0.00 1.00 0.00 0.00 33.01 30.98 3cma s GLN 44 CO 0.50 0.33 1.13 -0.51 -2.12 0.00 0.00 175.29 174.62 3cma s ASP 45 N -2.19 4.60 0.18 5.90 -0.00 -1.26 -5.04 116.67 118.86 3cma s ASP 45 Ca 0.46 2.04 -0.08 0.00 -0.00 0.00 0.00 52.55 54.98 3cma s ASP 45 Cb -0.12 -2.55 0.03 0.00 -0.00 0.00 0.00 42.92 40.28 3cma s ASP 45 CO 0.20 -1.97 0.41 0.00 -0.00 0.00 0.00 175.17 173.81 3cma n TYR 46 N -2.89 -1.55 0.00 4.23 0.18 -1.26 -5.04 117.16 110.83 3cma n TYR 46 Ca 0.11 -0.87 0.00 0.00 1.88 0.00 0.00 57.90 59.02 3cma n TYR 46 Cb 0.52 0.43 0.00 0.00 -0.38 0.00 0.00 39.34 39.91 3cma n TYR 46 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3cma n GLY 47 N -0.28 4.35 3.77 -7.48 0.00 -1.26 -1.67 105.19 102.63 3cma n GLY 47 Ca -0.04 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.63 3cma n GLY 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cma s SER 48 N 0.00 4.56 0.10 1.61 1.04 -1.22 -4.87 113.70 114.91 3cma s SER 48 Ca 0.00 1.72 -0.35 0.00 0.48 0.00 0.00 55.95 57.80 3cma s SER 48 Cb 0.00 -2.45 -0.14 0.00 0.10 0.00 0.00 66.02 63.52 3cma s SER 48 CO 0.00 -1.99 1.56 -0.67 0.98 0.00 0.00 173.24 173.12 3cma n ASP 49 N -3.48 2.73 -0.04 7.02 -0.08 -1.26 -4.85 116.55 116.59 3cma n ASP 49 Ca 0.08 1.08 0.05 0.00 -1.51 0.00 0.00 54.79 54.49 3cma n ASP 49 Cb 0.53 -1.35 0.42 0.00 2.34 0.00 0.00 41.12 43.06 3cma n ASP 49 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 3cma h GLU 50 N 6.00 0.57 -0.14 -0.67 5.08 -1.98 -2.20 114.58 121.23 3cma h GLU 50 Ca -0.46 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 3cma h GLU 50 Cb 1.28 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3cma h GLU 50 CO 0.87 0.38 0.00 0.66 -1.00 0.00 0.00 179.01 179.91 3cma n TYR 51 N -4.47 0.17 -1.66 4.33 4.02 -1.26 -4.92 117.16 113.36 3cma n TYR 51 Ca 0.05 -0.08 -0.49 0.00 -0.01 0.00 0.00 57.90 57.37 3cma n TYR 51 Cb 0.11 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.39 3cma n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3cma n ALA 52 N 0.84 0.69 -0.03 -0.72 0.00 -0.83 -0.35 120.51 120.10 3cma n ALA 52 Ca 0.17 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.02 3cma n ALA 52 Cb 0.47 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.59 3cma n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cma n GLY 53 N 3.57 2.60 0.72 0.00 0.00 -1.26 -4.29 105.19 106.53 3cma n GLY 53 Ca 0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.34 3cma n GLY 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3cma n LEU 54 N 0.00 2.31 -3.68 0.99 4.77 0.52 -3.81 117.00 118.10 3cma n LEU 54 Ca 0.00 -0.77 -0.41 0.00 -0.03 0.00 0.00 56.01 54.79 3cma n LEU 54 Cb 0.00 -0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3cma n LEU 54 CO 0.00 0.39 2.29 0.54 -1.33 0.00 0.00 177.39 179.28 3cma n ARG 55 N 0.74 3.88 -3.48 3.23 1.74 -1.23 -4.88 116.66 116.66 3cma n ARG 55 Ca 0.15 -3.31 -0.15 0.00 -0.77 0.00 0.00 57.85 53.77 3cma n ARG 55 Cb 0.49 -2.85 -0.04 0.00 -1.02 0.00 0.00 32.46 29.04 3cma n ARG 55 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 3cma s THR 56 N 0.28 0.00 -2.05 0.55 -1.32 -1.26 -5.03 115.64 106.81 3cma s THR 56 Ca 0.47 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 61.17 3cma s THR 56 Cb 0.14 -1.00 0.60 0.00 -1.51 0.00 0.00 72.50 70.72 3cma s THR 56 CO -0.04 0.00 1.51 -0.81 -2.21 0.00 0.00 174.62 173.07 3cma n PRO 57 N 0.40 2.61 -1.22 7.08 -0.04 -1.26 -5.00 135.00 137.57 3cma n PRO 57 Ca -0.18 -2.49 -0.45 0.00 -0.04 0.00 0.00 63.50 60.34 3cma n PRO 57 Cb 0.60 -1.54 -0.04 0.00 -0.04 0.00 0.00 33.50 32.48 3cma n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3cma n ALA 58 N 1.54 -2.84 -2.32 0.55 0.00 -1.26 -4.97 120.51 111.20 3cma n ALA 58 Ca 0.23 0.43 -0.17 0.00 0.00 0.00 0.00 53.44 53.93 3cma n ALA 58 Cb 0.59 -1.42 -0.10 0.00 0.00 0.00 0.00 19.45 18.52 3cma n ALA 58 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3cma s GLU 59 N -0.49 1.30 -0.13 0.00 2.12 -0.95 -4.71 118.70 115.84 3cma s GLU 59 Ca 0.64 -1.63 -0.07 0.00 0.36 0.00 0.00 54.97 54.27 3cma s GLU 59 Cb -0.91 -0.71 -0.04 0.00 0.26 0.00 0.00 34.13 32.72 3cma s GLU 59 CO 0.48 -0.02 0.13 0.45 -0.54 0.00 0.00 175.26 175.75 3cma s SER 60 N -3.29 6.26 0.25 -1.70 0.15 -1.26 -0.16 113.70 113.94 3cma s SER 60 Ca 0.25 0.40 0.25 0.00 0.70 0.00 0.00 55.95 57.55 3cma s SER 60 Cb 0.04 -2.03 0.91 0.00 -1.71 0.00 0.00 66.02 63.23 3cma s SER 60 CO 0.07 0.36 1.75 0.49 1.20 0.00 0.00 173.24 177.11 3cma n PHE 61 N 2.29 0.91 -4.30 3.44 3.01 -1.26 -5.00 117.46 116.56 3cma n PHE 61 Ca -0.19 0.31 0.00 0.00 1.01 0.00 0.00 57.45 58.58 3cma n PHE 61 Cb 0.54 -1.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.01 3cma n PHE 61 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3cma n GLY 62 N 0.60 -0.20 3.85 1.37 0.00 -1.26 -4.81 105.19 104.73 3cma n GLY 62 Ca 0.04 -1.02 -0.31 0.00 0.00 0.00 0.00 46.02 44.72 3cma n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cma s SER 63 N -4.00 5.94 0.00 1.61 0.01 -1.26 -4.61 113.70 111.39 3cma s SER 63 Ca 0.00 1.50 0.00 0.00 1.31 0.00 0.00 55.95 58.76 3cma s SER 63 Cb 0.00 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.75 3cma s SER 63 CO 0.00 -1.06 0.00 0.61 0.41 0.00 0.00 173.24 173.20 3cma n GLY 64 N -2.40 1.97 1.37 3.44 0.00 -1.26 -4.99 105.19 103.33 3cma n GLY 64 Ca 0.07 -0.36 -0.04 0.00 0.00 0.00 0.00 46.02 45.69 3cma n GLY 64 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3cma n ARG 65 N 0.00 2.01 -3.43 1.61 1.85 -1.26 -4.94 116.66 112.50 3cma n ARG 65 Ca 0.00 -3.41 -0.25 0.00 -1.00 0.00 0.00 57.85 53.19 3cma n ARG 65 Cb 0.00 -1.60 0.02 0.00 -1.05 0.00 0.00 32.46 29.83 3cma n ARG 65 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3cma n GLY 66 N -0.72 -0.50 3.34 2.89 0.00 -1.26 -4.95 105.19 103.98 3cma n GLY 66 Ca 0.24 0.14 -0.30 0.00 0.00 0.00 0.00 46.02 46.10 3cma n GLY 66 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3cma s GLN 67 N -6.11 1.80 0.32 1.61 2.00 -1.26 -5.11 119.66 112.91 3cma s GLN 67 Ca 0.46 -1.09 -0.28 0.00 -2.00 0.00 0.00 55.36 52.44 3cma s GLN 67 Cb -0.23 -1.96 -0.09 0.00 0.80 0.00 0.00 33.01 31.53 3cma s GLN 67 CO 0.56 0.51 1.12 0.00 -0.50 0.00 0.00 175.29 176.99 3cma s ALA 68 N -0.79 3.34 -1.12 1.58 0.00 -1.26 -4.82 121.76 118.69 3cma s ALA 68 Ca 0.11 0.92 -0.24 0.00 0.00 0.00 0.00 51.96 52.75 3cma s ALA 68 Cb -0.10 -3.34 -0.13 0.00 0.00 0.00 0.00 23.12 19.55 3cma s ALA 68 CO 0.02 -0.26 2.01 -1.01 0.00 0.00 0.00 175.76 176.51 3cma s HIS 69 N -1.26 1.69 -0.04 0.00 0.09 -1.26 -4.88 115.29 109.64 3cma s HIS 69 Ca 0.48 1.08 0.04 0.00 -0.00 0.00 0.00 55.06 56.67 3cma s HIS 69 Cb -0.31 -3.78 -0.00 0.00 -0.00 0.00 0.00 32.58 28.48 3cma s HIS 69 CO 0.40 -1.10 -0.16 0.08 -0.00 0.00 0.00 174.74 173.96 3cma s VAL 70 N 12.86 1.35 0.06 -0.90 1.01 -1.26 -4.99 120.40 128.53 3cma s VAL 70 Ca 0.73 -0.67 -0.32 0.00 0.00 0.00 0.00 61.98 61.72 3cma s VAL 70 Cb -0.03 -1.16 -0.11 0.00 0.00 0.00 0.00 36.38 35.09 3cma s VAL 70 CO 0.13 0.39 1.87 -2.65 0.00 0.00 0.00 175.10 174.84 3cma n PRO 71 N 3.13 2.65 -4.36 2.72 -0.02 -1.26 -4.45 135.00 133.42 3cma n PRO 71 Ca -0.18 0.97 -0.22 0.00 -2.02 0.00 0.00 63.50 62.05 3cma n PRO 71 Cb 0.53 -2.86 -0.11 0.00 -0.02 0.00 0.00 33.50 31.04 3cma n PRO 71 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3cma s LYS 72 N 3.35 1.35 -0.10 -0.52 1.02 0.77 -4.49 119.74 121.12 3cma s LYS 72 Ca 0.86 -1.50 -0.04 0.00 0.02 0.00 0.00 55.97 55.31 3cma s LYS 72 Cb -0.52 -1.38 0.05 0.00 -0.52 0.00 0.00 37.83 35.46 3cma s LYS 72 CO 0.41 0.27 0.21 -1.14 -0.92 0.00 0.00 175.35 174.19 3cma s GLN 73 N -3.04 0.12 -1.42 1.68 2.00 0.17 -2.24 119.66 116.93 3cma s GLN 73 Ca 0.19 0.61 -0.08 0.00 -2.00 0.00 0.00 55.36 54.08 3cma s GLN 73 Cb -0.05 -0.14 0.04 0.00 0.80 0.00 0.00 33.01 33.66 3cma s GLN 73 CO 0.08 -0.26 0.93 -0.25 -0.50 0.00 0.00 175.29 175.30 3cma n ASP 74 N 5.00 -3.79 0.00 6.67 9.92 -1.26 -0.44 116.55 132.65 3cma n ASP 74 Ca -0.12 -0.75 0.00 0.00 -0.53 0.00 0.00 54.79 53.40 3cma n ASP 74 Cb 0.51 -4.19 0.00 0.00 -0.64 0.00 0.00 41.12 36.80 3cma n ASP 74 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3cma n GLY 75 N -1.68 0.38 3.74 0.44 0.00 -1.26 -4.93 105.19 101.88 3cma n GLY 75 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 3cma n GLY 75 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cma s ARG 76 N -0.49 4.29 0.00 1.61 6.06 0.42 -5.05 118.95 125.79 3cma s ARG 76 Ca 0.00 0.50 0.00 0.00 -2.50 0.00 0.00 55.73 53.73 3cma s ARG 76 Cb 0.00 -3.39 0.00 0.00 0.06 0.00 0.00 34.95 31.62 3cma s ARG 76 CO 0.00 0.26 0.00 0.00 -2.50 0.00 0.00 175.30 173.06 3cma n ALA 77 N 3.28 0.00 0.00 6.12 0.00 -1.26 0.45 120.51 129.10 3cma n ALA 77 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3cma n ALA 77 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 3cma n ALA 77 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3cma n ARG 78 N 0.00 0.00 0.00 0.00 1.85 -1.26 -4.74 116.66 112.51 3cma n ARG 78 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3cma n ARG 78 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 3cma n ARG 78 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3cma n ARG 79 N 0.00 0.00 -1.53 2.89 0.63 -1.25 -4.48 116.66 112.92 3cma n ARG 79 Ca 0.00 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.50 3cma n ARG 79 Cb 0.00 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 32.91 3cma n ARG 79 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 3cma n VAL 80 N 0.00 2.03 -0.10 5.15 0.24 -1.26 0.96 118.33 125.35 3cma n VAL 80 Ca 0.00 -0.50 0.25 0.00 -2.04 0.00 0.00 64.34 62.05 3cma n VAL 80 Cb 0.00 -0.79 0.71 0.00 -1.47 0.00 0.00 33.84 32.29 3cma n VAL 80 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3cma h PRO 81 N 1.39 0.00 -0.01 7.34 0.11 -1.90 -0.68 132.00 138.25 3cma h PRO 81 Ca -0.40 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3cma h PRO 81 Cb 1.37 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 3cma h PRO 81 CO 0.56 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.35 3cma n GLN 82 N -4.32 1.48 -3.77 1.05 0.00 -1.26 -4.83 117.38 105.73 3cma n GLN 82 Ca 0.15 -0.69 -0.35 0.00 0.00 0.00 0.00 57.00 56.10 3cma n GLN 82 Cb 0.80 -1.48 -0.08 0.00 0.00 0.00 0.00 30.24 29.48 3cma n GLN 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3cma s ALA 83 N -2.00 3.70 0.27 2.61 0.00 -0.26 -5.03 121.76 121.05 3cma s ALA 83 Ca 0.41 -0.69 -0.30 0.00 0.00 0.00 0.00 51.96 51.38 3cma s ALA 83 Cb 0.21 -2.12 -0.13 0.00 0.00 0.00 0.00 23.12 21.08 3cma s ALA 83 CO 0.34 0.23 1.29 0.28 0.00 0.00 0.00 175.76 177.91 3cma n VAL 84 N 3.28 1.45 -1.01 0.00 0.31 -1.26 0.71 118.33 121.81 3cma n VAL 84 Ca -0.17 -0.36 -0.00 0.00 -0.01 0.00 0.00 64.34 63.80 3cma n VAL 84 Cb 0.52 -1.38 -0.00 0.00 -0.91 0.00 0.00 33.84 32.07 3cma n VAL 84 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3cma n LYS 85 N 1.33 -0.41 -2.42 5.55 4.76 -1.26 -4.86 118.16 120.85 3cma n LYS 85 Ca 0.09 0.14 -0.25 0.00 -2.87 0.00 0.00 58.31 55.42 3cma n LYS 85 Cb 0.32 -3.48 0.12 0.00 -1.84 0.00 0.00 35.03 30.16 3cma n LYS 85 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3cma s GLY 86 N -2.06 1.76 0.73 0.72 0.00 0.22 -4.48 107.32 104.22 3cma s GLY 86 Ca 0.00 -1.54 -0.12 0.00 0.00 0.00 0.00 44.72 43.07 3cma s GLY 86 CO 0.00 -0.95 1.09 1.09 0.00 0.00 0.00 173.10 174.33 3cma s ARG 87 N -5.29 2.48 0.04 2.90 1.70 0.27 -4.66 118.95 116.39 3cma s ARG 87 Ca 0.67 1.19 -0.25 0.00 -0.47 0.00 0.00 55.73 56.87 3cma s ARG 87 Cb -0.06 -1.92 -0.05 0.00 -0.57 0.00 0.00 34.95 32.35 3cma s ARG 87 CO 0.46 -1.47 0.77 0.45 -1.08 0.00 0.00 175.30 174.42 3cma s SER 88 N -3.25 7.20 0.01 -2.89 0.15 -1.26 -3.85 113.70 109.81 3cma s SER 88 Ca 0.62 1.44 -0.25 0.00 0.70 0.00 0.00 55.95 58.46 3cma s SER 88 Cb -0.17 -2.47 -0.15 0.00 -1.71 0.00 0.00 66.02 61.52 3cma s SER 88 CO 0.52 -0.00 1.14 0.00 1.20 0.00 0.00 173.24 176.09 3cma h ALA 89 N 5.78 -0.71 -2.43 5.45 0.00 -1.94 -3.40 119.26 122.00 3cma h ALA 89 Ca -0.44 -0.19 -0.59 0.00 0.00 0.00 0.00 54.91 53.69 3cma h ALA 89 Cb 1.21 0.28 -0.40 0.00 0.00 0.00 0.00 17.79 18.87 3cma h ALA 89 CO 0.71 -0.74 -0.85 0.72 0.00 0.00 0.00 179.25 179.10 3cma n HIS 90 N -5.28 0.98 -2.15 0.00 8.25 -1.26 -5.12 115.22 110.64 3cma n HIS 90 Ca -0.11 -3.75 -0.27 0.00 -0.26 0.00 0.00 57.72 53.33 3cma n HIS 90 Cb 0.32 -0.23 0.12 0.00 1.12 0.00 0.00 29.99 31.32 3cma n HIS 90 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3cma s PRO 91 N -1.02 1.53 0.56 -0.41 0.04 -1.26 -5.03 135.00 129.41 3cma s PRO 91 Ca 0.33 -0.44 -0.21 0.00 0.04 0.00 0.00 61.00 60.72 3cma s PRO 91 Cb 0.07 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 3cma s PRO 91 CO -0.14 -1.73 1.33 -2.14 0.04 0.00 0.00 177.00 174.36 3cma s PRO 92 N -5.49 3.05 -0.06 0.56 0.02 -1.26 -4.95 135.00 126.87 3cma s PRO 92 Ca 0.66 2.15 0.02 0.00 0.02 0.00 0.00 61.00 63.85 3cma s PRO 92 Cb -0.07 -2.16 0.02 0.00 0.02 0.00 0.00 34.50 32.30 3cma s PRO 92 CO 0.48 -1.24 -0.09 0.15 -0.33 0.00 0.00 177.00 175.97 3cma s LYS 93 N -3.01 1.33 0.23 5.54 1.02 -1.25 -3.46 119.74 120.14 3cma s LYS 93 Ca 0.74 -0.28 -0.06 0.00 0.02 0.00 0.00 55.97 56.38 3cma s LYS 93 Cb -0.39 -1.17 0.36 0.00 -0.52 0.00 0.00 37.83 36.12 3cma s LYS 93 CO 0.45 -0.02 1.76 1.15 -0.92 0.00 0.00 175.35 177.77 3cma h THR 94 N 6.04 0.79 0.00 2.17 2.02 -1.65 -1.87 112.91 120.41 3cma h THR 94 Ca -0.34 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.66 3cma h THR 94 Cb 1.17 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 3cma h THR 94 CO 0.47 0.10 0.02 -0.62 0.37 0.00 0.00 175.52 175.86 3cma n GLU 95 N -4.91 0.06 -2.25 6.66 4.71 -1.26 -4.70 120.64 118.95 3cma n GLU 95 Ca 0.12 0.55 -0.41 0.00 -0.01 0.00 0.00 57.16 57.40 3cma n GLU 95 Cb 0.31 -1.72 -0.03 0.00 -1.01 0.00 0.00 31.44 28.99 3cma n GLU 95 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 3cma s LYS 96 N -3.21 4.41 -0.53 3.49 2.20 -0.70 -4.97 119.74 120.42 3cma s LYS 96 Ca -0.01 2.02 -0.25 0.00 -0.36 0.00 0.00 55.97 57.37 3cma s LYS 96 Cb 0.03 -3.20 0.04 0.00 -1.51 0.00 0.00 37.83 33.18 3cma s LYS 96 CO 0.08 -0.22 0.97 0.34 -0.36 0.00 0.00 175.35 176.17 3cma s ASP 97 N 0.29 6.40 -0.14 1.43 3.68 -1.26 -4.88 116.67 122.19 3cma s ASP 97 Ca 0.56 -0.16 0.15 0.00 2.13 0.00 0.00 52.55 55.23 3cma s ASP 97 Cb -0.36 -2.46 0.67 0.00 -1.45 0.00 0.00 42.92 39.33 3cma s ASP 97 CO 0.38 -1.22 1.55 0.54 0.13 0.00 0.00 175.17 176.56 3cma n ARG 98 N 7.52 3.81 -2.62 4.34 1.74 -1.26 -4.95 116.66 125.25 3cma n ARG 98 Ca 0.04 -2.62 -0.22 0.00 -0.77 0.00 0.00 57.85 54.28 3cma n ARG 98 Cb 0.48 -1.96 0.05 0.00 -1.02 0.00 0.00 32.46 30.00 3cma n ARG 98 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3cma s SER 99 N -0.78 5.12 -0.02 0.55 1.04 -1.26 -4.53 113.70 113.82 3cma s SER 99 Ca 0.46 -0.06 0.01 0.00 0.48 0.00 0.00 55.95 56.84 3cma s SER 99 Cb 0.32 -0.74 0.02 0.00 0.10 0.00 0.00 66.02 65.71 3cma s SER 99 CO 0.19 -1.27 -0.01 -0.76 0.98 0.00 0.00 173.24 172.37 3cma s LEU 100 N -4.83 1.50 0.34 2.42 1.43 -1.26 -4.97 118.68 113.31 3cma s LEU 100 Ca 0.59 -0.04 -0.02 0.00 -1.03 0.00 0.00 54.13 53.63 3cma s LEU 100 Cb -0.10 -0.21 -0.04 0.00 0.03 0.00 0.00 46.19 45.87 3cma s LEU 100 CO 0.39 -0.04 0.57 -1.81 0.23 0.00 0.00 176.35 175.69 3cma s ASP 101 N 0.59 6.33 -0.27 2.29 1.11 -1.26 -4.91 116.67 120.55 3cma s ASP 101 Ca -0.06 0.57 -0.08 0.00 0.18 0.00 0.00 52.55 53.16 3cma s ASP 101 Cb -0.09 -2.08 0.13 0.00 1.07 0.00 0.00 42.92 41.94 3cma s ASP 101 CO -0.01 -0.30 0.57 -0.22 1.18 0.00 0.00 175.17 176.39 3cma s LEU 102 N -4.15 -1.02 0.28 1.23 2.96 -1.26 -5.05 118.68 111.68 3cma s LEU 102 Ca 0.42 1.28 -0.29 0.00 -0.22 0.00 0.00 54.13 55.31 3cma s LEU 102 Cb -0.10 1.98 -0.14 0.00 0.50 0.00 0.00 46.19 48.43 3cma s LEU 102 CO 0.35 -0.23 1.19 0.59 -1.32 0.00 0.00 176.35 176.93 3cma n ASN 103 N 5.43 2.01 -0.16 3.68 4.13 -1.26 -4.76 115.26 124.33 3cma n ASN 103 Ca -0.09 1.17 -0.03 0.00 1.68 0.00 0.00 54.58 57.31 3cma n ASN 103 Cb 0.49 -1.36 0.06 0.00 -1.54 0.00 0.00 39.78 37.43 3cma n ASN 103 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 3cma h ASP 104 N 2.78 0.12 0.22 6.41 3.32 -2.00 0.46 116.42 127.74 3cma h ASP 104 Ca -0.43 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 56.69 3cma h ASP 104 Cb 1.31 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.92 3cma h ASP 104 CO 0.65 0.10 -0.19 0.11 -1.72 0.00 0.00 179.24 178.19 3cma h LYS 105 N 0.31 -0.41 -0.91 3.56 1.57 -1.98 0.27 116.57 118.98 3cma h LYS 105 Ca 0.24 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 59.19 3cma h LYS 105 Cb 0.28 0.09 -0.09 0.00 0.08 0.00 0.00 32.23 32.59 3cma h LYS 105 CO -0.27 -0.28 0.52 1.49 -0.57 0.00 0.00 179.45 180.35 3cma h GLU 106 N -0.43 0.74 -0.06 3.15 4.81 -1.79 0.25 114.58 121.25 3cma h GLU 106 Ca -0.01 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 3cma h GLU 106 Cb 0.39 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3cma h GLU 106 CO -0.02 0.49 -0.12 -0.09 -0.73 0.00 0.00 179.01 178.54 3cma h ARG 107 N 0.76 0.18 -0.66 1.92 2.43 -0.40 -2.96 114.38 115.64 3cma h ARG 107 Ca 0.48 -0.12 0.06 0.00 -0.81 0.00 0.00 59.98 59.59 3cma h ARG 107 Cb 0.62 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.14 3cma h ARG 107 CO -0.33 0.70 0.44 1.96 -1.51 0.00 0.00 179.97 181.24 3cma h GLN 108 N -0.32 0.68 -0.09 0.20 4.20 0.23 0.14 115.11 120.14 3cma h GLN 108 Ca 0.00 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 3cma h GLN 108 Cb 0.70 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 3cma h GLN 108 CO 0.03 0.45 -0.16 1.25 -0.67 0.00 0.00 178.83 179.72 3cma h LEU 109 N 0.70 0.14 -0.26 1.46 5.85 -0.50 -1.80 115.31 120.90 3cma h LEU 109 Ca 0.28 -0.03 -0.20 0.00 0.84 0.00 0.00 57.88 58.78 3cma h LEU 109 Cb 0.23 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3cma h LEU 109 CO -0.09 0.32 -0.89 0.00 -0.34 0.00 0.00 178.44 177.44 3cma h ALA 110 N 1.70 0.51 -0.05 1.25 0.00 -0.60 -1.05 119.26 121.03 3cma h ALA 110 Ca 0.03 -0.74 -0.00 0.00 0.00 0.00 0.00 54.91 54.19 3cma h ALA 110 Cb 0.37 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3cma h ALA 110 CO 0.02 0.95 0.02 0.28 0.00 0.00 0.00 179.25 180.53 3cma h VAL 111 N 0.08 1.13 -0.30 0.00 2.07 -0.65 0.78 116.25 119.36 3cma h VAL 111 Ca -0.04 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.11 3cma h VAL 111 Cb 1.53 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 32.57 3cma h VAL 111 CO 0.13 0.11 0.13 0.03 0.02 0.00 0.00 177.57 177.99 3cma h ARG 112 N -0.07 0.27 -0.32 1.57 3.08 -1.33 -0.43 114.38 117.15 3cma h ARG 112 Ca 0.02 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3cma h ARG 112 Cb 0.16 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 3cma h ARG 112 CO -0.00 0.18 0.07 1.03 -1.07 0.00 0.00 179.97 180.17 3cma h SER 113 N 0.28 0.42 -0.41 7.04 0.87 -1.00 -1.41 113.55 119.34 3cma h SER 113 Ca 0.13 -0.06 -0.13 0.00 -1.23 0.00 0.00 61.79 60.50 3cma h SER 113 Cb 0.07 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 3cma h SER 113 CO -0.11 0.44 -0.24 0.00 -0.53 0.00 0.00 176.83 176.39 3cma h ALA 114 N 1.62 0.72 -0.31 6.23 0.00 -0.04 -2.16 119.26 125.33 3cma h ALA 114 Ca 0.11 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.64 3cma h ALA 114 Cb 0.20 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3cma h ALA 114 CO -0.00 0.67 0.15 1.25 0.00 0.00 0.00 179.25 181.32 3cma h LEU 115 N 0.80 0.23 -0.31 0.00 5.85 -0.25 -2.85 115.31 118.77 3cma h LEU 115 Ca 0.10 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.85 3cma h LEU 115 Cb 0.81 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 3cma h LEU 115 CO 0.07 0.17 0.18 0.00 -0.34 0.00 0.00 178.44 178.52 3cma h ALA 116 N 1.16 0.39 -0.63 1.25 0.00 -1.08 -1.79 119.26 118.56 3cma h ALA 116 Ca 0.13 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.21 3cma h ALA 116 Cb 0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3cma h ALA 116 CO -0.09 -0.19 0.53 0.00 0.00 0.00 0.00 179.25 179.51 3cma h ALA 117 N 1.14 2.47 0.00 0.00 0.00 -1.16 -0.13 119.26 121.59 3cma h ALA 117 Ca 0.12 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3cma h ALA 117 Cb 0.01 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3cma h ALA 117 CO -0.06 -0.85 -0.27 1.15 0.00 0.00 0.00 179.25 179.21 3cma h THR 118 N 0.00 1.18 -0.78 0.00 2.02 -1.23 -3.12 112.91 110.98 3cma h THR 118 Ca 0.30 -0.94 -0.45 0.00 0.77 0.00 0.00 66.41 66.08 3cma h THR 118 Cb 1.35 1.51 -0.18 0.00 -1.74 0.00 0.00 68.15 69.09 3cma h THR 118 CO -0.00 0.27 0.53 0.00 0.37 0.00 0.00 175.52 176.68 3cma n ALA 119 N -2.48 5.72 -3.09 6.16 0.00 -0.06 -3.27 120.51 123.48 3cma n ALA 119 Ca -0.02 -2.42 -0.19 0.00 0.00 0.00 0.00 53.44 50.81 3cma n ALA 119 Cb 0.32 -1.65 -0.04 0.00 0.00 0.00 0.00 19.45 18.08 3cma n ALA 119 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3cma n ASP 120 N 0.19 -1.11 -0.14 0.00 -0.08 -1.18 -4.81 116.55 109.42 3cma n ASP 120 Ca 0.42 -2.77 0.13 0.00 -1.51 0.00 0.00 54.79 51.05 3cma n ASP 120 Cb 0.57 0.21 0.24 0.00 2.34 0.00 0.00 41.12 44.49 3cma n ASP 120 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3cma n ALA 121 N 2.00 0.42 0.00 -1.67 0.00 -1.26 0.13 120.51 120.13 3cma n ALA 121 Ca 0.20 0.45 -0.11 0.00 0.00 0.00 0.00 53.44 53.98 3cma n ALA 121 Cb 0.54 -0.43 -0.05 0.00 0.00 0.00 0.00 19.45 19.51 3cma n ALA 121 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3cma h ASP 122 N 0.00 0.07 0.87 0.00 3.32 -1.94 0.41 116.42 119.15 3cma h ASP 122 Ca 0.36 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.37 3cma h ASP 122 Cb 0.93 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 40.47 3cma h ASP 122 CO -0.34 0.06 -0.42 -0.07 -1.72 0.00 0.00 179.24 176.74 3cma h LEU 123 N 0.10 -0.99 -1.10 1.55 3.38 0.72 -0.37 115.31 118.60 3cma h LEU 123 Ca 0.04 0.03 0.37 0.00 0.09 0.00 0.00 57.88 58.41 3cma h LEU 123 Cb 0.00 0.26 -0.15 0.00 0.09 0.00 0.00 40.66 40.86 3cma h LEU 123 CO -0.02 -0.64 0.63 0.58 0.09 0.00 0.00 178.44 179.07 3cma h VAL 124 N -1.32 0.19 -0.30 1.22 2.07 -1.43 1.20 116.25 117.89 3cma h VAL 124 Ca -0.12 -0.07 -0.14 0.00 0.82 0.00 0.00 66.70 67.20 3cma h VAL 124 Cb 0.90 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3cma h VAL 124 CO 0.20 0.03 -0.35 0.00 0.02 0.00 0.00 177.57 177.47 3cma h ALA 125 N 1.83 0.45 -0.56 1.67 0.00 -0.58 -3.07 119.26 119.00 3cma h ALA 125 Ca 0.78 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 55.17 3cma h ALA 125 Cb 2.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.69 3cma h ALA 125 CO -0.60 0.52 0.01 -0.44 0.00 0.00 0.00 179.25 178.74 3cma h ASP 126 N 0.53 0.93 -0.71 0.00 3.32 0.30 -2.55 116.42 118.24 3cma h ASP 126 Ca 0.04 -0.24 0.09 0.00 0.02 0.00 0.00 57.03 56.94 3cma h ASP 126 Cb 0.94 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 40.20 3cma h ASP 126 CO 0.09 0.98 0.47 -0.09 -1.72 0.00 0.00 179.24 178.96 3cma h ARG 127 N 0.88 0.59 0.00 3.56 2.43 -0.41 -3.46 114.38 117.97 3cma h ARG 127 Ca 0.16 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3cma h ARG 127 Cb 0.50 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3cma h ARG 127 CO 0.02 0.39 0.00 0.41 -1.51 0.00 0.00 179.97 179.28 3cma n GLY 128 N -1.48 1.07 3.77 2.80 0.00 -0.96 -5.11 105.19 105.29 3cma n GLY 128 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3cma n GLY 128 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3cma s HIS 129 N -0.69 2.81 -0.20 1.61 3.76 -1.18 -4.99 115.29 116.41 3cma s HIS 129 Ca 0.00 1.24 -0.11 0.00 -0.15 0.00 0.00 55.06 56.05 3cma s HIS 129 Cb 0.00 -3.87 -0.05 0.00 1.11 0.00 0.00 32.58 29.77 3cma s HIS 129 CO 0.00 -2.53 0.16 -1.21 -0.85 0.00 0.00 174.74 170.31 3cma s GLU 130 N -1.79 4.18 -0.11 1.40 0.41 -1.26 -4.61 118.70 116.91 3cma s GLU 130 Ca 0.52 -0.18 -0.31 0.00 -0.41 0.00 0.00 54.97 54.59 3cma s GLU 130 Cb -0.43 -3.45 0.12 0.00 -1.78 0.00 0.00 34.13 28.59 3cma s GLU 130 CO 0.57 0.24 1.03 -0.59 -0.49 0.00 0.00 175.26 176.02 3cma s PHE 131 N 0.53 -0.28 -0.36 1.61 -0.12 -1.26 -1.98 117.98 116.12 3cma s PHE 131 Ca 0.09 0.30 0.00 0.00 -0.05 0.00 0.00 56.93 57.28 3cma s PHE 131 Cb -0.12 0.50 0.09 0.00 -0.63 0.00 0.00 43.02 42.87 3cma s PHE 131 CO 0.00 -0.37 0.10 -0.51 -0.05 0.00 0.00 175.22 174.39 3cma s ASP 132 N -1.90 4.96 0.00 1.98 1.01 -0.93 -5.04 116.67 116.75 3cma s ASP 132 Ca 0.04 -1.94 0.00 0.00 0.71 0.00 0.00 52.55 51.36 3cma s ASP 132 Cb -0.01 -1.72 0.00 0.00 1.01 0.00 0.00 42.92 42.21 3cma s ASP 132 CO -0.05 -0.42 0.00 -1.14 0.21 0.00 0.00 175.17 173.78 3cma n ARG 133 N 4.45 0.00 -0.11 8.23 0.63 -1.26 -4.67 116.66 123.93 3cma n ARG 133 Ca -0.02 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.72 3cma n ARG 133 Cb 0.42 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.24 3cma n ARG 133 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3cma n ASP 134 N 0.00 2.01 -4.77 6.15 8.00 -1.26 -4.96 116.55 121.71 3cma n ASP 134 Ca 0.00 0.06 -0.37 0.00 0.71 0.00 0.00 54.79 55.20 3cma n ASP 134 Cb 0.00 -0.49 -0.01 0.00 -0.02 0.00 0.00 41.12 40.60 3cma n ASP 134 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3cma s GLU 135 N -2.43 3.73 -0.30 -1.24 2.02 -1.26 -4.62 118.70 114.61 3cma s GLU 135 Ca -0.30 1.71 -0.24 0.00 0.02 0.00 0.00 54.97 56.15 3cma s GLU 135 Cb 0.10 -2.34 0.19 0.00 0.10 0.00 0.00 34.13 32.17 3cma s GLU 135 CO 0.45 -0.56 1.41 0.54 0.02 0.00 0.00 175.26 177.12 3cma s VAL 136 N -1.61 0.00 0.97 2.63 0.11 -1.26 -4.72 120.40 116.52 3cma s VAL 136 Ca 0.65 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.59 3cma s VAL 136 Cb -0.27 -1.00 0.17 0.00 -1.53 0.00 0.00 36.38 33.76 3cma s VAL 136 CO 0.32 0.00 1.10 -2.16 -3.33 0.00 0.00 175.10 171.03 3cma s PRO 137 N 0.12 0.61 0.15 1.54 0.04 -1.20 -4.18 135.00 132.07 3cma s PRO 137 Ca 0.06 1.21 -0.28 0.00 0.04 0.00 0.00 61.00 62.03 3cma s PRO 137 Cb -0.05 -1.70 -0.07 0.00 0.04 0.00 0.00 34.50 32.72 3cma s PRO 137 CO -0.15 -2.80 0.86 0.08 0.04 0.00 0.00 177.00 175.03 3cma s VAL 138 N -2.66 4.40 -0.10 -0.36 1.01 -1.20 -4.92 120.40 116.57 3cma s VAL 138 Ca 0.66 1.87 0.04 0.00 0.00 0.00 0.00 61.98 64.56 3cma s VAL 138 Cb -0.22 -4.23 -0.00 0.00 0.00 0.00 0.00 36.38 31.93 3cma s VAL 138 CO 0.59 0.44 -0.24 -0.69 0.00 0.00 0.00 175.10 175.20 3cma s VAL 139 N -0.66 2.07 0.10 2.92 1.01 -1.26 -0.45 120.40 124.12 3cma s VAL 139 Ca 0.40 -1.02 0.07 0.00 0.00 0.00 0.00 61.98 61.43 3cma s VAL 139 Cb -0.23 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 3cma s VAL 139 CO 0.28 0.56 -0.18 -0.69 0.00 0.00 0.00 175.10 175.07 3cma s VAL 140 N 0.31 1.46 0.66 2.92 1.01 -1.05 -1.08 120.40 124.63 3cma s VAL 140 Ca -0.18 -1.50 -0.18 0.00 0.00 0.00 0.00 61.98 60.13 3cma s VAL 140 Cb -0.18 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 3cma s VAL 140 CO 0.09 -0.17 1.19 -1.54 0.00 0.00 0.00 175.10 174.66 3cma n SER 141 N 1.05 1.59 0.31 3.32 3.41 0.40 -1.41 113.62 122.30 3cma n SER 141 Ca -0.19 0.79 0.18 0.00 -0.26 0.00 0.00 58.87 59.39 3cma n SER 141 Cb 0.54 -1.51 0.93 0.00 -0.26 0.00 0.00 64.21 63.92 3cma n SER 141 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3cma h ASP 142 N 0.35 0.00 0.00 4.04 3.32 -1.94 -1.76 116.42 120.43 3cma h ASP 142 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3cma h ASP 142 Cb 1.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.89 3cma h ASP 142 CO 0.51 0.00 0.04 0.44 -1.72 0.00 0.00 179.24 178.51 3cma h ASP 143 N 0.00 0.00 -0.72 6.45 3.32 -1.97 -1.02 116.42 122.48 3cma h ASP 143 Ca 0.02 0.00 0.15 0.00 0.02 0.00 0.00 57.03 57.22 3cma h ASP 143 Cb 0.48 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 3cma h ASP 143 CO -0.00 0.00 0.48 0.15 -1.72 0.00 0.00 179.24 178.15 3cma h PHE 144 N 0.00 0.39 0.00 4.55 3.57 -1.66 0.33 116.94 124.12 3cma h PHE 144 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3cma h PHE 144 Cb 0.07 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.69 3cma h PHE 144 CO 0.00 0.15 0.00 0.39 -2.23 0.00 0.00 178.31 176.62 3cma n GLU 145 N -4.46 0.13 -0.02 1.11 1.02 -0.39 -2.23 120.64 115.80 3cma n GLU 145 Ca 0.14 0.48 0.12 0.00 -0.02 0.00 0.00 57.16 57.88 3cma n GLU 145 Cb 0.55 -1.82 0.18 0.00 -0.02 0.00 0.00 31.44 30.34 3cma n GLU 145 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3cma n ASP 146 N -2.08 2.80 -4.77 1.62 8.00 0.12 -4.95 116.55 117.28 3cma n ASP 146 Ca 0.01 -1.92 -0.31 0.00 0.71 0.00 0.00 54.79 53.28 3cma n ASP 146 Cb 0.14 -0.03 0.09 0.00 -0.02 0.00 0.00 41.12 41.30 3cma n ASP 146 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3cma s LEU 147 N -1.94 2.96 0.00 0.64 1.43 -0.95 -4.99 118.68 115.83 3cma s LEU 147 Ca 0.31 1.76 0.00 0.00 -1.03 0.00 0.00 54.13 55.17 3cma s LEU 147 Cb 0.20 -4.45 0.00 0.00 0.03 0.00 0.00 46.19 41.98 3cma s LEU 147 CO 0.31 -2.04 0.00 0.52 0.23 0.00 0.00 176.35 175.37 3cma n VAL 148 N -3.52 0.00 -2.96 -1.59 0.31 -1.26 -4.63 118.33 104.67 3cma n VAL 148 Ca 0.09 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 64.02 3cma n VAL 148 Cb 0.53 -0.70 -0.05 0.00 -0.91 0.00 0.00 33.84 32.72 3cma n VAL 148 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3cma s LYS 149 N -1.80 4.50 0.19 5.55 -0.14 -1.26 -4.29 119.74 122.50 3cma s LYS 149 Ca 0.00 1.09 -0.11 0.00 -1.36 0.00 0.00 55.97 55.58 3cma s LYS 149 Cb 0.00 -3.38 0.19 0.00 -1.68 0.00 0.00 37.83 32.97 3cma s LYS 149 CO 0.00 0.24 1.78 1.15 -0.76 0.00 0.00 175.35 177.75 3cma h THR 150 N 4.22 0.90 -0.63 2.17 2.02 -1.91 -1.68 112.91 117.99 3cma h THR 150 Ca -0.43 -0.17 0.08 0.00 0.77 0.00 0.00 66.41 66.66 3cma h THR 150 Cb 1.21 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 67.94 3cma h THR 150 CO 0.72 0.09 0.42 1.56 0.37 0.00 0.00 175.52 178.67 3cma h GLN 151 N 0.49 0.53 -0.78 6.66 4.20 -1.93 -0.32 115.11 123.96 3cma h GLN 151 Ca 0.26 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.89 3cma h GLN 151 Cb 0.22 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 3cma h GLN 151 CO -0.21 0.35 0.31 0.93 -0.67 0.00 0.00 178.83 179.54 3cma h GLU 152 N 0.54 1.16 0.00 1.46 5.08 -1.68 -0.54 114.58 120.60 3cma h GLU 152 Ca 0.28 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 3cma h GLU 152 Cb 0.39 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3cma h GLU 152 CO -0.09 0.94 -0.14 0.28 -1.00 0.00 0.00 179.01 179.01 3cma h VAL 153 N 1.12 0.47 -0.12 3.13 2.07 -0.96 -2.68 116.25 119.28 3cma h VAL 153 Ca 0.26 -0.73 -0.07 0.00 0.82 0.00 0.00 66.70 66.98 3cma h VAL 153 Cb 0.22 1.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 3cma h VAL 153 CO -0.02 0.14 -0.19 0.58 0.02 0.00 0.00 177.57 178.10 3cma h VAL 154 N 0.00 1.37 -0.91 2.57 2.07 -0.23 -1.88 116.25 119.24 3cma h VAL 154 Ca -0.00 -1.42 0.05 0.00 0.82 0.00 0.00 66.70 66.15 3cma h VAL 154 Cb 0.50 2.01 -0.06 0.00 -1.52 0.00 0.00 31.29 32.22 3cma h VAL 154 CO 0.02 0.41 0.60 0.28 0.02 0.00 0.00 177.57 178.90 3cma h SER 155 N -0.07 0.95 -0.34 0.57 0.02 -1.03 -0.14 113.55 113.51 3cma h SER 155 Ca 0.01 -0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.88 3cma h SER 155 Cb 0.75 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 3cma h SER 155 CO 0.04 0.62 -0.09 0.25 -1.14 0.00 0.00 176.83 176.51 3cma h LEU 156 N 1.08 0.67 -1.72 5.07 5.85 -1.43 0.86 115.31 125.70 3cma h LEU 156 Ca 0.38 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3cma h LEU 156 Cb 0.12 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 3cma h LEU 156 CO -0.13 0.88 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.75 3cma h LEU 157 N 0.44 0.00 0.18 2.25 3.38 -0.69 -0.72 115.31 120.15 3cma h LEU 157 Ca 0.08 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.75 3cma h LEU 157 Cb 0.60 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.37 3cma h LEU 157 CO 0.04 0.03 -1.46 -0.33 0.09 0.00 0.00 178.44 176.81 3cma h GLU 158 N 0.00 0.38 0.00 1.13 5.08 -0.72 0.11 114.58 120.55 3cma h GLU 158 Ca -0.00 -0.65 0.00 0.00 -1.00 0.00 0.00 59.36 57.71 3cma h GLU 158 Cb 0.44 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3cma h GLU 158 CO 0.00 1.31 0.00 0.00 -1.00 0.00 0.00 179.01 179.33 3cma h ALA 159 N 0.08 1.00 -0.33 3.43 0.00 -0.21 0.10 119.26 123.33 3cma h ALA 159 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3cma h ALA 159 Cb 1.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.75 3cma h ALA 159 CO 0.17 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.70 3cma n LEU 160 N -2.55 2.99 -1.68 0.00 4.77 -0.33 -4.85 117.00 115.35 3cma n LEU 160 Ca -0.00 -1.62 -0.16 0.00 -0.03 0.00 0.00 56.01 54.19 3cma n LEU 160 Cb 0.14 -0.21 -0.05 0.00 -2.33 0.00 0.00 43.42 40.96 3cma n LEU 160 CO 0.17 0.68 -0.16 0.47 -1.33 0.00 0.00 177.39 177.22 3cma n ASP 161 N 0.97 -4.32 -0.71 -1.43 8.00 0.02 -4.80 116.55 114.28 3cma n ASP 161 Ca 0.14 0.33 0.08 0.00 0.71 0.00 0.00 54.79 56.05 3cma n ASP 161 Cb 0.47 -3.86 0.11 0.00 -0.02 0.00 0.00 41.12 37.82 3cma n ASP 161 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3cma n VAL 162 N -2.42 0.29 0.25 2.53 3.14 -0.27 -2.18 118.33 119.66 3cma n VAL 162 Ca -0.17 -0.64 0.14 0.00 -2.96 0.00 0.00 64.34 60.71 3cma n VAL 162 Cb 0.55 1.09 0.57 0.00 -1.06 0.00 0.00 33.84 34.99 3cma n VAL 162 CO 0.00 0.00 0.00 -0.74 -6.46 0.00 0.00 176.83 169.63 3cma h HIS 163 N 3.04 0.00 -0.00 1.45 6.17 -1.36 -3.12 115.15 121.32 3cma h HIS 163 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 3cma h HIS 163 Cb 0.71 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 30.64 3cma h HIS 163 CO 0.09 0.08 0.02 0.00 0.71 0.00 0.00 177.93 178.83 3cma h ALA 164 N 1.92 1.06 0.00 5.26 0.00 -1.80 0.25 119.26 125.96 3cma h ALA 164 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3cma h ALA 164 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3cma h ALA 164 CO 0.01 -0.02 0.00 0.22 0.00 0.00 0.00 179.25 179.46 3cma h ASP 165 N 0.00 0.00 0.90 0.00 3.58 -1.33 -2.78 116.42 116.78 3cma h ASP 165 Ca 0.00 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.25 3cma h ASP 165 Cb 0.05 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.06 3cma h ASP 165 CO -0.00 0.00 -1.18 0.40 -2.88 0.00 0.00 179.24 175.58 3cma h ILE 166 N 0.00 1.06 0.00 2.25 2.04 -1.16 -2.77 117.51 118.92 3cma h ILE 166 Ca 0.00 -2.69 -0.08 0.00 1.00 0.00 0.00 64.86 63.09 3cma h ILE 166 Cb 0.84 2.48 -0.01 0.00 -0.74 0.00 0.00 36.82 39.39 3cma h ILE 166 CO 0.00 0.60 -0.37 0.44 0.00 0.00 0.00 178.15 178.82 3cma h ASP 167 N 0.00 0.00 0.29 1.72 3.45 -1.37 -1.97 116.42 118.54 3cma h ASP 167 Ca -0.12 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.33 3cma h ASP 167 Cb 1.72 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.49 3cma h ASP 167 CO 0.09 0.37 -0.14 -0.09 -1.57 0.00 0.00 179.24 177.90 3cma h ARG 168 N 0.00 -0.37 0.00 3.56 2.43 -1.41 -3.08 114.38 115.51 3cma h ARG 168 Ca -0.00 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3cma h ARG 168 Cb 0.80 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 3cma h ARG 168 CO 0.05 -0.03 0.00 0.00 -1.51 0.00 0.00 179.97 178.48 3cma n ALA 169 N -2.56 2.09 -1.09 2.80 0.00 -1.06 -3.55 120.51 117.14 3cma n ALA 169 Ca -0.08 -0.09 -0.21 0.00 0.00 0.00 0.00 53.44 53.06 3cma n ALA 169 Cb 0.26 -1.23 0.01 0.00 0.00 0.00 0.00 19.45 18.50 3cma n ALA 169 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3cma n ASP 170 N -0.93 6.54 -3.63 0.00 4.64 -0.75 -4.33 116.55 118.09 3cma n ASP 170 Ca 0.11 -3.14 -0.21 0.00 -1.38 0.00 0.00 54.79 50.16 3cma n ASP 170 Cb 0.05 -1.11 -0.17 0.00 -1.04 0.00 0.00 41.12 38.86 3cma n ASP 170 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 3cma s GLU 171 N -1.89 0.02 0.17 -0.67 2.02 -1.23 -5.04 118.70 112.09 3cma s GLU 171 Ca 0.41 0.23 -0.09 0.00 0.02 0.00 0.00 54.97 55.55 3cma s GLU 171 Cb 0.30 -1.02 -0.06 0.00 0.10 0.00 0.00 34.13 33.45 3cma s GLU 171 CO -0.07 -0.48 0.48 0.95 0.02 0.00 0.00 175.26 176.15 3cma s THR 172 N 2.20 5.01 -0.10 3.63 -4.23 -1.26 -4.40 115.64 116.49 3cma s THR 172 Ca 0.04 0.39 0.02 0.00 -1.18 0.00 0.00 61.69 60.95 3cma s THR 172 Cb -0.14 -3.64 -0.01 0.00 1.34 0.00 0.00 72.50 70.05 3cma s THR 172 CO -0.07 0.05 -0.16 -0.75 -0.54 0.00 0.00 174.62 173.15 3cma s LYS 173 N -2.54 3.10 -0.58 3.99 2.20 0.12 -4.95 119.74 121.09 3cma s LYS 173 Ca 0.42 -0.74 -0.17 0.00 -0.36 0.00 0.00 55.97 55.12 3cma s LYS 173 Cb -0.12 -2.49 0.12 0.00 -1.51 0.00 0.00 37.83 33.83 3cma s LYS 173 CO 0.21 0.30 0.61 0.42 -0.36 0.00 0.00 175.35 176.52 3cma s ILE 174 N 0.11 5.05 0.75 5.43 1.01 -1.26 -1.47 121.20 130.82 3cma s ILE 174 Ca -0.08 -1.33 -0.15 0.00 0.00 0.00 0.00 60.65 59.09 3cma s ILE 174 Cb -0.15 -4.42 0.02 0.00 0.01 0.00 0.00 42.46 37.92 3cma s ILE 174 CO 0.05 -0.99 0.94 0.29 0.00 0.00 0.00 174.94 175.23 3cma n LYS 175 N 5.68 0.40 -3.35 2.79 5.02 -0.80 -5.02 118.16 122.88 3cma n LYS 175 Ca -0.11 0.19 -0.33 0.00 -2.02 0.00 0.00 58.31 56.05 3cma n LYS 175 Cb 0.41 -2.21 -0.06 0.00 -0.02 0.00 0.00 35.03 33.16 3cma n LYS 175 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cma s ALA 176 N -1.90 3.52 0.00 7.82 0.00 -1.26 -4.87 121.76 125.06 3cma s ALA 176 Ca 0.72 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.50 3cma s ALA 176 Cb -0.33 -2.52 0.00 0.00 0.00 0.00 0.00 23.12 20.27 3cma s ALA 176 CO 0.52 0.46 0.00 0.41 0.00 0.00 0.00 175.76 177.15 3cma n GLY 177 N -0.01 2.44 0.00 0.00 0.00 -1.26 -4.71 105.19 101.65 3cma n GLY 177 Ca 0.00 -1.98 0.06 0.00 0.00 0.00 0.00 46.02 44.10 3cma n GLY 177 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3cma n GLN 178 N 0.64 0.55 -0.34 1.61 6.02 -1.26 -3.52 117.38 121.07 3cma n GLN 178 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.12 3cma n GLN 178 Cb 0.00 -1.33 0.34 0.00 1.02 0.00 0.00 30.24 30.26 3cma n GLN 178 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3cma h GLY 179 N 2.91 1.64 0.61 1.08 0.00 -1.87 0.24 103.07 107.68 3cma h GLY 179 Ca 0.00 -0.35 0.12 0.00 0.00 0.00 0.00 47.33 47.11 3cma h GLY 179 CO 0.00 -0.02 0.57 1.48 0.00 0.00 0.00 176.54 178.57 3cma h SER 180 N 0.75 0.72 0.50 0.19 4.64 -1.68 0.16 113.55 118.83 3cma h SER 180 Ca 0.55 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.91 3cma h SER 180 Cb 0.88 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3cma h SER 180 CO -0.33 0.39 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 3cma n ALA 181 N -2.42 1.52 -1.01 5.18 0.00 0.07 -2.00 120.51 121.85 3cma n ALA 181 Ca 0.16 0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.75 3cma n ALA 181 Cb 0.40 -1.30 0.24 0.00 0.00 0.00 0.00 19.45 18.79 3cma n ALA 181 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3cma n ARG 182 N -1.96 2.66 -0.79 0.00 1.74 0.45 -4.95 116.66 113.81 3cma n ARG 182 Ca 0.02 -2.81 0.00 0.00 -0.77 0.00 0.00 57.85 54.29 3cma n ARG 182 Cb 0.17 -1.80 0.00 0.00 -1.02 0.00 0.00 32.46 29.81 3cma n ARG 182 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cma n GLY 183 N -0.66 0.51 2.03 -0.13 0.00 -0.85 -4.97 105.19 101.13 3cma n GLY 183 Ca 0.21 -0.80 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 3cma n GLY 183 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cma n ARG 184 N -2.79 3.61 -0.24 1.61 1.74 -0.63 -4.82 116.66 115.13 3cma n ARG 184 Ca 0.00 -4.16 -0.01 0.00 -0.77 0.00 0.00 57.85 52.91 3cma n ARG 184 Cb 0.00 -2.28 0.20 0.00 -1.02 0.00 0.00 32.46 29.36 3cma n ARG 184 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3cma h LYS 185 N 2.18 1.05 -5.85 5.56 3.64 -1.75 -3.34 116.57 118.06 3cma h LYS 185 Ca 0.37 -0.08 -0.58 0.00 -1.27 0.00 0.00 60.65 59.09 3cma h LYS 185 Cb 1.53 -0.23 -0.07 0.00 -0.41 0.00 0.00 32.23 33.05 3cma h LYS 185 CO 0.77 0.73 -0.41 0.71 -2.27 0.00 0.00 179.45 178.98 3cma s TYR 186 N -5.81 2.14 -0.10 1.91 1.51 -1.26 -1.90 117.35 113.84 3cma s TYR 186 Ca -0.11 -0.72 -0.32 0.00 -1.01 0.00 0.00 57.07 54.90 3cma s TYR 186 Cb 0.17 -1.92 0.12 0.00 -0.11 0.00 0.00 41.96 40.22 3cma s TYR 186 CO 0.79 -0.10 1.06 -0.98 -1.11 0.00 0.00 175.55 175.21 3cma s ARG 187 N -4.07 0.55 0.14 -0.62 1.04 -0.54 -4.87 118.95 110.58 3cma s ARG 187 Ca 0.34 -0.20 -0.22 0.00 -1.04 0.00 0.00 55.73 54.62 3cma s ARG 187 Cb 0.00 0.25 0.06 0.00 -2.04 0.00 0.00 34.95 33.23 3cma s ARG 187 CO 0.20 -0.24 0.56 -0.98 -0.04 0.00 0.00 175.30 174.80 3cma s ARG 188 N -2.74 1.21 0.63 3.89 1.70 -1.26 0.10 118.95 122.48 3cma s ARG 188 Ca 0.07 -0.48 -0.18 0.00 -0.47 0.00 0.00 55.73 54.67 3cma s ARG 188 Cb -0.01 0.55 -0.03 0.00 -0.57 0.00 0.00 34.95 34.90 3cma s ARG 188 CO -0.07 -0.51 1.15 -2.30 -1.08 0.00 0.00 175.30 172.49 3cma n PRO 189 N -0.26 1.03 -3.10 3.89 -0.02 -1.26 -4.97 135.00 130.32 3cma n PRO 189 Ca -0.17 0.40 -0.40 0.00 -2.02 0.00 0.00 63.50 61.32 3cma n PRO 189 Cb 0.64 -2.37 -0.05 0.00 -0.02 0.00 0.00 33.50 31.70 3cma n PRO 189 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cma s ALA 190 N -1.44 3.43 0.00 3.55 0.00 -1.26 -4.33 121.76 121.71 3cma s ALA 190 Ca 0.79 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.71 3cma s ALA 190 Cb -0.40 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 19.79 3cma s ALA 190 CO 0.44 -0.26 0.00 -1.13 0.00 0.00 0.00 175.76 174.81 3cma n SER 191 N 4.24 0.00 -4.77 0.00 3.41 -0.83 -4.92 113.62 110.75 3cma n SER 191 Ca -0.02 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.21 3cma n SER 191 Cb 0.51 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.42 3cma n SER 191 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3cma s ILE 192 N 3.96 3.53 -0.23 -1.33 1.01 -1.26 -4.60 121.20 122.28 3cma s ILE 192 Ca 0.00 1.37 -0.05 0.00 0.00 0.00 0.00 60.65 61.97 3cma s ILE 192 Cb 0.00 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 38.66 3cma s ILE 192 CO 0.00 0.19 -0.01 -0.22 0.00 0.00 0.00 174.94 174.90 3cma s LEU 193 N -2.03 3.07 -0.32 2.97 2.96 -1.11 -0.36 118.68 123.87 3cma s LEU 193 Ca 0.51 -0.37 -0.11 0.00 -0.22 0.00 0.00 54.13 53.94 3cma s LEU 193 Cb -0.28 -1.79 -0.02 0.00 0.50 0.00 0.00 46.19 44.61 3cma s LEU 193 CO 0.36 -0.03 0.20 -0.36 -1.32 0.00 0.00 176.35 175.20 3cma s PHE 194 N 1.51 3.21 -0.43 5.38 0.40 0.82 -1.96 117.98 126.90 3cma s PHE 194 Ca 0.06 -0.31 -0.12 0.00 -0.60 0.00 0.00 56.93 55.96 3cma s PHE 194 Cb -0.15 -2.42 0.07 0.00 0.51 0.00 0.00 43.02 41.04 3cma s PHE 194 CO -0.01 -0.38 0.30 0.08 0.70 0.00 0.00 175.22 175.91 3cma s VAL 195 N 1.69 4.61 0.00 -0.44 1.01 -0.84 -0.45 120.40 125.96 3cma s VAL 195 Ca 0.06 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 60.79 3cma s VAL 195 Cb -0.17 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.43 3cma s VAL 195 CO 0.09 -0.52 0.00 0.35 0.00 0.00 0.00 175.10 175.02 3cma n THR 196 N 5.02 0.00 -0.01 3.92 -2.24 -0.06 -2.49 114.28 118.42 3cma n THR 196 Ca -0.11 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.66 3cma n THR 196 Cb 0.43 -1.03 -0.01 0.00 -2.10 0.00 0.00 70.33 67.62 3cma n THR 196 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3cma n SER 197 N -2.53 4.32 -0.11 3.42 2.88 -1.26 -0.83 113.62 119.50 3cma n SER 197 Ca 0.00 -0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.30 3cma n SER 197 Cb 0.00 0.34 -0.11 0.00 -0.75 0.00 0.00 64.21 63.69 3cma n SER 197 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3cma n ASP 198 N -2.24 1.98 -3.67 -3.46 8.00 -1.26 -4.76 116.55 111.15 3cma n ASP 198 Ca -0.03 0.14 -0.15 0.00 0.71 0.00 0.00 54.79 55.46 3cma n ASP 198 Cb 0.55 -0.68 -0.07 0.00 -0.02 0.00 0.00 41.12 40.89 3cma n ASP 198 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3cma s GLU 199 N -2.50 0.83 0.32 -1.24 2.02 -1.26 -5.10 118.70 111.76 3cma s GLU 199 Ca -0.34 -0.05 -0.29 0.00 0.02 0.00 0.00 54.97 54.31 3cma s GLU 199 Cb 0.10 0.38 -0.12 0.00 0.10 0.00 0.00 34.13 34.59 3cma s GLU 199 CO 0.58 -0.25 1.41 -2.30 0.02 0.00 0.00 175.26 174.73 3cma n PRO 200 N 1.07 2.33 -1.77 0.39 -0.02 -1.26 -4.75 135.00 130.98 3cma n PRO 200 Ca -0.20 0.82 -0.40 0.00 -2.02 0.00 0.00 63.50 61.70 3cma n PRO 200 Cb 0.57 -2.48 -0.03 0.00 -0.02 0.00 0.00 33.50 31.53 3cma n PRO 200 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3cma s SER 201 N 0.00 5.15 0.35 2.55 0.15 -1.26 -4.81 113.70 115.83 3cma s SER 201 Ca 0.59 1.13 0.12 0.00 0.70 0.00 0.00 55.95 58.49 3cma s SER 201 Cb -0.55 -2.51 0.64 0.00 -1.71 0.00 0.00 66.02 61.89 3cma s SER 201 CO 0.57 -2.33 1.78 0.71 1.20 0.00 0.00 173.24 175.18 3cma h THR 202 N 7.21 1.30 0.00 6.45 1.35 -1.92 -2.21 112.91 125.10 3cma h THR 202 Ca -0.30 -1.45 -0.03 0.00 -0.55 0.00 0.00 66.41 64.08 3cma h THR 202 Cb 1.22 1.78 -0.00 0.00 -1.73 0.00 0.00 68.15 69.41 3cma h THR 202 CO 1.10 0.41 -0.16 0.00 -0.25 0.00 0.00 175.52 176.62 3cma h ALA 203 N 1.58 1.21 0.00 6.62 0.00 -1.82 -3.22 119.26 123.62 3cma h ALA 203 Ca -0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3cma h ALA 203 Cb 0.75 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3cma h ALA 203 CO 0.05 0.21 -1.85 0.00 0.00 0.00 0.00 179.25 177.66 3cma n ALA 204 N -2.27 2.38 -0.19 0.00 0.00 -1.05 -3.38 120.51 116.00 3cma n ALA 204 Ca -0.01 -0.56 -0.00 0.00 0.00 0.00 0.00 53.44 52.87 3cma n ALA 204 Cb 0.30 -0.46 0.09 0.00 0.00 0.00 0.00 19.45 19.38 3cma n ALA 204 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3cma h ARG 205 N 0.00 0.12 0.00 0.00 0.11 -1.42 -2.06 114.38 111.14 3cma h ARG 205 Ca -0.10 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.97 3cma h ARG 205 Cb 1.07 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.12 3cma h ARG 205 CO 0.01 0.08 0.00 -1.71 0.10 0.00 0.00 179.97 178.44 3cma n ASN 206 N -5.26 0.15 -4.76 0.08 5.15 -1.26 -4.55 115.26 104.81 3cma n ASN 206 Ca 0.08 0.56 -0.41 0.00 -0.60 0.00 0.00 54.58 54.21 3cma n ASN 206 Cb 0.33 -0.58 0.01 0.00 -0.53 0.00 0.00 39.78 39.00 3cma n ASN 206 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3cma n LEU 207 N -1.69 4.69 -4.62 1.20 4.77 -0.78 -4.85 117.00 115.73 3cma n LEU 207 Ca 0.01 1.18 -0.51 0.00 -0.03 0.00 0.00 56.01 56.66 3cma n LEU 207 Cb 0.07 -1.59 -0.06 0.00 -2.33 0.00 0.00 43.42 39.51 3cma n LEU 207 CO 0.07 -0.07 1.01 0.00 -1.33 0.00 0.00 177.39 177.07 3cma n ALA 208 N 0.17 -0.30 0.00 -1.18 0.00 -1.26 -1.14 120.51 116.80 3cma n ALA 208 Ca 0.03 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3cma n ALA 208 Cb 0.39 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.68 3cma n ALA 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cma n GLY 209 N 2.88 0.97 3.76 0.00 0.00 -1.26 -4.60 105.19 106.94 3cma n GLY 209 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3cma n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cma n ALA 210 N 0.68 2.16 -3.71 4.61 0.00 -0.29 -1.96 120.51 122.00 3cma n ALA 210 Ca 0.00 0.29 -0.23 0.00 0.00 0.00 0.00 53.44 53.50 3cma n ALA 210 Cb 0.00 -2.40 -0.17 0.00 0.00 0.00 0.00 19.45 16.88 3cma n ALA 210 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3cma s ASP 211 N -0.31 1.56 0.15 0.00 1.01 0.52 -4.87 116.67 114.73 3cma s ASP 211 Ca 0.57 -0.19 -0.00 0.00 0.71 0.00 0.00 52.55 53.64 3cma s ASP 211 Cb -0.47 -0.61 -0.04 0.00 1.01 0.00 0.00 42.92 42.81 3cma s ASP 211 CO 0.61 -0.09 0.32 0.68 0.21 0.00 0.00 175.17 176.90 3cma s VAL 212 N 1.35 5.27 0.26 -1.27 -7.23 -1.26 -0.13 120.40 117.39 3cma s VAL 212 Ca -0.03 -0.41 -0.21 0.00 -1.81 0.00 0.00 61.98 59.51 3cma s VAL 212 Cb -0.14 -3.70 0.03 0.00 0.56 0.00 0.00 36.38 33.13 3cma s VAL 212 CO -0.03 -0.06 0.70 0.00 -0.31 0.00 0.00 175.10 175.40 3cma s ALA 213 N -1.74 -1.28 -0.07 1.32 0.00 0.40 -4.87 121.76 115.52 3cma s ALA 213 Ca 0.37 -0.18 0.05 0.00 0.00 0.00 0.00 51.96 52.19 3cma s ALA 213 Cb -0.12 0.85 -0.00 0.00 0.00 0.00 0.00 23.12 23.86 3cma s ALA 213 CO 0.28 -1.00 -0.22 0.99 0.00 0.00 0.00 175.76 175.81 3cma s THR 214 N -3.89 1.85 0.47 0.00 2.01 -1.26 -0.88 115.64 113.95 3cma s THR 214 Ca 0.10 -0.93 0.36 0.00 0.31 0.00 0.00 61.69 61.53 3cma s THR 214 Cb -0.05 -1.59 0.56 0.00 0.01 0.00 0.00 72.50 71.42 3cma s THR 214 CO 0.04 0.52 1.60 0.00 -0.69 0.00 0.00 174.62 176.09 3cma h ALA 215 N 6.44 3.07 0.00 7.40 0.00 -1.28 -0.04 119.26 134.85 3cma h ALA 215 Ca -0.27 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 3cma h ALA 215 Cb 1.20 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 3cma h ALA 215 CO 0.47 -1.70 -0.61 0.66 0.00 0.00 0.00 179.25 178.08 3cma h SER 216 N 0.03 0.00 0.00 0.00 4.64 -1.90 -3.37 113.55 112.95 3cma h SER 216 Ca 0.86 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.18 3cma h SER 216 Cb 2.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 65.05 3cma h SER 216 CO -0.32 0.61 -0.03 -1.84 -0.87 0.00 0.00 176.83 174.37 3cma n GLU 217 N -3.42 1.81 -1.81 4.77 0.28 -0.15 -5.04 120.64 117.08 3cma n GLU 217 Ca 0.00 -1.39 -0.42 0.00 -0.16 0.00 0.00 57.16 55.20 3cma n GLU 217 Cb 0.71 -0.92 -0.03 0.00 1.43 0.00 0.00 31.44 32.63 3cma n GLU 217 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3cma s VAL 218 N -0.97 3.26 0.23 3.84 0.11 -0.46 -4.91 120.40 121.49 3cma s VAL 218 Ca 0.05 0.31 0.01 0.00 -2.93 0.00 0.00 61.98 59.42 3cma s VAL 218 Cb 0.04 -3.21 0.04 0.00 -1.53 0.00 0.00 36.38 31.72 3cma s VAL 218 CO 0.00 -0.04 0.31 -0.46 -3.33 0.00 0.00 175.10 171.59 3cma n ASN 219 N 7.66 0.57 0.09 3.54 0.23 -1.26 -4.97 115.26 121.13 3cma n ASN 219 Ca 0.19 -1.45 0.02 0.00 -0.53 0.00 0.00 54.58 52.82 3cma n ASN 219 Cb 0.42 -0.19 0.39 0.00 -2.08 0.00 0.00 39.78 38.32 3cma n ASN 219 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 3cma h THR 220 N -0.25 1.17 -0.31 5.53 2.02 -1.91 -2.78 112.91 116.38 3cma h THR 220 Ca -0.10 -0.70 -0.17 0.00 0.77 0.00 0.00 66.41 66.21 3cma h THR 220 Cb 0.42 1.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.92 3cma h THR 220 CO 0.13 0.23 -0.46 -0.33 0.37 0.00 0.00 175.52 175.45 3cma h GLU 221 N 0.29 0.82 0.00 6.66 5.08 -1.93 0.48 114.58 125.98 3cma h GLU 221 Ca 0.06 -0.47 -0.15 0.00 -1.00 0.00 0.00 59.36 57.81 3cma h GLU 221 Cb 0.31 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3cma h GLU 221 CO 0.01 1.10 -0.70 0.38 -1.00 0.00 0.00 179.01 178.81 3cma h ASP 222 N 0.66 0.00 0.68 1.42 3.04 -1.94 -1.76 116.42 118.51 3cma h ASP 222 Ca 0.04 0.00 -0.24 0.00 -3.24 0.00 0.00 57.03 53.59 3cma h ASP 222 Cb 1.04 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.33 3cma h ASP 222 CO 0.10 0.70 -1.08 -0.07 -2.04 0.00 0.00 179.24 176.85 3cma h LEU 223 N 0.00 0.30 -5.92 0.15 4.07 -1.44 -3.40 115.31 109.07 3cma h LEU 223 Ca -0.01 -0.30 -0.53 0.00 0.08 0.00 0.00 57.88 57.13 3cma h LEU 223 Cb 1.47 -0.10 -0.37 0.00 1.08 0.00 0.00 40.66 42.74 3cma h LEU 223 CO 0.09 1.19 -1.07 0.00 -1.08 0.00 0.00 178.44 177.57 3cma n ALA 224 N -2.48 2.11 -1.66 1.53 0.00 0.17 -3.58 120.51 116.59 3cma n ALA 224 Ca -0.05 -3.25 -0.57 0.00 0.00 0.00 0.00 53.44 49.57 3cma n ALA 224 Cb 0.94 -0.86 -0.07 0.00 0.00 0.00 0.00 19.45 19.46 3cma n ALA 224 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3cma n PRO 225 N 1.32 1.10 -0.69 0.00 -0.04 -0.67 0.06 135.00 136.08 3cma n PRO 225 Ca 0.20 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 64.06 3cma n PRO 225 Cb 0.55 -2.13 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 3cma n PRO 225 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3cma n GLY 226 N 4.67 0.80 1.38 0.55 0.00 -1.26 -3.48 105.19 107.85 3cma n GLY 226 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 3cma n GLY 226 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cma n GLY 227 N -2.15 0.82 3.59 -0.02 0.00 0.11 -4.98 105.19 102.55 3cma n GLY 227 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3cma n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cma s ALA 228 N -2.86 3.41 0.87 4.61 0.00 -1.22 -4.31 121.76 122.26 3cma s ALA 228 Ca 0.00 -0.63 -0.12 0.00 0.00 0.00 0.00 51.96 51.22 3cma s ALA 228 Cb 0.00 -3.43 0.11 0.00 0.00 0.00 0.00 23.12 19.80 3cma s ALA 228 CO 0.00 -1.57 1.10 -2.14 0.00 0.00 0.00 175.76 173.15 3cma s PRO 229 N 3.25 1.48 0.00 0.00 0.02 -1.26 -4.14 135.00 134.34 3cma s PRO 229 Ca 0.33 0.67 0.00 0.00 0.02 0.00 0.00 61.00 62.03 3cma s PRO 229 Cb -0.13 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.55 3cma s PRO 229 CO 0.18 -2.05 0.00 0.41 -0.33 0.00 0.00 177.00 175.21 3cma n GLY 230 N -1.59 0.73 3.76 0.52 0.00 -1.26 -4.64 105.19 102.71 3cma n GLY 230 Ca 0.07 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 3cma n GLY 230 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cma s ARG 231 N -2.40 4.22 -0.66 1.61 3.52 -1.24 -3.95 118.95 120.05 3cma s ARG 231 Ca 0.00 0.43 -0.26 0.00 -0.13 0.00 0.00 55.73 55.77 3cma s ARG 231 Cb 0.00 -3.37 -0.06 0.00 -1.56 0.00 0.00 34.95 29.97 3cma s ARG 231 CO 0.00 0.33 2.11 -1.17 -0.81 0.00 0.00 175.30 175.76 3cma s LEU 232 N 0.06 3.24 0.00 -0.88 2.96 -1.26 -4.73 118.68 118.07 3cma s LEU 232 Ca 0.25 0.31 0.05 0.00 -0.22 0.00 0.00 54.13 54.52 3cma s LEU 232 Cb -0.16 -2.53 0.09 0.00 0.50 0.00 0.00 46.19 44.09 3cma s LEU 232 CO 0.11 -2.80 0.66 0.41 -1.32 0.00 0.00 176.35 173.41 3cma n THR 233 N 7.78 0.00 -3.15 3.68 -1.04 -1.26 -2.74 114.28 117.54 3cma n THR 233 Ca 0.32 -1.37 0.04 0.00 -2.04 0.00 0.00 64.05 61.01 3cma n THR 233 Cb 0.51 -0.77 -0.00 0.00 -1.82 0.00 0.00 70.33 68.25 3cma n THR 233 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3cma s VAL 234 N -1.92 -0.97 0.82 12.58 0.11 -0.83 -3.25 120.40 126.94 3cma s VAL 234 Ca 0.48 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.47 3cma s VAL 234 Cb -0.03 -0.98 0.17 0.00 -1.53 0.00 0.00 36.38 34.00 3cma s VAL 234 CO 0.31 0.00 1.13 -0.36 -3.33 0.00 0.00 175.10 172.84 3cma s PHE 235 N 2.85 1.26 0.01 1.54 0.40 0.40 -1.99 117.98 122.45 3cma s PHE 235 Ca 0.14 -0.21 0.08 0.00 -0.60 0.00 0.00 56.93 56.34 3cma s PHE 235 Cb -0.12 -3.37 -0.03 0.00 0.51 0.00 0.00 43.02 40.02 3cma s PHE 235 CO -0.24 -2.16 -0.23 -0.08 0.70 0.00 0.00 175.22 173.21 3cma s THR 236 N -3.42 2.32 0.18 0.64 -1.32 -1.04 -2.52 115.64 110.48 3cma s THR 236 Ca 0.71 -1.16 -0.15 0.00 -1.21 0.00 0.00 61.69 59.88 3cma s THR 236 Cb -0.03 -1.88 0.17 0.00 -1.51 0.00 0.00 72.50 69.25 3cma s THR 236 CO 0.48 0.48 1.24 1.21 -2.21 0.00 0.00 174.62 175.82 3cma n GLU 237 N 2.08 -0.20 0.01 7.08 4.07 -0.50 0.89 120.64 134.07 3cma n GLU 237 Ca -0.16 1.23 -0.10 0.00 -0.06 0.00 0.00 57.16 58.07 3cma n GLU 237 Cb 0.52 -1.82 0.05 0.00 -0.06 0.00 0.00 31.44 30.12 3cma n GLU 237 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 3cma h SER 238 N 0.00 0.60 0.47 4.31 0.02 -1.96 -3.21 113.55 113.78 3cma h SER 238 Ca 0.26 -0.34 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 3cma h SER 238 Cb 0.46 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 3cma h SER 238 CO -0.79 1.06 -0.28 0.00 -1.14 0.00 0.00 176.83 175.68 3cma h ALA 239 N 0.95 -0.71 -1.07 3.77 0.00 0.23 -2.45 119.26 119.97 3cma h ALA 239 Ca -0.00 -0.14 0.29 0.00 0.00 0.00 0.00 54.91 55.06 3cma h ALA 239 Cb 1.14 0.34 -0.10 0.00 0.00 0.00 0.00 17.79 19.18 3cma h ALA 239 CO 0.11 -0.91 0.69 1.25 0.00 0.00 0.00 179.25 180.39 3cma h LEU 240 N -0.71 0.43 -0.23 0.00 6.46 -0.15 0.37 115.31 121.48 3cma h LEU 240 Ca -0.05 0.10 -0.03 0.00 -0.12 0.00 0.00 57.88 57.77 3cma h LEU 240 Cb 0.58 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.53 3cma h LEU 240 CO 0.06 0.04 0.03 0.00 -0.62 0.00 0.00 178.44 177.95 3cma h ALA 241 N 1.63 0.31 0.02 1.25 0.00 -1.45 -3.01 119.26 118.01 3cma h ALA 241 Ca 0.63 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.35 3cma h ALA 241 Cb 1.65 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.35 3cma h ALA 241 CO -0.33 0.01 -0.01 0.93 0.00 0.00 0.00 179.25 179.85 3cma h GLU 242 N 0.19 -0.02 -0.50 0.00 5.08 -0.71 -2.72 114.58 115.90 3cma h GLU 242 Ca 0.07 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.58 3cma h GLU 242 Cb 0.35 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3cma h GLU 242 CO 0.01 0.34 0.69 0.28 -1.00 0.00 0.00 179.01 179.33 3cma h VAL 243 N -0.39 0.18 -0.54 3.13 2.07 -1.24 0.62 116.25 120.09 3cma h VAL 243 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3cma h VAL 243 Cb 0.37 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3cma h VAL 243 CO 0.00 0.00 0.29 0.00 0.02 0.00 0.00 177.57 177.88 3cma h ALA 244 N 1.09 0.69 -0.91 1.67 0.00 -1.33 -3.08 119.26 117.39 3cma h ALA 244 Ca 0.24 -0.10 -0.61 0.00 0.00 0.00 0.00 54.91 54.44 3cma h ALA 244 Cb 1.61 -0.21 -0.26 0.00 0.00 0.00 0.00 17.79 18.92 3cma h ALA 244 CO -0.00 0.22 0.79 0.39 0.00 0.00 0.00 179.25 180.64 3cma n GLU 245 N -4.61 2.51 0.00 0.00 1.02 0.21 -4.73 120.64 115.04 3cma n GLU 245 Ca 0.03 -2.97 0.14 0.00 -0.02 0.00 0.00 57.16 54.34 3cma n GLU 245 Cb 0.09 -2.16 0.46 0.00 -0.02 0.00 0.00 31.44 29.81 3cma n GLU 245 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85