#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cma s HIS 2 N 0.00 2.82 -0.31 1.12 3.76 0.76 -4.43 115.29 119.01 3cma s HIS 2 Ca 0.00 -0.10 -0.10 0.00 -0.15 0.00 0.00 55.06 54.71 3cma s HIS 2 Cb 0.00 -1.50 -0.01 0.00 1.11 0.00 0.00 32.58 32.18 3cma s HIS 2 CO 0.00 0.41 0.15 0.00 -0.85 0.00 0.00 174.74 174.46 3cma s ALA 3 N -1.16 3.28 -0.07 -1.40 0.00 0.17 -0.18 121.76 122.41 3cma s ALA 3 Ca 0.21 -1.38 -0.10 0.00 0.00 0.00 0.00 51.96 50.68 3cma s ALA 3 Cb -0.11 -2.38 -0.05 0.00 0.00 0.00 0.00 23.12 20.58 3cma s ALA 3 CO 0.12 -0.89 0.25 -0.51 0.00 0.00 0.00 175.76 174.73 3cma s LEU 4 N 1.62 4.42 -0.03 0.00 1.43 0.11 -3.32 118.68 122.91 3cma s LEU 4 Ca 0.05 0.68 0.00 0.00 -1.03 0.00 0.00 54.13 53.83 3cma s LEU 4 Cb -0.17 -2.29 0.03 0.00 0.03 0.00 0.00 46.19 43.79 3cma s LEU 4 CO 0.06 0.37 0.01 -0.69 0.23 0.00 0.00 176.35 176.34 3cma s VAL 5 N -1.03 0.10 -0.03 -1.59 1.01 -0.46 -0.36 120.40 118.04 3cma s VAL 5 Ca 0.19 0.14 -0.29 0.00 0.00 0.00 0.00 61.98 62.02 3cma s VAL 5 Cb -0.14 -0.21 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 3cma s VAL 5 CO 0.08 0.13 0.93 -1.58 0.00 0.00 0.00 175.10 174.66 3cma s GLN 6 N 1.12 4.51 -0.00 2.72 0.74 -1.07 -1.43 119.66 126.25 3cma s GLN 6 Ca -0.08 1.31 0.01 0.00 0.05 0.00 0.00 55.36 56.65 3cma s GLN 6 Cb -0.13 -3.47 -0.01 0.00 1.10 0.00 0.00 33.01 30.49 3cma s GLN 6 CO -0.02 -0.07 0.05 1.28 -0.55 0.00 0.00 175.29 175.97 3cma n LEU 7 N 4.05 0.05 -4.24 3.68 4.77 -0.83 -0.59 117.00 123.89 3cma n LEU 7 Ca 0.05 -0.44 -0.28 0.00 -0.03 0.00 0.00 56.01 55.31 3cma n LEU 7 Cb 0.51 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.44 3cma n LEU 7 CO 0.51 0.01 -0.54 -0.13 -1.33 0.00 0.00 177.39 175.91 3cma s ARG 8 N -1.22 1.82 1.30 3.23 0.52 -1.18 -4.95 118.95 118.47 3cma s ARG 8 Ca 0.00 -0.78 -0.17 0.00 -0.52 0.00 0.00 55.73 54.26 3cma s ARG 8 Cb 0.01 -1.74 0.33 0.00 0.52 0.00 0.00 34.95 34.07 3cma s ARG 8 CO 0.05 0.46 0.98 0.20 0.02 0.00 0.00 175.30 177.00 3cma s GLY 9 N -0.48 1.48 0.13 -3.53 0.00 -1.26 -4.91 107.32 98.75 3cma s GLY 9 Ca 0.07 -0.44 0.12 0.00 0.00 0.00 0.00 44.72 44.47 3cma s GLY 9 CO -0.01 0.42 1.14 1.05 0.00 0.00 0.00 173.10 175.71 3cma h GLU 10 N -3.04 0.00 -6.58 2.90 4.11 -1.98 -3.43 114.58 106.55 3cma h GLU 10 Ca -0.55 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.36 3cma h GLU 10 Cb 1.34 0.00 0.04 0.00 0.50 0.00 0.00 28.75 30.63 3cma h GLU 10 CO 0.41 0.65 0.94 0.08 0.07 0.00 0.00 179.01 181.15 3cma s VAL 11 N -2.80 2.59 0.00 -1.06 1.01 -1.26 -1.71 120.40 117.17 3cma s VAL 11 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.34 3cma s VAL 11 Cb 0.09 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.24 3cma s VAL 11 CO 0.80 0.02 0.00 0.59 0.00 0.00 0.00 175.10 176.51 3cma n ASN 12 N 4.35 0.00 -4.72 3.32 3.02 -1.26 -5.00 115.26 114.97 3cma n ASN 12 Ca 0.15 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.29 3cma n ASN 12 Cb 0.38 -0.40 -0.04 0.00 -0.61 0.00 0.00 39.78 39.11 3cma n ASN 12 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 3cma s MET 13 N -0.16 4.55 0.36 3.52 -2.45 -0.69 -4.98 119.30 119.44 3cma s MET 13 Ca 0.00 1.24 -0.25 0.00 -1.25 0.00 0.00 55.69 55.44 3cma s MET 13 Cb 0.00 -3.42 -0.14 0.00 1.25 0.00 0.00 34.83 32.52 3cma s MET 13 CO 0.00 0.10 0.64 0.72 1.05 0.00 0.00 175.02 177.53 3cma n HIS 14 N 3.41 -0.11 -0.04 4.11 8.25 -1.26 -4.75 115.22 124.83 3cma n HIS 14 Ca 0.02 0.68 -0.11 0.00 -0.26 0.00 0.00 57.72 58.05 3cma n HIS 14 Cb 0.51 -2.04 -0.06 0.00 1.12 0.00 0.00 29.99 29.52 3cma n HIS 14 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3cma h THR 15 N 1.10 1.18 -0.22 1.59 2.02 -1.96 -1.54 112.91 115.08 3cma h THR 15 Ca -0.38 -0.56 -0.02 0.00 0.77 0.00 0.00 66.41 66.22 3cma h THR 15 Cb 1.39 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 69.07 3cma h THR 15 CO 0.54 0.17 0.04 -2.24 0.37 0.00 0.00 175.52 174.41 3cma h ASP 16 N 0.06 0.28 -0.56 4.18 2.03 -1.99 0.18 116.42 120.60 3cma h ASP 16 Ca 0.05 -0.03 -0.11 0.00 -0.73 0.00 0.00 57.03 56.21 3cma h ASP 16 Cb 0.22 -0.07 -0.02 0.00 -0.83 0.00 0.00 39.33 38.63 3cma h ASP 16 CO -0.00 0.30 -0.08 0.40 -1.03 0.00 0.00 179.24 178.83 3cma h ILE 17 N 0.31 1.27 -0.13 4.15 2.04 -1.86 -1.31 117.51 121.99 3cma h ILE 17 Ca 0.08 -1.24 -0.13 0.00 1.00 0.00 0.00 64.86 64.56 3cma h ILE 17 Cb 0.14 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 3cma h ILE 17 CO -0.00 0.44 -0.51 -0.61 0.00 0.00 0.00 178.15 177.48 3cma h GLN 18 N 0.94 0.35 -0.29 2.37 4.15 -0.13 -2.30 115.11 120.20 3cma h GLN 18 Ca 0.15 -0.20 -0.13 0.00 0.77 0.00 0.00 58.65 59.24 3cma h GLN 18 Cb 0.65 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 3cma h GLN 18 CO 0.04 0.77 -0.35 -0.44 -1.93 0.00 0.00 178.83 176.93 3cma h ASP 19 N 0.27 0.68 -0.27 -0.69 3.32 -0.53 -2.58 116.42 116.63 3cma h ASP 19 Ca 0.01 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.77 3cma h ASP 19 Cb 0.99 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 3cma h ASP 19 CO 0.08 0.97 0.17 0.74 -1.72 0.00 0.00 179.24 179.49 3cma h THR 20 N 0.55 1.09 -0.77 0.35 2.02 -0.98 -0.59 112.91 114.57 3cma h THR 20 Ca 0.06 -0.19 0.08 0.00 0.77 0.00 0.00 66.41 67.13 3cma h THR 20 Cb 0.86 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.94 3cma h THR 20 CO 0.07 0.08 0.51 -0.07 0.37 0.00 0.00 175.52 176.48 3cma h LEU 21 N 0.35 0.67 -0.37 2.58 3.38 -1.19 -1.39 115.31 119.34 3cma h LEU 21 Ca 0.10 0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.91 3cma h LEU 21 Cb -0.01 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3cma h LEU 21 CO -0.02 0.41 -0.50 -0.33 0.09 0.00 0.00 178.44 178.10 3cma h GLU 22 N 0.75 0.83 0.00 1.13 5.08 -0.99 -1.51 114.58 119.88 3cma h GLU 22 Ca 0.35 -0.50 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 3cma h GLU 22 Cb 0.36 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 3cma h GLU 22 CO -0.13 1.13 -0.06 0.52 -1.00 0.00 0.00 179.01 179.48 3cma h MET 23 N 0.65 0.00 -0.87 2.33 2.86 -0.08 0.38 114.93 120.20 3cma h MET 23 Ca 0.03 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.49 3cma h MET 23 Cb 1.09 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.65 3cma h MET 23 CO 0.11 0.06 0.22 1.28 1.06 0.00 0.00 176.91 179.64 3cma n LEU 24 N -3.61 4.79 -1.73 1.22 4.77 -0.75 -4.90 117.00 116.80 3cma n LEU 24 Ca -0.02 -2.49 -0.14 0.00 -0.03 0.00 0.00 56.01 53.32 3cma n LEU 24 Cb 0.16 -0.67 -0.04 0.00 -2.33 0.00 0.00 43.42 40.54 3cma n LEU 24 CO 0.28 0.68 -0.15 0.59 -1.33 0.00 0.00 177.39 177.46 3cma n ASN 25 N -0.10 -3.97 -4.36 -1.43 3.02 0.13 -4.81 115.26 103.74 3cma n ASN 25 Ca 0.29 0.29 -0.35 0.00 -0.03 0.00 0.00 54.58 54.78 3cma n ASN 25 Cb 1.08 -3.56 -0.14 0.00 -0.61 0.00 0.00 39.78 36.55 3cma n ASN 25 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 3cma s ILE 26 N -2.37 3.53 -0.05 2.41 2.07 -0.61 -4.52 121.20 121.66 3cma s ILE 26 Ca 0.00 -0.45 0.00 0.00 -1.41 0.00 0.00 60.65 58.79 3cma s ILE 26 Cb 0.00 -2.59 0.00 0.00 0.13 0.00 0.00 42.46 40.00 3cma s ILE 26 CO 0.00 0.44 0.42 1.41 -1.91 0.00 0.00 174.94 175.30 3cma n HIS 27 N 4.46 0.00 -4.12 3.50 8.25 -1.26 -3.50 115.22 122.55 3cma n HIS 27 Ca -0.18 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.18 3cma n HIS 27 Cb 0.51 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.53 3cma n HIS 27 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3cma s HIS 28 N -0.22 0.80 0.42 4.41 3.76 -1.26 -5.10 115.29 118.10 3cma s HIS 28 Ca 0.00 -1.15 -0.24 0.00 -0.15 0.00 0.00 55.06 53.52 3cma s HIS 28 Cb 0.00 -0.40 -0.08 0.00 1.11 0.00 0.00 32.58 33.21 3cma s HIS 28 CO 0.01 -0.58 1.14 0.08 -0.85 0.00 0.00 174.74 174.54 3cma s VAL 29 N -4.05 3.27 0.00 -0.90 1.01 -1.26 -2.75 120.40 115.72 3cma s VAL 29 Ca 0.25 1.01 0.00 0.00 0.00 0.00 0.00 61.98 63.23 3cma s VAL 29 Cb 0.06 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.91 3cma s VAL 29 CO 0.03 0.04 0.00 0.59 0.00 0.00 0.00 175.10 175.76 3cma n ASN 30 N -0.12 -1.28 -4.75 3.32 3.02 0.24 -4.96 115.26 110.73 3cma n ASN 30 Ca 0.05 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.21 3cma n ASN 30 Cb 0.48 -0.63 -0.05 0.00 -0.61 0.00 0.00 39.78 38.96 3cma n ASN 30 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3cma s HIS 31 N -2.89 3.71 -0.07 3.10 3.76 -1.11 -2.64 115.29 119.15 3cma s HIS 31 Ca 0.00 1.37 0.01 0.00 -0.15 0.00 0.00 55.06 56.30 3cma s HIS 31 Cb 0.00 -2.75 -0.03 0.00 1.11 0.00 0.00 32.58 30.91 3cma s HIS 31 CO 0.00 0.29 -0.09 0.00 -0.85 0.00 0.00 174.74 174.09 3cma s THR 33 N -0.73 1.50 -0.39 0.00 -1.32 0.52 -0.42 115.64 114.79 3cma s THR 33 Ca 0.11 -1.66 -0.06 0.00 -1.21 0.00 0.00 61.69 58.87 3cma s THR 33 Cb -0.11 -1.54 0.08 0.00 -1.51 0.00 0.00 72.50 69.42 3cma s THR 33 CO 0.01 -0.28 0.19 -0.76 -2.21 0.00 0.00 174.62 171.57 3cma s LEU 34 N -2.27 4.89 -0.13 9.08 1.43 -1.26 0.07 118.68 130.50 3cma s LEU 34 Ca 0.08 -1.59 -0.02 0.00 -1.03 0.00 0.00 54.13 51.57 3cma s LEU 34 Cb -0.07 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 3cma s LEU 34 CO 0.04 -0.47 -0.06 0.54 0.23 0.00 0.00 176.35 176.63 3cma s VAL 35 N 1.31 3.70 1.06 -1.59 0.11 0.75 -4.94 120.40 120.80 3cma s VAL 35 Ca 0.03 -0.44 -0.12 0.00 -2.93 0.00 0.00 61.98 58.52 3cma s VAL 35 Cb -0.22 -2.59 0.22 0.00 -1.53 0.00 0.00 36.38 32.26 3cma s VAL 35 CO -0.00 0.52 1.07 -2.84 -3.33 0.00 0.00 175.10 170.52 3cma s PRO 36 N 0.12 -0.08 -0.76 1.54 0.02 -1.26 -0.17 135.00 134.41 3cma s PRO 36 Ca -0.02 1.08 -0.08 0.00 0.02 0.00 0.00 61.00 62.00 3cma s PRO 36 Cb -0.14 -1.63 0.20 0.00 0.02 0.00 0.00 34.50 32.94 3cma s PRO 36 CO 0.03 -3.23 0.64 -1.21 -0.33 0.00 0.00 177.00 172.90 3cma s GLU 37 N -4.57 3.15 0.28 5.54 2.02 -1.26 -4.66 118.70 119.21 3cma s GLU 37 Ca 0.67 -2.58 0.08 0.00 0.02 0.00 0.00 54.97 53.17 3cma s GLU 37 Cb -0.24 -4.10 -0.06 0.00 0.10 0.00 0.00 34.13 29.84 3cma s GLU 37 CO 0.62 -1.24 -0.10 0.99 0.02 0.00 0.00 175.26 175.55 3cma s THR 38 N -0.10 1.94 0.14 3.63 2.01 -1.26 -4.96 115.64 117.04 3cma s THR 38 Ca 0.19 -2.20 -0.21 0.00 0.31 0.00 0.00 61.69 59.77 3cma s THR 38 Cb -0.14 -2.41 -0.00 0.00 0.01 0.00 0.00 72.50 69.95 3cma s THR 38 CO -0.07 -0.34 1.67 0.44 -0.69 0.00 0.00 174.62 175.64 3cma h ASP 39 N 2.26 -0.42 0.42 3.53 3.32 -1.99 0.10 116.42 123.63 3cma h ASP 39 Ca -0.40 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 56.73 3cma h ASP 39 Cb 1.24 0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.99 3cma h ASP 39 CO 0.66 -0.17 -0.36 0.00 -1.72 0.00 0.00 179.24 177.65 3cma h ALA 40 N 1.00 -0.80 -0.34 3.45 0.00 -1.99 -2.19 119.26 118.38 3cma h ALA 40 Ca 0.11 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.95 3cma h ALA 40 Cb 0.30 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3cma h ALA 40 CO -0.27 -0.98 0.23 1.88 0.00 0.00 0.00 179.25 180.12 3cma h TYR 41 N -0.78 0.15 -0.36 0.00 0.99 -1.84 -2.44 116.97 112.70 3cma h TYR 41 Ca -0.04 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.68 3cma h TYR 41 Cb 0.68 -0.05 -0.02 0.00 1.00 0.00 0.00 36.73 38.34 3cma h TYR 41 CO -0.17 0.08 0.14 0.00 -0.00 0.00 0.00 178.16 178.21 3cma h ARG 42 N 0.15 0.53 -0.43 4.88 3.08 -0.19 -1.20 114.38 121.21 3cma h ARG 42 Ca 0.15 -0.10 0.09 0.00 0.07 0.00 0.00 59.98 60.19 3cma h ARG 42 Cb 0.41 -0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.30 3cma h ARG 42 CO -0.02 0.52 -0.07 0.78 -1.07 0.00 0.00 179.97 180.11 3cma h GLY 43 N 0.43 0.36 0.75 0.04 0.00 -1.05 -0.07 103.07 103.53 3cma h GLY 43 Ca 0.12 0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.56 3cma h GLY 43 CO -0.01 -0.15 -0.25 -0.33 0.00 0.00 0.00 176.54 175.80 3cma h MET 44 N 0.04 -0.54 -0.21 4.80 2.86 -1.42 -1.50 114.93 118.96 3cma h MET 44 Ca 0.21 0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.89 3cma h MET 44 Cb 0.32 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 3cma h MET 44 CO -0.42 -0.36 0.13 -0.39 1.06 0.00 0.00 176.91 176.94 3cma h VAL 45 N -0.56 1.06 -0.52 -2.22 -1.51 -0.76 -1.35 116.25 110.40 3cma h VAL 45 Ca -0.01 -0.13 -0.11 0.00 -1.23 0.00 0.00 66.70 65.21 3cma h VAL 45 Cb 0.50 0.76 -0.02 0.00 -2.13 0.00 0.00 31.29 30.40 3cma h VAL 45 CO -0.03 0.06 -0.12 0.00 -1.23 0.00 0.00 177.57 176.25 3cma h ALA 46 N 1.85 0.80 -0.19 5.19 0.00 -0.63 -0.33 119.26 125.95 3cma h ALA 46 Ca 0.08 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 3cma h ALA 46 Cb -0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3cma h ALA 46 CO -0.02 0.66 -0.13 -0.22 0.00 0.00 0.00 179.25 179.54 3cma h LYS 47 N 0.87 0.30 -0.01 0.00 3.64 -0.22 -2.34 116.57 118.81 3cma h LYS 47 Ca 0.13 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3cma h LYS 47 Cb 0.68 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3cma h LYS 47 CO 0.05 0.44 -0.26 0.28 -2.27 0.00 0.00 179.45 177.69 3cma n VAL 48 N -4.25 0.00 -0.43 2.00 0.31 -0.78 -4.58 118.33 110.60 3cma n VAL 48 Ca -0.00 -0.25 0.35 0.00 -0.01 0.00 0.00 64.34 64.42 3cma n VAL 48 Cb 0.29 0.89 0.56 0.00 -0.91 0.00 0.00 33.84 34.66 3cma n VAL 48 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3cma n ASN 49 N -0.00 0.09 -0.28 4.52 2.85 -0.16 -0.63 115.26 121.65 3cma n ASN 49 Ca 0.12 0.90 0.13 0.00 -0.11 0.00 0.00 54.58 55.62 3cma n ASN 49 Cb 0.43 -0.45 0.34 0.00 1.24 0.00 0.00 39.78 41.35 3cma n ASN 49 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 3cma n ASP 50 N -3.84 1.14 0.00 1.20 8.00 -1.26 -3.10 116.55 118.69 3cma n ASP 50 Ca 0.32 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.84 3cma n ASP 50 Cb 1.32 0.17 0.00 0.00 -0.02 0.00 0.00 41.12 42.59 3cma n ASP 50 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3cma n PHE 51 N -0.56 0.00 -4.49 1.24 3.01 0.20 -4.92 117.46 111.94 3cma n PHE 51 Ca 0.12 -0.33 -0.23 0.00 1.01 0.00 0.00 57.45 58.01 3cma n PHE 51 Cb 0.36 -0.03 -0.06 0.00 -0.01 0.00 0.00 39.48 39.74 3cma n PHE 51 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 3cma n VAL 52 N -0.33 0.00 -3.70 -4.37 0.24 -1.13 -1.96 118.33 107.07 3cma n VAL 52 Ca 0.00 -1.98 -0.14 0.00 -2.04 0.00 0.00 64.34 60.17 3cma n VAL 52 Cb 0.28 0.60 -0.14 0.00 -1.47 0.00 0.00 33.84 33.11 3cma n VAL 52 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3cma s ALA 53 N -2.85 -0.37 0.14 2.33 0.00 -0.52 -1.48 121.76 119.01 3cma s ALA 53 Ca 0.11 0.78 -0.10 0.00 0.00 0.00 0.00 51.96 52.75 3cma s ALA 53 Cb 0.01 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 22.41 3cma s ALA 53 CO 0.08 -0.38 0.28 -0.59 0.00 0.00 0.00 175.76 175.15 3cma s PHE 54 N 1.77 0.21 -2.14 0.00 -0.12 -0.58 -1.35 117.98 115.77 3cma s PHE 54 Ca -0.04 -0.60 0.00 0.00 -0.05 0.00 0.00 56.93 56.25 3cma s PHE 54 Cb -0.11 0.01 0.00 0.00 -0.63 0.00 0.00 43.02 42.28 3cma s PHE 54 CO -0.07 -0.67 0.00 0.41 -0.05 0.00 0.00 175.22 174.84 3cma n GLY 55 N -0.17 -1.56 3.56 1.99 0.00 -1.21 0.14 105.19 107.94 3cma n GLY 55 Ca -0.11 -1.06 -0.37 0.00 0.00 0.00 0.00 46.02 44.49 3cma n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3cma s GLU 56 N -1.36 3.88 0.60 1.61 2.12 -1.26 -0.65 118.70 123.64 3cma s GLU 56 Ca 0.00 -0.37 -0.09 0.00 0.36 0.00 0.00 54.97 54.87 3cma s GLU 56 Cb 0.00 -3.44 -0.02 0.00 0.26 0.00 0.00 34.13 30.93 3cma s GLU 56 CO 0.00 -0.06 0.97 -1.25 -0.54 0.00 0.00 175.26 174.39 3cma s PRO 57 N 1.33 3.31 0.41 4.30 0.04 -1.26 -4.25 135.00 138.88 3cma s PRO 57 Ca 0.06 0.45 -0.17 0.00 0.04 0.00 0.00 61.00 61.38 3cma s PRO 57 Cb -0.15 -2.16 -0.09 0.00 0.04 0.00 0.00 34.50 32.14 3cma s PRO 57 CO 0.05 -0.62 0.86 -1.54 0.04 0.00 0.00 177.00 175.80 3cma s SER 58 N -4.22 6.78 0.21 6.66 1.04 -1.26 -4.85 113.70 118.05 3cma s SER 58 Ca 0.54 1.46 -0.17 0.00 0.48 0.00 0.00 55.95 58.26 3cma s SER 58 Cb -0.11 -2.45 0.20 0.00 0.10 0.00 0.00 66.02 63.76 3cma s SER 58 CO 0.50 -0.35 1.59 -0.61 0.98 0.00 0.00 173.24 175.35 3cma h GLN 59 N 1.77 -0.09 0.02 4.02 5.75 -1.97 -0.03 115.11 124.58 3cma h GLN 59 Ca -0.48 0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.05 3cma h GLN 59 Cb 1.18 0.02 -0.05 0.00 1.07 0.00 0.00 27.48 29.70 3cma h GLN 59 CO 0.63 -0.06 -0.44 0.93 -2.65 0.00 0.00 178.83 177.24 3cma h GLU 60 N -0.09 -0.59 -0.04 1.69 5.08 -1.99 -1.74 114.58 116.91 3cma h GLU 60 Ca 0.29 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.72 3cma h GLU 60 Cb 0.55 0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.88 3cma h GLU 60 CO -0.74 -0.39 -0.34 1.15 -1.00 0.00 0.00 179.01 177.69 3cma h THR 61 N -0.61 0.27 -0.35 1.13 2.02 -1.55 0.26 112.91 114.08 3cma h THR 61 Ca 0.04 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.32 3cma h THR 61 Cb 0.67 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 3cma h THR 61 CO -0.31 0.00 0.35 0.25 0.37 0.00 0.00 175.52 176.18 3cma h LEU 62 N -0.47 0.00 -0.02 2.58 5.85 -0.88 0.43 115.31 122.79 3cma h LEU 62 Ca 0.07 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.71 3cma h LEU 62 Cb 0.57 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.61 3cma h LEU 62 CO -0.30 0.00 -0.31 -0.33 -0.34 0.00 0.00 178.44 177.16 3cma h GLU 63 N 0.00 0.24 -0.17 1.25 5.08 0.34 -1.47 114.58 119.85 3cma h GLU 63 Ca 0.17 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3cma h GLU 63 Cb 0.87 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 3cma h GLU 63 CO -0.00 0.93 0.07 1.15 -1.00 0.00 0.00 179.01 180.16 3cma h THR 64 N -0.36 0.98 -0.50 1.13 2.02 0.11 -0.63 112.91 115.66 3cma h THR 64 Ca -0.03 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 3cma h THR 64 Cb 1.02 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 68.21 3cma h THR 64 CO 0.06 0.03 0.26 0.58 0.37 0.00 0.00 175.52 176.82 3cma h VAL 65 N 0.16 1.18 -0.61 3.16 2.07 -1.21 0.29 116.25 121.31 3cma h VAL 65 Ca 0.07 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3cma h VAL 65 Cb 0.03 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3cma h VAL 65 CO -0.06 0.20 0.38 -0.07 0.02 0.00 0.00 177.57 178.04 3cma h LEU 66 N 0.66 0.71 -0.91 2.57 3.38 -0.96 0.13 115.31 120.90 3cma h LEU 66 Ca 0.17 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 3cma h LEU 66 Cb 0.09 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3cma h LEU 66 CO -0.02 0.54 -0.45 0.00 0.09 0.00 0.00 178.44 178.60 3cma h ALA 67 N 1.20 1.08 0.00 1.53 0.00 -0.86 -1.79 119.26 120.42 3cma h ALA 67 Ca 0.22 -0.44 -0.22 0.00 0.00 0.00 0.00 54.91 54.47 3cma h ALA 67 Cb -0.05 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3cma h ALA 67 CO -0.04 0.61 -1.40 0.00 0.00 0.00 0.00 179.25 178.42 3cma h THR 68 N 0.17 0.87 0.00 0.00 1.03 -0.53 -3.43 112.91 111.02 3cma h THR 68 Ca 0.01 -2.54 0.00 0.00 -0.01 0.00 0.00 66.41 63.87 3cma h THR 68 Cb 0.87 2.36 0.00 0.00 -1.07 0.00 0.00 68.15 70.31 3cma h THR 68 CO 0.07 0.49 0.00 0.54 -0.01 0.00 0.00 175.52 176.61 3cma n ARG 69 N -3.06 -0.05 -2.33 0.00 5.12 0.41 -5.07 116.66 111.68 3cma n ARG 69 Ca -0.10 -0.26 -0.36 0.00 -1.93 0.00 0.00 57.85 55.20 3cma n ARG 69 Cb 0.94 -0.63 -0.01 0.00 -1.16 0.00 0.00 32.46 31.60 3cma n ARG 69 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3cma s ALA 70 N -0.05 2.87 0.06 7.54 0.00 -0.67 -4.27 121.76 127.23 3cma s ALA 70 Ca 0.00 0.83 -0.01 0.00 0.00 0.00 0.00 51.96 52.78 3cma s ALA 70 Cb 0.00 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 3cma s ALA 70 CO 0.00 -0.61 -0.03 -1.21 0.00 0.00 0.00 175.76 173.91 3cma s GLU 71 N -2.97 0.64 1.09 0.00 2.02 -1.26 -4.46 118.70 113.76 3cma s GLU 71 Ca 0.67 -1.24 -0.18 0.00 0.02 0.00 0.00 54.97 54.24 3cma s GLU 71 Cb -0.24 0.16 0.26 0.00 0.10 0.00 0.00 34.13 34.40 3cma s GLU 71 CO 0.29 -0.10 1.25 -2.14 0.02 0.00 0.00 175.26 174.58 3cma s PRO 72 N -3.91 -0.40 0.45 0.39 0.02 -1.26 0.00 135.00 130.29 3cma s PRO 72 Ca 0.08 -0.36 0.25 0.00 0.02 0.00 0.00 61.00 60.99 3cma s PRO 72 Cb 0.08 -1.72 0.79 0.00 0.02 0.00 0.00 34.50 33.67 3cma s PRO 72 CO -0.09 -3.12 1.77 -0.07 -0.33 0.00 0.00 177.00 175.16 3cma h LEU 73 N -2.15 0.00 -7.36 -5.54 4.07 -1.74 -3.19 115.31 99.40 3cma h LEU 73 Ca -0.44 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.41 3cma h LEU 73 Cb 1.25 0.00 -0.21 0.00 1.08 0.00 0.00 40.66 42.78 3cma h LEU 73 CO 0.32 0.15 -0.19 -1.61 -1.08 0.00 0.00 178.44 176.03 3cma s GLU 74 N -3.46 0.67 0.00 1.13 2.02 -1.26 -4.91 118.70 112.88 3cma s GLU 74 Ca 0.03 0.13 0.00 0.00 0.02 0.00 0.00 54.97 55.15 3cma s GLU 74 Cb 0.08 0.31 0.00 0.00 0.10 0.00 0.00 34.13 34.62 3cma s GLU 74 CO 0.63 -0.16 0.00 0.41 0.02 0.00 0.00 175.26 176.16 3cma n GLY 75 N 1.74 -0.54 0.53 -1.39 0.00 -1.26 -4.69 105.19 99.57 3cma n GLY 75 Ca -0.18 -1.78 0.06 0.00 0.00 0.00 0.00 46.02 44.11 3cma n GLY 75 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cma n ASP 76 N -0.67 2.25 0.00 1.61 8.00 -1.26 -4.57 116.55 121.91 3cma n ASP 76 Ca 0.00 -1.63 0.00 0.00 0.71 0.00 0.00 54.79 53.87 3cma n ASP 76 Cb 0.00 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 3cma n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cma n ALA 77 N 0.64 0.00 -3.75 2.24 0.00 -1.26 -4.77 120.51 113.61 3cma n ALA 77 Ca 0.08 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.37 3cma n ALA 77 Cb 0.33 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.62 3cma n ALA 77 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3cma s ASP 78 N -2.45 0.07 -0.59 0.00 3.68 -1.26 -4.65 116.67 111.48 3cma s ASP 78 Ca 0.00 0.04 -0.19 0.00 2.13 0.00 0.00 52.55 54.53 3cma s ASP 78 Cb 0.00 -0.07 0.10 0.00 -1.45 0.00 0.00 42.92 41.50 3cma s ASP 78 CO 0.00 -0.13 0.69 -0.69 0.13 0.00 0.00 175.17 175.17 3cma s VAL 79 N 1.06 4.84 0.20 1.11 1.01 -1.26 -4.68 120.40 122.67 3cma s VAL 79 Ca -0.09 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 60.90 3cma s VAL 79 Cb -0.13 -4.48 -0.01 0.00 0.00 0.00 0.00 36.38 31.77 3cma s VAL 79 CO -0.03 -1.11 0.06 -0.90 0.00 0.00 0.00 175.10 173.12 3cma n ASP 80 N 6.27 1.21 -0.15 3.32 5.68 -1.26 -4.70 116.55 126.92 3cma n ASP 80 Ca -0.10 -2.02 -0.03 0.00 -0.50 0.00 0.00 54.79 52.15 3cma n ASP 80 Cb 0.42 0.46 0.06 0.00 -1.14 0.00 0.00 41.12 40.92 3cma n ASP 80 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3cma h ASP 81 N 0.75 -0.09 -0.82 -1.12 3.32 -1.94 0.64 116.42 117.16 3cma h ASP 81 Ca -0.15 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 3cma h ASP 81 Cb 0.57 0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.24 3cma h ASP 81 CO 0.24 -0.02 0.42 -0.08 -1.72 0.00 0.00 179.24 178.08 3cma h GLU 82 N 0.17 1.17 0.44 3.56 4.81 -1.96 0.17 114.58 122.94 3cma h GLU 82 Ca 0.24 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 3cma h GLU 82 Cb 0.34 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.51 3cma h GLU 82 CO -0.35 0.88 -0.21 2.35 -0.73 0.00 0.00 179.01 180.95 3cma h TRP 83 N 1.15 -0.54 -0.27 0.92 7.01 -1.49 -1.97 115.95 120.75 3cma h TRP 83 Ca 0.28 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.33 3cma h TRP 83 Cb 0.08 0.18 -0.08 0.00 -2.10 0.00 0.00 29.16 27.25 3cma h TRP 83 CO 0.01 -0.27 -0.41 0.28 -2.79 0.00 0.00 178.44 175.26 3cma h VAL 84 N -0.74 0.14 -0.58 2.65 2.07 0.55 -1.20 116.25 119.15 3cma h VAL 84 Ca -0.06 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.58 3cma h VAL 84 Cb 0.52 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 3cma h VAL 84 CO 0.10 0.00 0.39 0.00 0.02 0.00 0.00 177.57 178.08 3cma h ALA 85 N 0.30 2.18 -0.01 1.67 0.00 -0.61 0.37 119.26 123.15 3cma h ALA 85 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3cma h ALA 85 Cb 0.60 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3cma h ALA 85 CO -0.48 -0.32 -0.22 0.39 0.00 0.00 0.00 179.25 178.62 3cma n GLU 86 N -4.45 1.25 0.00 0.00 1.02 -0.54 -4.48 120.64 113.45 3cma n GLU 86 Ca 0.10 -0.85 0.00 0.00 -0.02 0.00 0.00 57.16 56.39 3cma n GLU 86 Cb 0.46 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 3cma n GLU 86 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3cma n HIS 87 N -0.13 0.00 -3.62 -0.32 8.25 -0.68 -5.08 115.22 113.64 3cma n HIS 87 Ca 0.13 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.38 3cma n HIS 87 Cb 0.40 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.47 3cma n HIS 87 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3cma s THR 88 N -0.75 2.62 -1.51 1.59 2.01 0.12 -4.81 115.64 114.91 3cma s THR 88 Ca 0.00 -1.38 0.00 0.00 0.31 0.00 0.00 61.69 60.62 3cma s THR 88 Cb 0.00 -3.00 0.00 0.00 0.01 0.00 0.00 72.50 69.51 3cma s THR 88 CO 0.00 -0.00 0.66 0.47 -0.69 0.00 0.00 174.62 175.06 3cma n ASP 89 N -1.51 0.43 -2.43 3.53 8.00 -1.26 -4.77 116.55 118.53 3cma n ASP 89 Ca 0.03 -1.74 -0.06 0.00 0.71 0.00 0.00 54.79 53.73 3cma n ASP 89 Cb 0.62 -0.21 -0.01 0.00 -0.02 0.00 0.00 41.12 41.49 3cma n ASP 89 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3cma n TYR 90 N -0.22 0.20 -0.04 1.24 4.02 -1.26 -5.08 117.16 116.01 3cma n TYR 90 Ca 0.00 -0.49 -0.04 0.00 -0.01 0.00 0.00 57.90 57.36 3cma n TYR 90 Cb 0.11 -0.05 -0.07 0.00 -0.02 0.00 0.00 39.34 39.31 3cma n TYR 90 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3cma n ASP 91 N -1.20 2.94 -4.00 7.72 8.00 -1.26 -4.17 116.55 124.59 3cma n ASP 91 Ca -0.04 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.37 3cma n ASP 91 Cb 0.12 0.71 -0.05 0.00 -0.02 0.00 0.00 41.12 41.88 3cma n ASP 91 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 3cma s ASP 92 N -4.02 -0.09 0.20 -2.24 -4.77 -1.26 -3.95 116.67 100.53 3cma s ASP 92 Ca -0.04 -0.92 -0.11 0.00 -3.30 0.00 0.00 52.55 48.17 3cma s ASP 92 Cb 0.02 0.58 0.26 0.00 -1.09 0.00 0.00 42.92 42.70 3cma s ASP 92 CO 0.34 -1.14 1.70 0.40 0.70 0.00 0.00 175.17 177.17 3cma h ILE 93 N 2.26 0.63 -0.65 2.11 2.04 -1.86 -1.18 117.51 120.86 3cma h ILE 93 Ca -0.26 -0.07 0.13 0.00 1.00 0.00 0.00 64.86 65.66 3cma h ILE 93 Cb 1.25 0.40 -0.10 0.00 -0.74 0.00 0.00 36.82 37.63 3cma h ILE 93 CO 0.35 0.04 0.11 0.28 0.00 0.00 0.00 178.15 178.94 3cma h SER 94 N 0.21 -0.06 -0.37 1.72 0.02 -1.96 0.34 113.55 113.45 3cma h SER 94 Ca 0.29 0.13 0.05 0.00 -0.84 0.00 0.00 61.79 61.42 3cma h SER 94 Cb 0.43 0.20 -0.04 0.00 0.14 0.00 0.00 62.40 63.13 3cma h SER 94 CO -0.40 -0.04 0.11 1.23 -1.14 0.00 0.00 176.83 176.59 3cma h GLY 95 N 0.23 0.46 0.54 -3.77 0.00 -1.63 0.49 103.07 99.39 3cma h GLY 95 Ca 0.35 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.60 3cma h GLY 95 CO -0.47 0.01 -0.41 -2.00 0.00 0.00 0.00 176.54 173.67 3cma h LEU 96 N 0.26 -1.09 -0.97 3.11 5.85 -0.50 -2.13 115.31 119.83 3cma h LEU 96 Ca 0.17 0.07 0.28 0.00 0.84 0.00 0.00 57.88 59.25 3cma h LEU 96 Cb 0.16 0.34 -0.18 0.00 0.37 0.00 0.00 40.66 41.36 3cma h LEU 96 CO -0.19 -0.59 0.11 0.00 -0.34 0.00 0.00 178.44 177.43 3cma h ALA 97 N -1.18 1.30 -0.40 1.25 0.00 -0.06 0.22 119.26 120.38 3cma h ALA 97 Ca -0.07 0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3cma h ALA 97 Cb 0.76 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 3cma h ALA 97 CO 0.02 -0.61 0.21 0.35 0.00 0.00 0.00 179.25 179.22 3cma h PHE 98 N 0.03 0.56 -0.35 0.00 3.57 -0.36 -2.50 116.94 117.90 3cma h PHE 98 Ca 0.62 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 62.01 3cma h PHE 98 Cb 1.34 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 3cma h PHE 98 CO -0.41 0.45 -0.17 0.00 -2.23 0.00 0.00 178.31 175.95 3cma h ALA 99 N 1.06 1.06 -0.01 2.41 0.00 0.01 -0.30 119.26 123.48 3cma h ALA 99 Ca 0.14 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3cma h ALA 99 Cb 0.08 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3cma h ALA 99 CO -0.02 0.57 0.00 -0.07 0.00 0.00 0.00 179.25 179.74 3cma h LEU 100 N 0.57 0.01 -0.54 0.00 3.38 -1.13 0.63 115.31 118.24 3cma h LEU 100 Ca 0.09 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3cma h LEU 100 Cb 0.62 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3cma h LEU 100 CO 0.04 0.17 0.25 -0.07 0.09 0.00 0.00 178.44 178.92 3cma h LEU 101 N -0.15 0.71 0.00 1.67 3.38 -1.36 -0.59 115.31 118.98 3cma h LEU 101 Ca 0.00 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3cma h LEU 101 Cb 0.16 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3cma h LEU 101 CO -0.00 0.65 0.00 -1.54 0.09 0.00 0.00 178.44 177.64 3cma n SER 102 N -4.56 0.00 -3.56 -0.43 3.41 -0.13 -4.00 113.62 104.34 3cma n SER 102 Ca 0.03 -1.08 -0.20 0.00 -0.26 0.00 0.00 58.87 57.35 3cma n SER 102 Cb 0.13 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.13 3cma n SER 102 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3cma n GLU 103 N -0.92 -4.42 -0.08 4.33 1.02 0.11 -4.93 120.64 115.74 3cma n GLU 103 Ca 0.19 0.70 -0.06 0.00 -0.02 0.00 0.00 57.16 57.97 3cma n GLU 103 Cb 0.09 -5.32 -0.15 0.00 -0.02 0.00 0.00 31.44 26.03 3cma n GLU 103 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3cma n GLU 104 N -4.05 0.80 -4.09 3.49 4.07 0.18 -5.00 120.64 116.04 3cma n GLU 104 Ca -0.24 -0.04 -0.13 0.00 -0.06 0.00 0.00 57.16 56.69 3cma n GLU 104 Cb 0.66 -1.50 -0.05 0.00 -0.06 0.00 0.00 31.44 30.49 3cma n GLU 104 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 3cma s THR 105 N -2.65 0.00 0.06 6.31 -1.32 -1.24 -5.05 115.64 111.74 3cma s THR 105 Ca -0.09 -1.62 0.04 0.00 -1.21 0.00 0.00 61.69 58.81 3cma s THR 105 Cb 0.07 -2.51 -0.03 0.00 -1.51 0.00 0.00 72.50 68.53 3cma s THR 105 CO 0.81 0.00 -0.13 0.42 -2.21 0.00 0.00 174.62 173.51 3cma s THR 106 N -3.46 1.00 0.26 5.08 -4.23 -1.26 -4.46 115.64 108.56 3cma s THR 106 Ca 0.30 -1.16 -0.08 0.00 -1.18 0.00 0.00 61.69 59.57 3cma s THR 106 Cb 0.01 -0.96 0.36 0.00 1.34 0.00 0.00 72.50 73.24 3cma s THR 106 CO 0.17 -0.19 1.60 -0.07 -0.54 0.00 0.00 174.62 175.58 3cma h LEU 107 N 4.53 -0.64 -0.58 4.79 3.38 -1.92 0.63 115.31 125.50 3cma h LEU 107 Ca -0.39 0.25 0.08 0.00 0.09 0.00 0.00 57.88 57.91 3cma h LEU 107 Cb 1.19 0.48 -0.06 0.00 0.09 0.00 0.00 40.66 42.36 3cma h LEU 107 CO 0.41 -0.27 0.23 -0.09 0.09 0.00 0.00 178.44 178.82 3cma h ARG 108 N 0.02 0.42 -0.30 1.13 2.43 -1.82 0.47 114.38 116.73 3cma h ARG 108 Ca 0.44 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.57 3cma h ARG 108 Cb 0.74 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 3cma h ARG 108 CO -0.84 0.28 0.13 0.93 -1.51 0.00 0.00 179.97 178.96 3cma h GLU 109 N 0.43 0.42 -0.76 0.20 5.08 -0.13 -1.84 114.58 117.97 3cma h GLU 109 Ca 0.28 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.55 3cma h GLU 109 Cb 0.31 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 3cma h GLU 109 CO -0.26 0.34 0.06 1.04 -1.00 0.00 0.00 179.01 179.19 3cma n GLN 110 N -4.42 3.33 -1.64 2.33 1.13 0.01 -4.89 117.38 113.23 3cma n GLN 110 Ca 0.01 -2.05 -0.12 0.00 -1.94 0.00 0.00 57.00 52.90 3cma n GLN 110 Cb 0.13 -1.97 -0.04 0.00 0.11 0.00 0.00 30.24 28.46 3cma n GLN 110 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3cma n GLY 111 N 0.28 0.87 3.67 1.08 0.00 -0.69 -4.60 105.19 105.81 3cma n GLY 111 Ca 0.21 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 3cma n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cma s LEU 112 N -3.08 3.39 0.11 0.99 1.43 0.14 -2.34 118.68 119.32 3cma s LEU 112 Ca 0.00 -0.25 -0.31 0.00 -1.03 0.00 0.00 54.13 52.54 3cma s LEU 112 Cb 0.00 -2.11 -0.09 0.00 0.03 0.00 0.00 46.19 44.02 3cma s LEU 112 CO 0.00 0.15 1.55 -0.55 0.23 0.00 0.00 176.35 177.73 3cma s SER 113 N -2.45 6.66 0.55 2.29 0.15 0.10 -2.69 113.70 118.30 3cma s SER 113 Ca 0.26 2.48 0.39 0.00 0.70 0.00 0.00 55.95 59.78 3cma s SER 113 Cb -0.11 -2.58 1.57 0.00 -1.71 0.00 0.00 66.02 63.19 3cma s SER 113 CO 0.18 -0.81 1.75 -0.65 1.20 0.00 0.00 173.24 174.91 3cma h PRO 114 N 7.38 0.00 -6.20 5.44 0.11 -1.90 -3.42 132.00 133.41 3cma h PRO 114 Ca -0.42 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.15 3cma h PRO 114 Cb 1.20 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.25 3cma h PRO 114 CO 0.91 0.00 -0.55 0.99 -0.21 0.00 0.00 178.00 179.14 3cma s THR 115 N -4.90 4.40 -0.33 -1.15 2.01 -1.26 -4.42 115.64 109.98 3cma s THR 115 Ca -0.05 -1.28 0.03 0.00 0.31 0.00 0.00 61.69 60.71 3cma s THR 115 Cb 0.23 -3.31 0.10 0.00 0.01 0.00 0.00 72.50 69.53 3cma s THR 115 CO 0.80 -0.23 0.05 -0.76 -0.69 0.00 0.00 174.62 173.79 3cma s LEU 116 N -3.46 4.44 -0.93 4.42 1.43 0.44 -4.69 118.68 120.33 3cma s LEU 116 Ca 0.32 -2.08 -0.24 0.00 -1.03 0.00 0.00 54.13 51.10 3cma s LEU 116 Cb -0.09 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 3cma s LEU 116 CO 0.24 -0.38 1.90 -0.13 0.23 0.00 0.00 176.35 178.21 3cma s ARG 117 N 0.99 2.65 1.02 1.70 0.52 -1.26 -1.65 118.95 122.92 3cma s ARG 117 Ca 0.10 -0.42 -0.15 0.00 -0.52 0.00 0.00 55.73 54.75 3cma s ARG 117 Cb -0.19 -5.10 0.20 0.00 0.52 0.00 0.00 34.95 30.38 3cma s ARG 117 CO -0.10 -3.30 1.14 -0.51 0.02 0.00 0.00 175.30 172.56 3cma s LEU 118 N 9.64 1.63 0.15 2.53 1.43 -1.08 -4.95 118.68 128.03 3cma s LEU 118 Ca 0.68 0.83 0.06 0.00 -1.03 0.00 0.00 54.13 54.66 3cma s LEU 118 Cb -0.06 -2.91 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 3cma s LEU 118 CO -0.01 -3.16 0.05 -2.28 0.23 0.00 0.00 176.35 171.18 3cma s HIS 119 N -3.21 2.99 0.34 0.29 5.65 -0.93 -4.85 115.29 115.57 3cma s HIS 119 Ca 0.67 -0.07 -0.25 0.00 0.25 0.00 0.00 55.06 55.66 3cma s HIS 119 Cb -0.13 -1.46 -0.14 0.00 -1.18 0.00 0.00 32.58 29.67 3cma s HIS 119 CO 0.55 0.51 0.74 -2.30 -0.65 0.00 0.00 174.74 173.59 3cma n PRO 120 N -0.04 0.82 -1.66 2.88 -0.02 -1.26 -4.26 135.00 131.46 3cma n PRO 120 Ca -0.09 0.29 -0.43 0.00 -2.02 0.00 0.00 63.50 61.25 3cma n PRO 120 Cb 0.54 -1.59 -0.03 0.00 -0.02 0.00 0.00 33.50 32.40 3cma n PRO 120 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3cma s PRO 121 N -1.52 3.08 0.09 0.52 0.04 -1.26 -4.53 135.00 131.43 3cma s PRO 121 Ca 0.62 1.89 -0.32 0.00 0.04 0.00 0.00 61.00 63.23 3cma s PRO 121 Cb -0.68 -4.36 -0.11 0.00 0.04 0.00 0.00 34.50 29.38 3cma s PRO 121 CO 0.58 -2.16 1.84 0.54 0.04 0.00 0.00 177.00 177.84 3cma n ARG 122 N 8.74 2.67 -0.69 4.56 1.74 -0.40 0.92 116.66 134.21 3cma n ARG 122 Ca 0.29 0.97 0.00 0.00 -0.77 0.00 0.00 57.85 58.34 3cma n ARG 122 Cb 0.46 -2.86 0.00 0.00 -1.02 0.00 0.00 32.46 29.04 3cma n ARG 122 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cma n GLY 123 N 4.21 0.80 0.46 -0.13 0.00 -1.26 -4.89 105.19 104.38 3cma n GLY 123 Ca 0.19 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.26 3cma n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cma n GLY 124 N -2.14 -2.70 3.03 -0.02 0.00 0.26 -5.02 105.19 98.60 3cma n GLY 124 Ca 0.00 -1.33 -0.15 0.00 0.00 0.00 0.00 46.02 44.53 3cma n GLY 124 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3cma n HIS 125 N -2.83 -2.54 -0.56 1.61 1.44 -1.26 -4.92 115.22 106.16 3cma n HIS 125 Ca -0.03 -1.60 -0.14 0.00 -2.01 0.00 0.00 57.72 53.95 3cma n HIS 125 Cb 0.22 -0.45 0.05 0.00 0.12 0.00 0.00 29.99 29.93 3cma n HIS 125 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3cma n ASP 126 N -2.55 5.34 -0.28 4.39 8.00 -1.26 -4.98 116.55 125.21 3cma n ASP 126 Ca 0.13 -2.91 0.00 0.00 0.71 0.00 0.00 54.79 52.72 3cma n ASP 126 Cb 0.46 -0.92 0.00 0.00 -0.02 0.00 0.00 41.12 40.64 3cma n ASP 126 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3cma n GLY 127 N 0.21 -3.14 1.48 0.44 0.00 -1.26 -2.92 105.19 100.00 3cma n GLY 127 Ca 0.27 -1.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 3cma n GLY 127 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3cma n VAL 128 N -1.37 2.74 0.00 1.61 0.24 -1.26 -1.37 118.33 118.93 3cma n VAL 128 Ca 0.00 -2.48 0.00 0.00 -2.04 0.00 0.00 64.34 59.82 3cma n VAL 128 Cb 0.05 -0.36 0.00 0.00 -1.47 0.00 0.00 33.84 32.05 3cma n VAL 128 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3cma n LYS 129 N -1.10 0.09 -3.86 7.34 5.02 -1.26 -5.00 118.16 119.40 3cma n LYS 129 Ca 0.41 -0.78 -0.11 0.00 -2.02 0.00 0.00 58.31 55.81 3cma n LYS 129 Cb 1.22 -1.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.14 3cma n LYS 129 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3cma s HIS 130 N -0.28 0.04 0.59 2.13 3.76 -1.26 -5.05 115.29 115.22 3cma s HIS 130 Ca 0.00 -0.17 -0.07 0.00 -0.15 0.00 0.00 55.06 54.68 3cma s HIS 130 Cb 0.00 -0.04 0.00 0.00 1.11 0.00 0.00 32.58 33.65 3cma s HIS 130 CO 0.00 -0.34 0.92 -1.25 -0.85 0.00 0.00 174.74 173.22 3cma s PRO 131 N -1.77 3.01 0.18 8.40 0.04 -1.26 -1.56 135.00 142.03 3cma s PRO 131 Ca -0.12 0.11 -0.24 0.00 0.04 0.00 0.00 61.00 60.79 3cma s PRO 131 Cb -0.05 -2.24 0.06 0.00 0.04 0.00 0.00 34.50 32.31 3cma s PRO 131 CO 0.00 -0.68 1.57 0.28 0.04 0.00 0.00 177.00 178.21 3cma h VAL 132 N -0.20 0.08 -0.15 -0.36 2.07 -1.44 0.70 116.25 116.96 3cma h VAL 132 Ca -0.45 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.11 3cma h VAL 132 Cb 1.25 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 3cma h VAL 132 CO 0.61 0.00 0.13 0.11 0.02 0.00 0.00 177.57 178.44 3cma h LYS 133 N -0.18 0.00 -0.50 1.57 1.57 -1.87 -0.30 116.57 116.85 3cma h LYS 133 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3cma h LYS 133 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 3cma h LYS 133 CO -0.73 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 178.54 3cma n GLU 134 N -4.14 2.26 -0.24 3.15 1.02 0.19 -4.89 120.64 117.99 3cma n GLU 134 Ca 0.01 -1.95 0.00 0.00 -0.02 0.00 0.00 57.16 55.20 3cma n GLU 134 Cb 0.26 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 3cma n GLU 134 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cma n GLY 135 N 1.38 0.63 0.00 0.62 0.00 -0.12 -4.83 105.19 102.86 3cma n GLY 135 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3cma n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cma n GLY 136 N -2.00 -0.23 0.00 -0.02 0.00 0.22 -4.77 105.19 98.39 3cma n GLY 136 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.26 3cma n GLY 136 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3cma n GLN 137 N -0.51 0.57 -3.26 1.61 -0.06 -0.47 -3.69 117.38 111.57 3cma n GLN 137 Ca 0.00 -0.78 -0.31 0.00 -2.00 0.00 0.00 57.00 53.91 3cma n GLN 137 Cb 0.00 -0.89 -0.05 0.00 -4.06 0.00 0.00 30.24 25.24 3cma n GLN 137 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 3cma s LEU 138 N -0.34 4.08 0.00 1.69 1.43 -1.01 -4.62 118.68 119.90 3cma s LEU 138 Ca 0.00 1.01 0.00 0.00 -1.03 0.00 0.00 54.13 54.11 3cma s LEU 138 Cb 0.00 -3.81 0.00 0.00 0.03 0.00 0.00 46.19 42.41 3cma s LEU 138 CO 0.00 -0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.02 3cma n GLY 139 N -0.47 -1.75 3.77 -3.19 0.00 -0.55 -1.83 105.19 101.18 3cma n GLY 139 Ca 0.01 -1.69 -0.38 0.00 0.00 0.00 0.00 46.02 43.96 3cma n GLY 139 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cma s LYS 140 N 0.00 4.01 0.17 1.61 2.20 -1.26 -1.53 119.74 124.94 3cma s LYS 140 Ca 0.00 1.90 0.07 0.00 -0.36 0.00 0.00 55.97 57.58 3cma s LYS 140 Cb 0.00 -2.67 -0.04 0.00 -1.51 0.00 0.00 37.83 33.61 3cma s LYS 140 CO 0.00 -0.38 -0.15 -1.01 -0.36 0.00 0.00 175.35 173.45 3cma s HIS 141 N -1.39 1.64 0.81 4.03 3.76 0.36 -4.77 115.29 119.73 3cma s HIS 141 Ca 0.58 -0.56 -0.11 0.00 -0.15 0.00 0.00 55.06 54.82 3cma s HIS 141 Cb -0.32 -0.80 0.08 0.00 1.11 0.00 0.00 32.58 32.65 3cma s HIS 141 CO 0.40 0.29 1.11 0.34 -0.85 0.00 0.00 174.74 176.03 3cma s ASP 142 N -2.98 4.05 0.17 1.40 -1.08 -1.26 -4.40 116.67 112.57 3cma s ASP 142 Ca 0.18 1.96 -0.11 0.00 -0.52 0.00 0.00 52.55 54.05 3cma s ASP 142 Cb -0.02 -2.54 0.07 0.00 -1.46 0.00 0.00 42.92 38.96 3cma s ASP 142 CO 0.05 -2.35 1.69 0.74 0.52 0.00 0.00 175.17 175.83 3cma h THR 143 N -1.26 1.25 -0.66 1.71 2.02 -1.98 0.30 112.91 114.27 3cma h THR 143 Ca -0.44 -0.86 -0.08 0.00 0.77 0.00 0.00 66.41 65.80 3cma h THR 143 Cb 1.25 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 68.31 3cma h THR 143 CO 0.48 0.32 0.08 -0.08 0.37 0.00 0.00 175.52 176.70 3cma h GLU 144 N 0.84 1.11 -0.30 6.66 4.81 -1.91 -1.66 114.58 124.13 3cma h GLU 144 Ca 0.19 -0.31 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 3cma h GLU 144 Cb 0.32 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3cma h GLU 144 CO -0.00 1.03 0.12 0.78 -0.73 0.00 0.00 179.01 180.21 3cma h GLY 145 N 1.03 0.49 1.64 1.92 0.00 -1.76 -0.60 103.07 105.79 3cma h GLY 145 Ca 0.20 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 3cma h GLY 145 CO 0.02 0.25 0.09 -2.22 0.00 0.00 0.00 176.54 174.68 3cma h ILE 146 N 0.34 1.15 -0.31 2.60 1.08 -0.29 -1.82 117.51 120.26 3cma h ILE 146 Ca 0.10 -0.50 -0.17 0.00 -0.39 0.00 0.00 64.86 63.90 3cma h ILE 146 Cb 0.18 0.80 -0.00 0.00 -3.07 0.00 0.00 36.82 34.73 3cma h ILE 146 CO -0.01 0.18 -0.48 0.44 -0.69 0.00 0.00 178.15 177.59 3cma h ASP 147 N 0.46 0.96 -0.08 1.72 3.32 -0.96 -1.55 116.42 120.29 3cma h ASP 147 Ca 0.11 -0.51 0.04 0.00 0.02 0.00 0.00 57.03 56.69 3cma h ASP 147 Cb 0.16 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.38 3cma h ASP 147 CO -0.01 1.29 -0.22 0.44 -1.72 0.00 0.00 179.24 179.02 3cma h ASP 148 N 0.67 -0.68 0.51 6.45 3.32 -0.30 0.25 116.42 126.65 3cma h ASP 148 Ca 0.03 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 3cma h ASP 148 Cb 1.09 0.30 0.00 0.00 0.22 0.00 0.00 39.33 40.93 3cma h ASP 148 CO 0.11 -0.28 -0.28 0.25 -1.72 0.00 0.00 179.24 177.32 3cma h LEU 149 N -0.31 -0.68 -0.86 1.55 5.85 -1.38 -1.71 115.31 117.78 3cma h LEU 149 Ca 0.09 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.86 3cma h LEU 149 Cb 0.43 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 3cma h LEU 149 CO -0.26 -0.45 0.56 -0.07 -0.34 0.00 0.00 178.44 177.87 3cma h LEU 150 N -0.73 0.94 -1.63 2.25 3.38 -1.08 -0.41 115.31 118.03 3cma h LEU 150 Ca -0.06 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3cma h LEU 150 Cb 0.58 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3cma h LEU 150 CO 0.09 0.65 -0.20 -0.33 0.09 0.00 0.00 178.44 178.74 3cma h GLU 151 N 1.10 0.00 0.00 1.13 5.08 -0.39 -1.32 114.58 120.19 3cma h GLU 151 Ca 0.33 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.65 3cma h GLU 151 Cb -0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3cma h GLU 151 CO -0.10 0.20 -0.33 0.00 -1.00 0.00 0.00 179.01 177.78 3cma h ALA 152 N 1.80 0.82 -0.55 3.43 0.00 -0.28 -2.95 119.26 121.54 3cma h ALA 152 Ca -0.00 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 3cma h ALA 152 Cb 0.37 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 3cma h ALA 152 CO 0.03 0.28 0.08 -1.33 0.00 0.00 0.00 179.25 178.31 3cma n MET 153 N -3.11 3.99 0.00 0.00 2.81 -0.28 -1.27 117.12 119.27 3cma n MET 153 Ca 0.02 -3.08 0.00 0.00 -1.81 0.00 0.00 57.70 52.83 3cma n MET 153 Cb 0.62 -2.15 0.00 0.00 -0.71 0.00 0.00 33.22 30.98 3cma n MET 153 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35