#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cma n HIS 11 N 0.00 0.18 -0.23 2.97 1.44 -1.26 -4.23 115.22 114.09 3cma n HIS 11 Ca 0.00 0.04 0.04 0.00 -2.01 0.00 0.00 57.72 55.79 3cma n HIS 11 Cb 0.00 -1.02 0.16 0.00 0.12 0.00 0.00 29.99 29.25 3cma n HIS 11 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 3cma h GLU 12 N -0.12 0.31 -1.05 -1.40 4.81 -2.05 0.28 114.58 115.37 3cma h GLU 12 Ca -0.57 -0.02 -0.35 0.00 -0.13 0.00 0.00 59.36 58.29 3cma h GLU 12 Cb 1.88 -0.07 -0.20 0.00 0.63 0.00 0.00 28.75 30.99 3cma h GLU 12 CO -0.11 0.20 0.44 -1.33 -0.73 0.00 0.00 179.01 177.49 3cma n MET 13 N -5.10 1.84 0.00 1.92 2.81 -1.26 -3.77 117.12 113.56 3cma n MET 13 Ca 0.12 -1.96 0.00 0.00 -1.81 0.00 0.00 57.70 54.05 3cma n MET 13 Cb 0.40 -1.77 0.00 0.00 -0.71 0.00 0.00 33.22 31.14 3cma n MET 13 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3cma n ARG 14 N -0.49 4.03 -2.20 0.03 5.12 0.71 -4.61 116.66 119.25 3cma n ARG 14 Ca 0.39 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.88 3cma n ARG 14 Cb 1.17 -0.53 -0.03 0.00 -1.16 0.00 0.00 32.46 31.91 3cma n ARG 14 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 3cma s GLU 15 N -0.39 4.25 0.90 5.56 -1.05 0.39 -4.80 118.70 123.55 3cma s GLU 15 Ca 0.00 1.97 -0.16 0.00 -0.15 0.00 0.00 54.97 56.63 3cma s GLU 15 Cb 0.00 -3.71 -0.02 0.00 -0.44 0.00 0.00 34.13 29.96 3cma s GLU 15 CO 0.00 -0.67 -0.49 -2.30 0.95 0.00 0.00 175.26 172.74 3cma n PRO 16 N 6.05 -0.79 -3.60 -4.83 -0.02 -1.26 -4.48 135.00 126.07 3cma n PRO 16 Ca 0.14 -0.23 -0.02 0.00 -2.02 0.00 0.00 63.50 61.37 3cma n PRO 16 Cb 0.44 -1.22 0.02 0.00 -0.02 0.00 0.00 33.50 32.71 3cma n PRO 16 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3cma n ARG 17 N 0.64 0.56 -3.87 -0.52 1.85 -0.63 -4.91 116.66 109.78 3cma n ARG 17 Ca 0.01 -1.28 -0.35 0.00 -1.00 0.00 0.00 57.85 55.22 3cma n ARG 17 Cb 0.46 1.75 -0.14 0.00 -1.05 0.00 0.00 32.46 33.48 3cma n ARG 17 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 3cma s ILE 18 N -2.11 3.60 -0.10 8.89 1.01 -1.26 -2.00 121.20 129.22 3cma s ILE 18 Ca 0.21 -0.43 -0.26 0.00 0.00 0.00 0.00 60.65 60.17 3cma s ILE 18 Cb -0.02 -2.66 -0.28 0.00 0.01 0.00 0.00 42.46 39.50 3cma s ILE 18 CO 0.05 0.39 0.81 -0.08 0.00 0.00 0.00 174.94 176.10 3cma h GLU 19 N 8.14 0.13 -2.24 2.79 4.81 -0.48 -3.42 114.58 124.31 3cma h GLU 19 Ca -0.40 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 58.57 3cma h GLU 19 Cb 1.16 0.08 -0.17 0.00 0.63 0.00 0.00 28.75 30.45 3cma h GLU 19 CO 0.60 1.11 0.24 -1.59 -0.73 0.00 0.00 179.01 178.64 3cma s LYS 20 N -2.32 1.06 -0.18 1.92 -2.85 -1.16 -4.47 119.74 111.75 3cma s LYS 20 Ca -0.17 0.02 0.01 0.00 -1.00 0.00 0.00 55.97 54.83 3cma s LYS 20 Cb -0.01 0.50 0.03 0.00 -2.06 0.00 0.00 37.83 36.29 3cma s LYS 20 CO 0.75 -0.38 -0.14 0.08 0.10 0.00 0.00 175.35 175.76 3cma s VAL 21 N -1.98 1.70 -0.33 1.79 1.01 -0.37 -0.02 120.40 122.21 3cma s VAL 21 Ca -0.06 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.03 3cma s VAL 21 Cb -0.00 -1.66 0.06 0.00 0.00 0.00 0.00 36.38 34.78 3cma s VAL 21 CO 0.02 0.35 0.08 -0.69 0.00 0.00 0.00 175.10 174.86 3cma s VAL 22 N 1.41 3.32 -0.05 2.92 1.01 -0.23 -0.31 120.40 128.47 3cma s VAL 22 Ca 0.02 -1.43 -0.15 0.00 0.00 0.00 0.00 61.98 60.43 3cma s VAL 22 Cb -0.14 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 3cma s VAL 22 CO -0.10 -0.25 0.40 0.68 0.00 0.00 0.00 175.10 175.83 3cma s VAL 23 N 1.28 5.11 0.01 2.92 -7.23 -0.66 -2.14 120.40 119.69 3cma s VAL 23 Ca -0.01 0.81 -0.26 0.00 -1.81 0.00 0.00 61.98 60.70 3cma s VAL 23 Cb -0.20 -3.71 0.06 0.00 0.56 0.00 0.00 36.38 33.08 3cma s VAL 23 CO -0.00 0.50 0.58 -2.28 -0.31 0.00 0.00 175.10 173.59 3cma s HIS 24 N -0.53 -0.52 -0.28 2.82 5.04 -0.92 0.19 115.29 121.09 3cma s HIS 24 Ca 0.23 0.74 0.02 0.00 -1.54 0.00 0.00 55.06 54.51 3cma s HIS 24 Cb -0.16 0.37 0.08 0.00 0.04 0.00 0.00 32.58 32.91 3cma s HIS 24 CO 0.11 -0.62 -0.01 -1.64 -2.34 0.00 0.00 174.74 170.24 3cma s MET 25 N -1.86 1.57 -1.32 2.88 -1.94 -0.72 -1.08 119.30 116.84 3cma s MET 25 Ca -0.08 -1.34 -0.16 0.00 -1.71 0.00 0.00 55.69 52.39 3cma s MET 25 Cb -0.01 -2.75 0.08 0.00 2.01 0.00 0.00 34.83 34.16 3cma s MET 25 CO 0.03 -0.75 1.81 0.41 -0.01 0.00 0.00 175.02 176.51 3cma n GLY 26 N 4.52 3.22 0.00 -0.03 0.00 -1.26 -3.18 105.19 108.46 3cma n GLY 26 Ca -0.06 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.35 3cma n GLY 26 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3cma n ILE 27 N 5.68 0.00 0.00 -0.61 5.41 -0.19 -4.95 119.36 124.69 3cma n ILE 27 Ca 0.47 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.22 3cma n ILE 27 Cb 0.43 -0.74 0.00 0.00 -0.71 0.00 0.00 39.64 38.63 3cma n ILE 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3cma n GLY 28 N 0.77 0.00 0.00 7.39 0.00 0.07 -4.95 105.19 108.47 3cma n GLY 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3cma n GLY 28 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3cma n HIS 29 N 0.00 0.00 0.00 1.61 -0.00 -1.23 -4.88 115.22 110.71 3cma n HIS 29 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3cma n HIS 29 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 3cma n HIS 29 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3cma n ALA 35 N 0.00 0.00 0.28 1.59 0.00 -1.26 -4.78 120.51 116.33 3cma n ALA 35 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.63 3cma n ALA 35 Cb 0.00 0.00 1.00 0.00 0.00 0.00 0.00 19.45 20.45 3cma n ALA 35 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 3cma h ASN 36 N 0.00 0.00 1.10 0.00 -1.07 -2.01 -2.20 115.58 111.39 3cma h ASN 36 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.36 3cma h ASN 36 Cb 0.00 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.25 3cma h ASN 36 CO 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 177.43 177.44 3cma h ALA 37 N 2.00 1.00 -0.69 4.14 0.00 -2.00 -3.30 119.26 120.41 3cma h ALA 37 Ca 0.00 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.00 3cma h ALA 37 Cb 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.69 3cma h ALA 37 CO 0.00 0.07 0.17 0.93 0.00 0.00 0.00 179.25 180.42 3cma h GLU 38 N 0.00 0.28 -0.83 0.00 5.08 -1.81 -2.93 114.58 114.37 3cma h GLU 38 Ca -0.00 -0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.51 3cma h GLU 38 Cb 0.62 -0.06 -0.16 0.00 0.50 0.00 0.00 28.75 29.65 3cma h GLU 38 CO 0.01 0.18 -0.23 -0.44 -1.00 0.00 0.00 179.01 177.53 3cma h ASP 39 N 0.29 -0.85 -0.20 1.42 3.32 -1.81 -2.21 116.42 116.37 3cma h ASP 39 Ca 0.38 0.25 -0.17 0.00 0.02 0.00 0.00 57.03 57.52 3cma h ASP 39 Cb 0.61 0.54 0.00 0.00 0.22 0.00 0.00 39.33 40.71 3cma h ASP 39 CO -0.46 -0.28 -0.52 0.16 -1.72 0.00 0.00 179.24 176.41 3cma h ILE 40 N -0.01 1.31 -0.37 0.35 3.07 -1.79 -3.18 117.51 116.89 3cma h ILE 40 Ca 0.39 -1.75 0.06 0.00 1.55 0.00 0.00 64.86 65.11 3cma h ILE 40 Cb 0.61 1.86 -0.02 0.00 -0.27 0.00 0.00 36.82 39.00 3cma h ILE 40 CO -0.86 0.55 0.25 -0.07 -1.05 0.00 0.00 178.15 176.97 3cma h LEU 41 N 0.43 0.22 -1.15 0.16 3.38 -1.44 0.42 115.31 117.33 3cma h LEU 41 Ca -0.01 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3cma h LEU 41 Cb 1.14 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 3cma h LEU 41 CO 0.11 0.15 -0.08 1.23 0.09 0.00 0.00 178.44 179.94 3cma h GLY 42 N 0.26 0.00 0.50 0.83 0.00 -1.40 -2.17 103.07 101.09 3cma h GLY 42 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.12 3cma h GLY 42 CO -0.03 0.00 -2.08 1.18 0.00 0.00 0.00 176.54 175.61 3cma n GLU 43 N -3.19 0.73 0.04 4.80 1.02 -0.06 -2.73 120.64 121.24 3cma n GLU 43 Ca 0.01 0.24 0.13 0.00 -0.02 0.00 0.00 57.16 57.51 3cma n GLU 43 Cb 0.38 -1.67 0.51 0.00 -0.02 0.00 0.00 31.44 30.64 3cma n GLU 43 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 3cma n ILE 44 N -3.40 0.36 -0.03 -3.67 3.06 -0.06 -4.28 119.36 111.34 3cma n ILE 44 Ca -0.34 -0.03 -0.07 0.00 -2.50 0.00 0.00 62.75 59.81 3cma n ILE 44 Cb 1.04 -0.64 -0.02 0.00 0.54 0.00 0.00 39.64 40.56 3cma n ILE 44 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 3cma n THR 45 N -1.77 1.20 0.00 9.51 -2.24 -0.82 -4.95 114.28 115.22 3cma n THR 45 Ca 0.06 0.16 0.00 0.00 -2.27 0.00 0.00 64.05 62.00 3cma n THR 45 Cb 0.34 -1.88 0.00 0.00 -2.10 0.00 0.00 70.33 66.68 3cma n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cma n GLY 46 N 2.44 1.16 3.28 3.38 0.00 -1.11 -4.88 105.19 109.47 3cma n GLY 46 Ca -0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 3cma n GLY 46 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3cma s GLN 47 N 0.00 1.46 0.41 1.61 -2.07 -1.25 -5.01 119.66 114.80 3cma s GLN 47 Ca 0.00 -1.81 -0.26 0.00 -1.82 0.00 0.00 55.36 51.47 3cma s GLN 47 Cb 0.00 0.04 -0.09 0.00 -1.09 0.00 0.00 33.01 31.87 3cma s GLN 47 CO 0.00 -0.43 1.35 -1.64 -1.32 0.00 0.00 175.29 173.25 3cma s MET 48 N -3.92 3.93 0.48 9.60 -1.94 -1.26 -4.41 119.30 121.79 3cma s MET 48 Ca 0.38 2.25 0.02 0.00 -1.71 0.00 0.00 55.69 56.64 3cma s MET 48 Cb 0.06 -2.77 0.02 0.00 2.01 0.00 0.00 34.83 34.15 3cma s MET 48 CO 0.16 -0.56 0.69 -1.25 -0.01 0.00 0.00 175.02 174.05 3cma s PRO 49 N -2.26 2.78 0.14 2.03 0.04 -1.26 -4.81 135.00 131.66 3cma s PRO 49 Ca 0.57 -0.78 0.10 0.00 0.04 0.00 0.00 61.00 60.93 3cma s PRO 49 Cb -0.40 -2.58 -0.04 0.00 0.04 0.00 0.00 34.50 31.52 3cma s PRO 49 CO 0.52 -0.46 -0.25 0.08 0.04 0.00 0.00 177.00 176.93 3cma s VAL 50 N -2.59 2.15 0.97 -0.36 1.01 -0.18 -4.90 120.40 116.49 3cma s VAL 50 Ca 0.53 -1.77 -0.13 0.00 0.00 0.00 0.00 61.98 60.62 3cma s VAL 50 Cb -0.10 -1.93 0.17 0.00 0.00 0.00 0.00 36.38 34.52 3cma s VAL 50 CO 0.37 0.01 1.12 -0.13 0.00 0.00 0.00 175.10 176.47 3cma s ARG 51 N -2.16 0.65 -0.02 2.72 1.81 -1.26 -1.83 118.95 118.86 3cma s ARG 51 Ca 0.14 0.32 0.01 0.00 -1.72 0.00 0.00 55.73 54.47 3cma s ARG 51 Cb -0.09 -1.78 0.02 0.00 -0.45 0.00 0.00 34.95 32.64 3cma s ARG 51 CO 0.06 -2.54 -0.03 0.99 -0.68 0.00 0.00 175.30 173.11 3cma s THR 52 N -3.16 0.32 0.00 0.02 2.01 0.13 -4.75 115.64 110.21 3cma s THR 52 Ca 0.65 -0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.59 3cma s THR 52 Cb -0.16 -0.35 0.00 0.00 0.01 0.00 0.00 72.50 72.00 3cma s THR 52 CO 0.55 0.15 0.00 0.29 -0.69 0.00 0.00 174.62 174.92 3cma n LYS 53 N 3.71 0.76 0.00 4.92 5.02 -1.26 -0.02 118.16 131.29 3cma n LYS 53 Ca -0.22 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.07 3cma n LYS 53 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 3cma n LYS 53 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cma n ALA 54 N -3.00 0.00 -2.40 7.82 0.00 -1.17 -4.50 120.51 117.26 3cma n ALA 54 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 3cma n ALA 54 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 3cma n ALA 54 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3cma s LYS 55 N -2.00 1.13 0.20 0.00 1.02 -1.26 -4.08 119.74 114.75 3cma s LYS 55 Ca 0.00 -1.39 0.00 0.00 0.02 0.00 0.00 55.97 54.60 3cma s LYS 55 Cb 0.00 -0.94 0.00 0.00 -0.52 0.00 0.00 37.83 36.37 3cma s LYS 55 CO 0.00 0.16 0.00 0.54 -0.92 0.00 0.00 175.35 175.13 3cma n ARG 56 N 0.11 -3.21 -2.12 1.68 1.74 -1.26 -4.94 116.66 108.67 3cma n ARG 56 Ca -0.12 2.36 -0.36 0.00 -0.77 0.00 0.00 57.85 58.95 3cma n ARG 56 Cb 0.59 -2.51 0.01 0.00 -1.02 0.00 0.00 32.46 29.53 3cma n ARG 56 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3cma s THR 57 N -1.21 2.83 -0.04 0.55 2.01 -1.26 -4.88 115.64 113.62 3cma s THR 57 Ca 0.00 0.57 0.02 0.00 0.31 0.00 0.00 61.69 62.59 3cma s THR 57 Cb 0.00 -3.26 0.01 0.00 0.01 0.00 0.00 72.50 69.26 3cma s THR 57 CO 0.00 -0.06 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.10 3cma s VAL 58 N -1.57 0.79 0.36 3.82 1.01 0.81 -4.94 120.40 120.68 3cma s VAL 58 Ca 0.71 -0.31 0.13 0.00 0.00 0.00 0.00 61.98 62.51 3cma s VAL 58 Cb -0.30 -0.74 0.35 0.00 0.00 0.00 0.00 36.38 35.69 3cma s VAL 58 CO 0.34 0.27 1.77 1.23 0.00 0.00 0.00 175.10 178.71 3cma h GLY 59 N 6.82 1.52 -6.87 4.51 0.00 -1.97 -1.92 103.07 105.17 3cma h GLY 59 Ca -0.34 -0.27 -0.51 0.00 0.00 0.00 0.00 47.33 46.21 3cma h GLY 59 CO 0.48 -0.14 1.55 -1.84 0.00 0.00 0.00 176.54 176.59 3cma n GLU 60 N -4.72 0.90 -3.48 4.80 0.28 -1.26 -4.42 120.64 112.73 3cma n GLU 60 Ca 0.25 -1.67 -0.01 0.00 -0.16 0.00 0.00 57.16 55.57 3cma n GLU 60 Cb 0.76 -3.04 -0.00 0.00 1.43 0.00 0.00 31.44 30.59 3cma n GLU 60 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 3cma n PHE 61 N 10.51 -0.02 -3.09 -1.84 -0.00 -1.22 -4.76 117.46 117.04 3cma n PHE 61 Ca 0.47 0.00 -0.16 0.00 -0.00 0.00 0.00 57.45 57.76 3cma n PHE 61 Cb 0.43 -0.05 -0.01 0.00 -0.00 0.00 0.00 39.48 39.85 3cma n PHE 61 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3cma n ASP 62 N 0.74 0.09 0.06 -2.13 2.03 -0.72 -4.93 116.55 111.69 3cma n ASP 62 Ca -0.00 -3.13 -0.19 0.00 0.52 0.00 0.00 54.79 51.99 3cma n ASP 62 Cb 0.01 -0.07 -0.14 0.00 -0.72 0.00 0.00 41.12 40.19 3cma n ASP 62 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 3cma h ILE 63 N 1.50 1.05 -1.81 5.18 3.07 -1.86 0.23 117.51 124.87 3cma h ILE 63 Ca 0.05 -2.67 -0.61 0.00 1.55 0.00 0.00 64.86 63.19 3cma h ILE 63 Cb 0.99 2.75 -0.00 0.00 -0.27 0.00 0.00 36.82 40.29 3cma h ILE 63 CO 0.42 0.83 1.41 -1.14 -1.05 0.00 0.00 178.15 178.62 3cma n ARG 64 N -3.50 1.86 0.09 0.16 0.63 -1.26 -4.47 116.66 110.18 3cma n ARG 64 Ca -0.20 0.55 -0.04 0.00 -0.92 0.00 0.00 57.85 57.24 3cma n ARG 64 Cb 1.06 -2.98 -0.02 0.00 0.45 0.00 0.00 32.46 30.97 3cma n ARG 64 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 3cma h GLU 65 N 13.46 -0.23 -5.99 -0.14 4.81 -1.87 -3.40 114.58 121.21 3cma h GLU 65 Ca -0.39 0.02 -0.60 0.00 -0.13 0.00 0.00 59.36 58.25 3cma h GLU 65 Cb 1.26 0.05 -0.11 0.00 0.63 0.00 0.00 28.75 30.58 3cma h GLU 65 CO 0.97 -0.15 0.61 0.20 -0.73 0.00 0.00 179.01 179.91 3cma s GLY 66 N -1.53 1.40 -0.30 1.92 0.00 -1.26 -3.05 107.32 104.50 3cma s GLY 66 Ca -0.03 -1.11 -0.25 0.00 0.00 0.00 0.00 44.72 43.32 3cma s GLY 66 CO 0.10 2.09 1.48 0.51 0.00 0.00 0.00 173.10 177.28 3cma s ASP 67 N 2.73 -0.01 0.09 1.64 -4.77 -1.26 -5.01 116.67 110.08 3cma s ASP 67 Ca 0.33 0.03 -0.36 0.00 -3.30 0.00 0.00 52.55 49.25 3cma s ASP 67 Cb -0.12 0.03 -0.18 0.00 -1.09 0.00 0.00 42.92 41.56 3cma s ASP 67 CO 0.21 -0.01 1.09 -2.65 0.70 0.00 0.00 175.17 174.52 3cma n PRO 68 N 1.43 0.58 0.00 2.11 -0.02 -1.23 -4.28 135.00 133.60 3cma n PRO 68 Ca -0.09 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 3cma n PRO 68 Cb 0.57 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 3cma n PRO 68 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3cma n ILE 69 N 1.57 0.00 -3.88 4.25 5.41 0.97 -3.58 119.36 124.10 3cma n ILE 69 Ca 0.18 -0.01 0.01 0.00 1.00 0.00 0.00 62.75 63.93 3cma n ILE 69 Cb 0.17 0.37 0.01 0.00 -0.71 0.00 0.00 39.64 39.48 3cma n ILE 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3cma n GLY 70 N 0.14 0.52 3.24 7.39 0.00 -1.24 -0.75 105.19 114.49 3cma n GLY 70 Ca 0.00 -0.95 -0.11 0.00 0.00 0.00 0.00 46.02 44.96 3cma n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cma s ALA 71 N -1.49 -0.56 0.16 4.61 0.00 -1.19 0.19 121.76 123.47 3cma s ALA 71 Ca 0.14 -0.18 -0.03 0.00 0.00 0.00 0.00 51.96 51.88 3cma s ALA 71 Cb -0.01 0.39 -0.03 0.00 0.00 0.00 0.00 23.12 23.48 3cma s ALA 71 CO 0.00 -0.45 0.15 -1.59 0.00 0.00 0.00 175.76 173.86 3cma s LYS 72 N -2.99 1.07 -0.16 0.00 -2.85 -0.76 -1.75 119.74 112.30 3cma s LYS 72 Ca -0.02 -1.42 -0.04 0.00 -1.00 0.00 0.00 55.97 53.50 3cma s LYS 72 Cb 0.01 0.29 0.07 0.00 -2.06 0.00 0.00 37.83 36.14 3cma s LYS 72 CO -0.06 -0.35 0.17 0.08 0.10 0.00 0.00 175.35 175.29 3cma s VAL 73 N -4.06 -0.25 -0.50 1.79 1.01 0.13 -1.01 120.40 117.51 3cma s VAL 73 Ca 0.26 0.03 -0.20 0.00 0.00 0.00 0.00 61.98 62.07 3cma s VAL 73 Cb 0.06 -0.53 0.05 0.00 0.00 0.00 0.00 36.38 35.96 3cma s VAL 73 CO 0.04 -0.11 0.66 0.42 0.00 0.00 0.00 175.10 176.12 3cma s THR 74 N 2.27 4.81 -0.06 3.92 -4.23 -1.26 -1.66 115.64 119.44 3cma s THR 74 Ca 0.05 -0.31 -0.15 0.00 -1.18 0.00 0.00 61.69 60.10 3cma s THR 74 Cb -0.15 -4.31 -0.05 0.00 1.34 0.00 0.00 72.50 69.34 3cma s THR 74 CO -0.09 -0.80 0.40 -0.76 -0.54 0.00 0.00 174.62 172.82 3cma s LEU 75 N 2.80 4.39 0.09 4.79 1.43 0.57 -4.93 118.68 127.82 3cma s LEU 75 Ca 0.18 0.84 0.05 0.00 -1.03 0.00 0.00 54.13 54.17 3cma s LEU 75 Cb -0.18 -2.56 -0.03 0.00 0.03 0.00 0.00 46.19 43.45 3cma s LEU 75 CO 0.14 0.21 -0.14 -0.13 0.23 0.00 0.00 176.35 176.65 3cma s ARG 76 N -0.40 0.89 4.41 1.70 0.52 -1.26 -1.24 118.95 123.57 3cma s ARG 76 Ca 0.23 -1.05 0.00 0.00 -0.52 0.00 0.00 55.73 54.39 3cma s ARG 76 Cb -0.16 -0.87 0.00 0.00 0.52 0.00 0.00 34.95 34.44 3cma s ARG 76 CO 0.11 0.19 0.00 -0.25 0.02 0.00 0.00 175.30 175.36 3cma n ASP 77 N 1.05 0.00 -0.02 0.23 8.00 -1.26 -3.58 116.55 120.96 3cma n ASP 77 Ca -0.19 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.45 3cma n ASP 77 Cb 0.55 0.00 0.68 0.00 -0.02 0.00 0.00 41.12 42.32 3cma n ASP 77 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3cma n GLU 78 N 9.20 0.38 -0.44 -1.24 1.02 -1.26 -0.60 120.64 127.70 3cma n GLU 78 Ca 0.00 -0.05 0.36 0.00 -0.02 0.00 0.00 57.16 57.45 3cma n GLU 78 Cb 0.00 -1.50 0.65 0.00 -0.02 0.00 0.00 31.44 30.57 3cma n GLU 78 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 3cma h MET 79 N 0.12 0.10 0.05 3.49 2.86 -1.95 0.32 114.93 119.92 3cma h MET 79 Ca 0.00 -0.01 -0.26 0.00 -2.06 0.00 0.00 59.70 57.38 3cma h MET 79 Cb 0.35 -0.02 0.02 0.00 0.06 0.00 0.00 31.60 32.01 3cma h MET 79 CO 0.00 0.07 -1.04 0.00 1.06 0.00 0.00 176.91 177.00 3cma h ALA 80 N 1.58 0.06 -0.01 6.32 0.00 -0.96 -3.04 119.26 123.22 3cma h ALA 80 Ca 0.80 -0.70 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3cma h ALA 80 Cb 2.52 0.08 0.00 0.00 0.00 0.00 0.00 17.79 20.39 3cma h ALA 80 CO -0.39 0.62 -0.03 0.93 0.00 0.00 0.00 179.25 180.37 3cma h GLU 81 N 0.24 0.03 -0.42 0.00 5.08 -0.45 -1.68 114.58 117.39 3cma h GLU 81 Ca -0.14 -0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.31 3cma h GLU 81 Cb 1.72 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.96 3cma h GLU 81 CO 0.20 0.70 0.41 0.93 -1.00 0.00 0.00 179.01 180.25 3cma h GLU 82 N -0.62 0.00 0.09 2.33 5.08 -0.71 -0.95 114.58 119.80 3cma h GLU 82 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3cma h GLU 82 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3cma h GLU 82 CO 0.01 0.00 -0.04 0.35 -1.00 0.00 0.00 179.01 178.33 3cma h PHE 83 N 0.00 -0.11 -1.02 4.33 3.57 -1.40 -3.36 116.94 118.95 3cma h PHE 83 Ca 0.20 -0.00 0.31 0.00 3.53 0.00 0.00 57.97 62.00 3cma h PHE 83 Cb 1.01 0.04 -0.14 0.00 2.79 0.00 0.00 35.95 39.64 3cma h PHE 83 CO 0.00 -0.07 0.60 -0.07 -2.23 0.00 0.00 178.31 176.54 3cma h LEU 84 N -0.61 0.53 -0.81 0.59 3.38 -0.65 0.10 115.31 117.84 3cma h LEU 84 Ca -0.01 0.17 0.17 0.00 0.09 0.00 0.00 57.88 58.30 3cma h LEU 84 Cb 0.09 0.11 -0.11 0.00 0.09 0.00 0.00 40.66 40.84 3cma h LEU 84 CO 0.02 -0.08 0.33 1.56 0.09 0.00 0.00 178.44 180.36 3cma h GLN 85 N 0.37 0.42 -0.02 1.13 4.20 -1.34 0.51 115.11 120.38 3cma h GLN 85 Ca 0.71 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.40 3cma h GLN 85 Cb 1.62 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.31 3cma h GLN 85 CO -0.55 0.28 -0.32 0.25 -0.67 0.00 0.00 178.83 177.81 3cma n THR 86 N -5.02 0.00 -0.11 -0.54 -2.24 -0.30 -4.38 114.28 101.69 3cma n THR 86 Ca 0.17 -0.34 -0.23 0.00 -2.27 0.00 0.00 64.05 61.38 3cma n THR 86 Cb 0.50 1.33 -0.11 0.00 -2.10 0.00 0.00 70.33 69.94 3cma n THR 86 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cma n ALA 87 N 0.40 1.19 -0.24 6.98 0.00 -0.13 -4.48 120.51 124.23 3cma n ALA 87 Ca 0.11 -0.96 -0.03 0.00 0.00 0.00 0.00 53.44 52.55 3cma n ALA 87 Cb 0.50 -0.15 0.07 0.00 0.00 0.00 0.00 19.45 19.88 3cma n ALA 87 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3cma h LEU 88 N -0.49 0.68 -2.00 0.00 3.38 -0.28 -1.43 115.31 115.17 3cma h LEU 88 Ca -0.58 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.40 3cma h LEU 88 Cb 1.74 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.35 3cma h LEU 88 CO -0.21 0.47 0.31 -0.65 0.09 0.00 0.00 178.44 178.45 3cma h PRO 89 N 0.82 0.00 -0.08 1.13 0.11 -1.76 0.23 132.00 132.43 3cma h PRO 89 Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 3cma h PRO 89 Cb 0.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.14 3cma h PRO 89 CO -0.11 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.96 3cma n LEU 90 N -2.85 1.04 -4.29 2.35 4.77 -0.54 -4.89 117.00 112.59 3cma n LEU 90 Ca -0.02 -0.42 -0.17 0.00 -0.03 0.00 0.00 56.01 55.37 3cma n LEU 90 Cb 0.35 -0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.29 3cma n LEU 90 CO 0.13 0.21 -0.43 0.00 -1.33 0.00 0.00 177.39 175.97 3cma s ALA 91 N -1.90 1.69 -0.81 -1.18 0.00 0.79 -4.99 121.76 115.37 3cma s ALA 91 Ca 0.33 -1.50 0.02 0.00 0.00 0.00 0.00 51.96 50.80 3cma s ALA 91 Cb 0.17 -0.04 0.24 0.00 0.00 0.00 0.00 23.12 23.49 3cma s ALA 91 CO 0.27 0.03 0.84 0.39 0.00 0.00 0.00 175.76 177.29 3cma n GLU 92 N -0.07 2.79 -1.62 0.00 1.02 -1.26 -5.02 120.64 116.48 3cma n GLU 92 Ca -0.11 -4.57 -0.40 0.00 -0.02 0.00 0.00 57.16 52.06 3cma n GLU 92 Cb 0.59 -2.36 0.02 0.00 -0.02 0.00 0.00 31.44 29.68 3cma n GLU 92 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3cma n LEU 93 N 1.56 3.02 -3.94 -4.62 4.77 -1.26 -5.02 117.00 111.51 3cma n LEU 93 Ca 0.25 0.97 -0.08 0.00 -0.03 0.00 0.00 56.01 57.12 3cma n LEU 93 Cb 0.37 -1.38 -0.08 0.00 -2.33 0.00 0.00 43.42 40.01 3cma n LEU 93 CO 0.42 -1.52 -0.18 0.00 -1.33 0.00 0.00 177.39 174.79 3cma s ALA 94 N -1.34 0.03 0.19 -1.18 0.00 -1.25 -4.40 121.76 113.81 3cma s ALA 94 Ca 0.66 -0.82 -0.18 0.00 0.00 0.00 0.00 51.96 51.62 3cma s ALA 94 Cb -0.51 0.44 0.15 0.00 0.00 0.00 0.00 23.12 23.20 3cma s ALA 94 CO 0.54 -0.47 1.61 1.15 0.00 0.00 0.00 175.76 178.60 3cma h THR 95 N 2.87 0.31 -0.62 0.00 2.02 -1.89 -1.59 112.91 114.01 3cma h THR 95 Ca -0.34 0.00 0.11 0.00 0.77 0.00 0.00 66.41 66.95 3cma h THR 95 Cb 1.18 0.31 -0.09 0.00 -1.74 0.00 0.00 68.15 67.82 3cma h THR 95 CO 0.59 0.00 0.16 0.77 0.37 0.00 0.00 175.52 177.41 3cma h SER 96 N -0.11 0.06 0.00 4.18 4.64 -1.97 -2.15 113.55 118.20 3cma h SER 96 Ca 0.24 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3cma h SER 96 Cb 0.49 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3cma h SER 96 CO -0.60 0.03 0.00 0.00 -0.87 0.00 0.00 176.83 175.40 3cma n GLN 97 N -5.10 0.01 -4.76 4.77 6.02 -0.60 -4.71 117.38 113.01 3cma n GLN 97 Ca 0.09 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.75 3cma n GLN 97 Cb 0.33 -1.00 -0.13 0.00 1.02 0.00 0.00 30.24 30.46 3cma n GLN 97 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3cma s PHE 98 N -1.42 2.81 0.56 1.08 0.40 -0.81 -3.62 117.98 116.97 3cma s PHE 98 Ca 0.00 -0.15 -0.19 0.00 -0.60 0.00 0.00 56.93 55.99 3cma s PHE 98 Cb 0.00 -1.70 -0.05 0.00 0.51 0.00 0.00 43.02 41.78 3cma s PHE 98 CO 0.00 0.18 1.12 0.34 0.70 0.00 0.00 175.22 177.57 3cma s ASP 99 N -0.58 5.66 0.15 1.36 2.15 0.81 -4.90 116.67 121.32 3cma s ASP 99 Ca 0.08 2.15 -0.14 0.00 0.43 0.00 0.00 52.55 55.07 3cma s ASP 99 Cb -0.12 -2.58 0.03 0.00 -0.30 0.00 0.00 42.92 39.96 3cma s ASP 99 CO 0.02 -1.26 1.70 0.44 -0.17 0.00 0.00 175.17 175.90 3cma h ASP 100 N 1.06 0.67 0.58 -0.34 5.19 -1.97 -2.14 116.42 119.48 3cma h ASP 100 Ca -0.50 -0.17 0.00 0.00 -0.62 0.00 0.00 57.03 55.74 3cma h ASP 100 Cb 1.26 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.59 3cma h ASP 100 CO 0.57 0.66 0.00 0.74 -3.12 0.00 0.00 179.24 178.09 3cma h THR 101 N 0.64 0.00 0.00 0.35 2.02 -1.93 -3.36 112.91 110.63 3cma h THR 101 Ca 0.16 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.08 3cma h THR 101 Cb 0.20 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 3cma h THR 101 CO -0.01 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.49 3cma n GLY 102 N -0.42 0.97 3.53 2.16 0.00 -0.80 -3.46 105.19 107.17 3cma n GLY 102 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3cma n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3cma s ASN 103 N -1.80 3.06 -0.16 1.61 0.02 -1.24 -4.12 114.94 112.31 3cma s ASN 103 Ca 0.00 -1.38 -0.21 0.00 -1.02 0.00 0.00 52.86 50.25 3cma s ASN 103 Cb 0.00 -0.21 0.05 0.00 0.02 0.00 0.00 41.25 41.12 3cma s ASN 103 CO 0.00 -0.55 0.54 0.72 0.02 0.00 0.00 177.10 177.84 3cma s PHE 104 N -3.03 -0.56 -0.08 2.20 -0.12 -1.16 0.28 117.98 115.51 3cma s PHE 104 Ca 0.35 1.26 -0.02 0.00 -0.05 0.00 0.00 56.93 58.48 3cma s PHE 104 Cb 0.09 0.23 0.03 0.00 -0.63 0.00 0.00 43.02 42.74 3cma s PHE 104 CO 0.16 -0.36 0.03 0.45 -0.05 0.00 0.00 175.22 175.45 3cma s SER 105 N -0.18 1.60 0.46 1.98 0.15 -1.24 -1.18 113.70 115.30 3cma s SER 105 Ca -0.04 -0.13 0.07 0.00 0.70 0.00 0.00 55.95 56.56 3cma s SER 105 Cb -0.03 -0.34 -0.01 0.00 -1.71 0.00 0.00 66.02 63.93 3cma s SER 105 CO 0.03 -0.23 0.35 0.72 1.20 0.00 0.00 173.24 175.31 3cma s PHE 106 N 2.04 2.28 0.00 3.44 -0.71 -0.40 -4.91 117.98 119.72 3cma s PHE 106 Ca 0.04 -0.64 0.00 0.00 -1.04 0.00 0.00 56.93 55.29 3cma s PHE 106 Cb -0.13 -2.03 0.00 0.00 -1.21 0.00 0.00 43.02 39.65 3cma s PHE 106 CO -0.05 -0.19 0.00 0.41 -1.34 0.00 0.00 175.22 174.05 3cma n GLY 107 N -1.57 -0.28 0.00 1.99 0.00 -1.26 -1.09 105.19 102.99 3cma n GLY 107 Ca 0.01 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.08 3cma n GLY 107 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3cma n LEU 128 N 0.00 0.00 -4.50 0.99 0.00 -1.26 -5.00 117.00 107.23 3cma n LEU 128 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 56.01 55.71 3cma n LEU 128 Cb 0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 43.42 43.30 3cma n LEU 128 CO 0.00 0.00 -0.47 -1.81 0.00 0.00 0.00 177.39 175.11 3cma s ASP 129 N -0.01 4.03 -0.16 1.96 1.01 -0.24 -5.01 116.67 118.26 3cma s ASP 129 Ca 0.00 -0.42 -0.02 0.00 0.71 0.00 0.00 52.55 52.83 3cma s ASP 129 Cb 0.00 -0.69 0.05 0.00 1.01 0.00 0.00 42.92 43.28 3cma s ASP 129 CO 0.00 0.23 -0.00 -0.69 0.21 0.00 0.00 175.17 174.91 3cma s VAL 130 N -1.04 0.71 -0.08 -1.27 1.01 -0.25 -2.16 120.40 117.32 3cma s VAL 130 Ca 0.17 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 3cma s VAL 130 Cb -0.11 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 3cma s VAL 130 CO 0.08 0.01 -0.03 -0.89 0.00 0.00 0.00 175.10 174.27 3cma s THR 131 N 1.80 4.02 -0.19 3.92 2.01 -0.91 -1.27 115.64 125.01 3cma s THR 131 Ca 0.01 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.66 3cma s THR 131 Cb -0.15 -2.67 0.04 0.00 0.01 0.00 0.00 72.50 69.72 3cma s THR 131 CO -0.07 0.60 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.64 3cma s VAL 132 N -0.80 1.77 -0.47 3.82 1.01 -0.32 -1.06 120.40 124.35 3cma s VAL 132 Ca 0.12 -1.00 -0.17 0.00 0.00 0.00 0.00 61.98 60.93 3cma s VAL 132 Cb -0.11 -1.77 0.06 0.00 0.00 0.00 0.00 36.38 34.56 3cma s VAL 132 CO 0.02 0.26 0.45 0.21 0.00 0.00 0.00 175.10 176.04 3cma s ASN 133 N 1.36 6.17 -0.17 3.32 3.04 0.97 -3.00 114.94 126.64 3cma s ASN 133 Ca 0.00 -1.08 -0.08 0.00 0.04 0.00 0.00 52.86 51.74 3cma s ASN 133 Cb -0.15 -2.21 -0.04 0.00 -1.54 0.00 0.00 41.25 37.30 3cma s ASN 133 CO -0.09 -0.67 0.12 -0.76 -3.04 0.00 0.00 177.10 172.65 3cma s LEU 134 N 1.96 4.19 0.20 3.21 1.43 -1.26 0.30 118.68 128.72 3cma s LEU 134 Ca 0.08 0.29 -0.09 0.00 -1.03 0.00 0.00 54.13 53.38 3cma s LEU 134 Cb -0.21 -2.06 -0.01 0.00 0.03 0.00 0.00 46.19 43.94 3cma s LEU 134 CO 0.09 0.27 0.33 0.54 0.23 0.00 0.00 176.35 177.81 3cma s VAL 135 N -0.16 0.03 0.52 -1.59 0.11 -0.85 -4.79 120.40 113.67 3cma s VAL 135 Ca 0.10 -1.47 -0.05 0.00 -2.93 0.00 0.00 61.98 57.63 3cma s VAL 135 Cb -0.12 -2.05 -0.01 0.00 -1.53 0.00 0.00 36.38 32.67 3cma s VAL 135 CO 0.00 -0.15 0.81 -0.13 -3.33 0.00 0.00 175.10 172.31 3cma s ARG 136 N -4.01 3.20 0.00 1.54 0.52 -1.26 -1.60 118.95 117.34 3cma s ARG 136 Ca 0.22 -0.00 0.00 0.00 -0.52 0.00 0.00 55.73 55.43 3cma s ARG 136 Cb 0.02 -2.36 0.00 0.00 0.52 0.00 0.00 34.95 33.13 3cma s ARG 136 CO 0.05 -0.42 0.26 -2.30 0.02 0.00 0.00 175.30 172.90 3cma n PRO 137 N -2.37 0.00 -1.15 3.54 -0.02 -1.26 -3.33 135.00 130.41 3cma n PRO 137 Ca 0.02 0.26 -0.35 0.00 -2.02 0.00 0.00 63.50 61.41 3cma n PRO 137 Cb 0.57 -0.55 -0.03 0.00 -0.02 0.00 0.00 33.50 33.47 3cma n PRO 137 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cma n GLY 138 N -0.71 3.47 0.11 -1.23 0.00 -1.26 -4.51 105.19 101.07 3cma n GLY 138 Ca 0.00 -1.24 -0.01 0.00 0.00 0.00 0.00 46.02 44.78 3cma n GLY 138 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3cma h TYR 139 N 6.36 0.00 -1.22 1.61 3.20 -1.97 -3.33 116.97 121.63 3cma h TYR 139 Ca 0.57 0.00 0.36 0.00 3.14 0.00 0.00 58.73 62.81 3cma h TYR 139 Cb 0.40 0.00 -0.10 0.00 1.54 0.00 0.00 36.73 38.57 3cma h TYR 139 CO 1.67 0.67 0.80 -0.09 -1.64 0.00 0.00 178.16 179.56 3cma h ARG 140 N 0.00 0.19 -0.61 1.82 2.43 -1.91 0.11 114.38 116.41 3cma h ARG 140 Ca -0.03 -0.01 0.18 0.00 -0.81 0.00 0.00 59.98 59.31 3cma h ARG 140 Cb 1.53 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 31.01 3cma h ARG 140 CO 0.08 0.13 0.67 0.28 -1.51 0.00 0.00 179.97 179.62 3cma h VAL 141 N 0.20 0.27 -0.00 0.20 2.07 -1.88 0.60 116.25 117.71 3cma h VAL 141 Ca 0.71 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.23 3cma h VAL 141 Cb 2.15 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 3cma h VAL 141 CO -0.31 0.00 -0.71 0.00 0.02 0.00 0.00 177.57 176.57 3cma n ALA 142 N -2.33 4.00 0.11 1.67 0.00 0.39 0.92 120.51 125.27 3cma n ALA 142 Ca 0.12 -0.47 0.05 0.00 0.00 0.00 0.00 53.44 53.14 3cma n ALA 142 Cb 0.89 -0.59 0.09 0.00 0.00 0.00 0.00 19.45 19.83 3cma n ALA 142 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3cma n LYS 143 N -1.20 1.68 -3.17 0.00 4.76 0.18 -4.83 118.16 115.58 3cma n LYS 143 Ca 0.04 -1.55 -0.20 0.00 -2.87 0.00 0.00 58.31 53.73 3cma n LYS 143 Cb 0.27 -1.21 0.01 0.00 -1.84 0.00 0.00 35.03 32.26 3cma n LYS 143 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 3cma s ARG 144 N -0.91 3.00 -0.11 1.97 1.70 0.47 -5.02 118.95 120.06 3cma s ARG 144 Ca 0.16 -0.86 -0.04 0.00 -0.47 0.00 0.00 55.73 54.53 3cma s ARG 144 Cb 0.09 -2.70 -0.01 0.00 -0.57 0.00 0.00 34.95 31.76 3cma s ARG 144 CO 0.13 -0.17 -0.07 -0.44 -1.08 0.00 0.00 175.30 173.67 3cma h ASP 145 N 0.62 0.00 -3.93 -2.89 3.45 -1.94 -3.40 116.42 108.32 3cma h ASP 145 Ca -0.45 0.00 -0.52 0.00 0.43 0.00 0.00 57.03 56.49 3cma h ASP 145 Cb 1.26 0.00 0.07 0.00 -0.56 0.00 0.00 39.33 40.10 3cma h ASP 145 CO 0.53 0.57 0.59 -0.54 -1.57 0.00 0.00 179.24 178.82 3cma s LYS 146 N -1.79 4.08 -0.10 3.56 1.02 -1.26 -3.67 119.74 121.58 3cma s LYS 146 Ca -0.06 2.09 -0.01 0.00 0.02 0.00 0.00 55.97 58.00 3cma s LYS 146 Cb 0.01 -2.81 0.01 0.00 -0.52 0.00 0.00 37.83 34.52 3cma s LYS 146 CO 0.09 -0.38 0.03 0.00 -0.92 0.00 0.00 175.35 174.17 3cma n ALA 147 N 0.27 -0.66 -0.60 5.17 0.00 -1.26 -4.85 120.51 118.58 3cma n ALA 147 Ca 0.03 -0.01 -0.31 0.00 0.00 0.00 0.00 53.44 53.15 3cma n ALA 147 Cb 0.44 -0.43 0.20 0.00 0.00 0.00 0.00 19.45 19.66 3cma n ALA 147 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3cma n SER 148 N -1.01 -2.34 -3.47 0.00 3.41 -1.24 -5.03 113.62 103.94 3cma n SER 148 Ca 0.01 -0.19 -0.11 0.00 -0.26 0.00 0.00 58.87 58.32 3cma n SER 148 Cb 0.32 -1.02 -0.02 0.00 -0.26 0.00 0.00 64.21 63.24 3cma n SER 148 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3cma s ARG 149 N -3.72 1.20 0.11 4.33 6.06 0.26 -4.99 118.95 122.21 3cma s ARG 149 Ca 0.59 -0.46 -0.22 0.00 -2.50 0.00 0.00 55.73 53.13 3cma s ARG 149 Cb -0.15 0.54 -0.07 0.00 0.06 0.00 0.00 34.95 35.33 3cma s ARG 149 CO 0.65 -0.53 0.67 0.45 -2.50 0.00 0.00 175.30 174.04 3cma s SER 150 N -2.70 7.22 -0.17 -2.12 0.15 -1.26 -3.00 113.70 111.82 3cma s SER 150 Ca 0.03 1.44 -0.29 0.00 0.70 0.00 0.00 55.95 57.83 3cma s SER 150 Cb -0.01 -2.43 -0.02 0.00 -1.71 0.00 0.00 66.02 61.85 3cma s SER 150 CO -0.11 0.24 1.42 -0.63 1.20 0.00 0.00 173.24 175.36 3cma s ILE 151 N -1.08 4.00 0.35 6.45 -1.09 -1.26 -4.98 121.20 123.59 3cma s ILE 151 Ca 0.32 1.19 -0.28 0.00 -2.23 0.00 0.00 60.65 59.66 3cma s ILE 151 Cb -0.21 -3.85 -0.12 0.00 -1.58 0.00 0.00 42.46 36.70 3cma s ILE 151 CO 0.22 -0.19 1.25 -2.65 -1.23 0.00 0.00 174.94 172.34 3cma n PRO 152 N 7.00 2.00 -0.36 2.79 -0.02 -1.26 -4.80 135.00 140.35 3cma n PRO 152 Ca 0.16 0.70 0.28 0.00 -2.02 0.00 0.00 63.50 62.62 3cma n PRO 152 Cb 0.45 -2.28 0.58 0.00 -0.02 0.00 0.00 33.50 32.23 3cma n PRO 152 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3cma h THR 153 N 2.40 0.39 0.00 3.45 1.35 -1.96 0.28 112.91 118.82 3cma h THR 153 Ca -0.46 -0.09 -0.01 0.00 -0.55 0.00 0.00 66.41 65.31 3cma h THR 153 Cb 1.29 0.11 -0.00 0.00 -1.73 0.00 0.00 68.15 67.82 3cma h THR 153 CO 0.62 0.05 -0.03 0.11 -0.25 0.00 0.00 175.52 176.02 3cma h LYS 154 N 0.26 0.00 -0.14 4.72 6.56 -2.02 -1.41 116.57 124.54 3cma h LYS 154 Ca 0.66 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.25 3cma h LYS 154 Cb 1.91 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.57 3cma h LYS 154 CO -0.30 0.03 0.00 1.58 -2.06 0.00 0.00 179.45 178.70 3cma n HIS 155 N -3.19 0.16 -2.80 -1.35 -0.00 0.97 -4.94 115.22 104.05 3cma n HIS 155 Ca -0.01 -0.08 -0.36 0.00 0.46 0.00 0.00 57.72 57.73 3cma n HIS 155 Cb 0.21 -0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.01 3cma n HIS 155 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 3cma s ARG 156 N -1.72 4.47 0.51 1.57 1.81 -0.53 -4.64 118.95 120.42 3cma s ARG 156 Ca 0.29 1.25 -0.20 0.00 -1.72 0.00 0.00 55.73 55.35 3cma s ARG 156 Cb 0.20 -2.62 -0.07 0.00 -0.45 0.00 0.00 34.95 32.00 3cma s ARG 156 CO 0.29 0.19 1.08 -1.17 -0.68 0.00 0.00 175.30 175.00 3cma s LEU 157 N -2.38 3.81 0.21 2.53 2.96 -1.22 -5.04 118.68 119.55 3cma s LEU 157 Ca 0.53 2.03 0.08 0.00 -0.22 0.00 0.00 54.13 56.56 3cma s LEU 157 Cb -0.16 -4.56 -0.04 0.00 0.50 0.00 0.00 46.19 41.93 3cma s LEU 157 CO 0.21 -0.95 -0.00 0.20 -1.32 0.00 0.00 176.35 174.48 3cma s ASN 158 N -1.88 4.69 0.17 3.68 -0.87 -1.26 -3.99 114.94 115.48 3cma s ASN 158 Ca 0.69 -0.48 -0.16 0.00 -1.57 0.00 0.00 52.86 51.34 3cma s ASN 158 Cb -0.20 -0.96 0.11 0.00 -0.02 0.00 0.00 41.25 40.19 3cma s ASN 158 CO 0.23 0.06 1.69 -0.65 -2.57 0.00 0.00 177.10 175.86 3cma h PRO 159 N 2.41 0.09 -0.44 -0.60 0.11 -1.80 0.41 132.00 132.18 3cma h PRO 159 Ca -0.46 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 3cma h PRO 159 Cb 1.22 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3cma h PRO 159 CO 0.58 0.06 0.21 0.00 -0.21 0.00 0.00 178.00 178.64 3cma h ALA 160 N 1.36 0.56 0.00 -0.75 0.00 -1.95 -0.48 119.26 118.00 3cma h ALA 160 Ca 0.20 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3cma h ALA 160 Cb 0.28 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3cma h ALA 160 CO -0.34 0.12 -0.13 -0.44 0.00 0.00 0.00 179.25 178.46 3cma h ASP 161 N 0.56 0.00 0.33 0.00 3.32 -1.70 -0.67 116.42 118.26 3cma h ASP 161 Ca 0.15 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 3cma h ASP 161 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3cma h ASP 161 CO -0.02 0.13 -0.16 0.00 -1.72 0.00 0.00 179.24 177.48 3cma h ALA 162 N 1.87 -0.45 -0.71 3.45 0.00 0.57 -2.35 119.26 121.65 3cma h ALA 162 Ca -0.00 -0.15 0.16 0.00 0.00 0.00 0.00 54.91 54.91 3cma h ALA 162 Cb 0.27 0.17 -0.11 0.00 0.00 0.00 0.00 17.79 18.12 3cma h ALA 162 CO 0.02 -0.45 0.10 0.28 0.00 0.00 0.00 179.25 179.20 3cma h VAL 163 N -1.05 0.47 0.02 0.00 2.07 -0.93 -0.67 116.25 116.16 3cma h VAL 163 Ca -0.05 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.41 3cma h VAL 163 Cb 0.44 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3cma h VAL 163 CO 0.07 0.04 -0.14 0.00 0.02 0.00 0.00 177.57 177.56 3cma h ALA 164 N 1.62 -0.64 -0.38 1.67 0.00 -1.15 0.42 119.26 120.79 3cma h ALA 164 Ca 0.39 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.32 3cma h ALA 164 Cb 0.67 0.60 -0.08 0.00 0.00 0.00 0.00 17.79 18.98 3cma h ALA 164 CO -0.55 -0.68 -0.52 0.35 0.00 0.00 0.00 179.25 177.85 3cma h PHE 165 N -0.19 -1.60 0.00 0.00 3.57 -0.80 0.37 116.94 118.29 3cma h PHE 165 Ca 0.00 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.58 3cma h PHE 165 Cb 0.20 0.75 0.00 0.00 2.79 0.00 0.00 35.95 39.69 3cma h PHE 165 CO -0.37 -0.46 0.00 -0.89 -2.23 0.00 0.00 178.31 174.36 3cma n ILE 166 N -5.20 0.00 -0.30 1.41 5.41 -0.33 -2.35 119.36 118.00 3cma n ILE 166 Ca -0.03 1.23 0.30 0.00 1.00 0.00 0.00 62.75 65.24 3cma n ILE 166 Cb 0.32 -2.05 0.54 0.00 -0.71 0.00 0.00 39.64 37.74 3cma n ILE 166 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3cma n GLU 167 N -1.44 -0.05 0.00 0.38 2.13 0.15 0.21 120.64 122.01 3cma n GLU 167 Ca 0.00 1.24 0.00 0.00 0.66 0.00 0.00 57.16 59.06 3cma n GLU 167 Cb 0.00 -2.24 0.00 0.00 0.27 0.00 0.00 31.44 29.47 3cma n GLU 167 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3cma n SER 168 N -4.99 0.74 -2.77 4.31 2.88 0.13 -3.92 113.62 110.00 3cma n SER 168 Ca 0.35 -0.95 -0.06 0.00 -1.33 0.00 0.00 58.87 56.88 3cma n SER 168 Cb 1.19 -0.24 0.02 0.00 -0.75 0.00 0.00 64.21 64.44 3cma n SER 168 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3cma n THR 169 N 0.40 -0.02 -2.01 2.46 -1.04 0.56 -5.00 114.28 109.62 3cma n THR 169 Ca 0.00 -1.19 -0.01 0.00 -2.04 0.00 0.00 64.05 60.81 3cma n THR 169 Cb 0.15 1.10 0.01 0.00 -1.82 0.00 0.00 70.33 69.76 3cma n THR 169 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3cma n TYR 170 N 2.56 -0.90 -3.21 -1.42 4.02 -1.25 -4.98 117.16 111.97 3cma n TYR 170 Ca 0.16 0.34 0.00 0.00 -0.01 0.00 0.00 57.90 58.38 3cma n TYR 170 Cb 0.58 -2.53 0.00 0.00 -0.02 0.00 0.00 39.34 37.37 3cma n TYR 170 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 3cma n ASP 171 N -1.47 0.00 -4.46 7.72 5.68 -1.26 -4.88 116.55 117.88 3cma n ASP 171 Ca -0.01 0.00 -0.30 0.00 -0.50 0.00 0.00 54.79 53.98 3cma n ASP 171 Cb 0.51 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.42 3cma n ASP 171 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3cma s VAL 172 N -2.81 0.85 0.00 2.12 1.01 -1.26 -4.87 120.40 115.44 3cma s VAL 172 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 59.98 3cma s VAL 172 Cb 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.19 3cma s VAL 172 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 175.10 173.26 3cma n GLU 173 N -1.13 3.31 0.00 2.72 0.28 -1.26 -4.83 120.64 119.72 3cma n GLU 173 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.86 3cma n GLU 173 Cb 0.66 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.53 3cma n GLU 173 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25