#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4s h HIS 11 N 0.00 0.62 -0.48 2.97 2.07 -2.03 -3.05 115.15 115.25 3g4s h HIS 11 Ca 0.00 0.01 -0.11 0.00 -2.85 0.00 0.00 60.37 57.41 3g4s h HIS 11 Cb 0.00 -0.21 -0.01 0.00 2.57 0.00 0.00 27.41 29.76 3g4s h HIS 11 CO 0.00 0.41 -0.14 1.49 -3.07 0.00 0.00 177.93 176.63 3g4s h GLU 12 N 0.66 0.93 -0.89 5.12 4.81 -2.05 0.05 114.58 123.21 3g4s h GLU 12 Ca 0.17 -0.37 -0.15 0.00 -0.13 0.00 0.00 59.36 58.89 3g4s h GLU 12 Cb -0.03 -0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.21 3g4s h GLU 12 CO -0.03 1.03 0.19 -1.33 -0.73 0.00 0.00 179.01 178.13 3g4s n MET 13 N -4.21 2.35 0.00 1.92 2.81 -1.15 -3.51 117.12 115.32 3g4s n MET 13 Ca 0.00 -1.66 0.00 0.00 -1.81 0.00 0.00 57.70 54.23 3g4s n MET 13 Cb 0.41 -1.77 0.00 0.00 -0.71 0.00 0.00 33.22 31.15 3g4s n MET 13 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3g4s n ARG 14 N -0.05 3.26 -2.31 0.03 5.12 -1.08 -4.65 116.66 116.99 3g4s n ARG 14 Ca 0.24 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.74 3g4s n ARG 14 Cb 0.96 -0.55 -0.03 0.00 -1.16 0.00 0.00 32.46 31.68 3g4s n ARG 14 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 3g4s s GLU 15 N -0.60 4.28 1.18 5.56 -1.05 -0.02 -4.73 118.70 123.33 3g4s s GLU 15 Ca 0.00 1.84 -0.15 0.00 -0.15 0.00 0.00 54.97 56.51 3g4s s GLU 15 Cb 0.00 -3.64 0.24 0.00 -0.44 0.00 0.00 34.13 30.29 3g4s s GLU 15 CO 0.00 -0.59 0.68 -2.30 0.95 0.00 0.00 175.26 174.00 3g4s n PRO 16 N 5.71 -2.36 -3.60 -4.83 -0.02 -1.26 -4.38 135.00 124.25 3g4s n PRO 16 Ca 0.13 -0.66 -0.10 0.00 -2.02 0.00 0.00 63.50 60.85 3g4s n PRO 16 Cb 0.45 -2.00 -0.02 0.00 -0.02 0.00 0.00 33.50 31.90 3g4s n PRO 16 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3g4s s ARG 17 N -4.08 1.45 -0.03 -0.52 1.70 -0.34 -4.97 118.95 112.16 3g4s s ARG 17 Ca 0.65 -0.66 -0.29 0.00 -0.47 0.00 0.00 55.73 54.96 3g4s s ARG 17 Cb -0.21 0.58 -0.03 0.00 -0.57 0.00 0.00 34.95 34.72 3g4s s ARG 17 CO 0.66 -0.65 0.93 0.42 -1.08 0.00 0.00 175.30 175.59 3g4s s ILE 18 N -3.77 4.89 -0.15 4.99 1.01 -1.26 -0.80 121.20 126.11 3g4s s ILE 18 Ca 0.05 1.94 -0.16 0.00 0.00 0.00 0.00 60.65 62.49 3g4s s ILE 18 Cb -0.03 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 38.12 3g4s s ILE 18 CO -0.05 0.15 -0.31 1.21 0.00 0.00 0.00 174.94 175.94 3g4s n GLU 19 N 4.10 0.47 -3.68 2.79 2.13 -0.68 -4.74 120.64 121.03 3g4s n GLU 19 Ca 0.05 0.19 -0.14 0.00 0.66 0.00 0.00 57.16 57.91 3g4s n GLU 19 Cb 0.51 -1.33 -0.14 0.00 0.27 0.00 0.00 31.44 30.74 3g4s n GLU 19 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 3g4s s LYS 20 N -2.81 0.11 -0.35 5.31 -2.85 -1.23 -4.45 119.74 113.47 3g4s s LYS 20 Ca -0.26 0.61 -0.13 0.00 -1.00 0.00 0.00 55.97 55.19 3g4s s LYS 20 Cb 0.04 -0.15 -0.01 0.00 -2.06 0.00 0.00 37.83 35.65 3g4s s LYS 20 CO 0.38 -0.26 0.24 0.08 0.10 0.00 0.00 175.35 175.90 3g4s s VAL 21 N 2.05 5.17 -0.29 1.79 1.01 -1.01 -1.76 120.40 127.38 3g4s s VAL 21 Ca -0.01 -0.36 -0.10 0.00 0.00 0.00 0.00 61.98 61.52 3g4s s VAL 21 Cb -0.12 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 3g4s s VAL 21 CO -0.07 -0.07 0.16 -0.69 0.00 0.00 0.00 175.10 174.42 3g4s s VAL 22 N 1.69 4.87 -0.20 2.92 1.01 0.15 -1.41 120.40 129.43 3g4s s VAL 22 Ca 0.06 -0.12 -0.06 0.00 0.00 0.00 0.00 61.98 61.85 3g4s s VAL 22 Cb -0.18 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 3g4s s VAL 22 CO 0.10 0.19 0.03 0.68 0.00 0.00 0.00 175.10 176.10 3g4s s VAL 23 N 1.68 4.24 -0.02 2.92 -7.23 -0.89 -0.25 120.40 120.84 3g4s s VAL 23 Ca 0.06 -0.21 0.04 0.00 -1.81 0.00 0.00 61.98 60.05 3g4s s VAL 23 Cb -0.16 -2.93 -0.00 0.00 0.56 0.00 0.00 36.38 33.85 3g4s s VAL 23 CO 0.08 0.42 -0.13 -2.28 -0.31 0.00 0.00 175.10 172.88 3g4s s HIS 24 N 0.96 1.26 -0.33 2.82 5.04 -0.07 -2.46 115.29 122.50 3g4s s HIS 24 Ca 0.02 -0.30 -0.00 0.00 -1.54 0.00 0.00 55.06 53.24 3g4s s HIS 24 Cb -0.14 -0.85 0.11 0.00 0.04 0.00 0.00 32.58 31.74 3g4s s HIS 24 CO 0.02 -0.09 0.12 -1.64 -2.34 0.00 0.00 174.74 170.82 3g4s s MET 25 N -0.05 0.80 -0.38 2.88 -1.94 -0.76 -1.38 119.30 118.47 3g4s s MET 25 Ca -0.00 -1.23 -0.11 0.00 -1.71 0.00 0.00 55.69 52.64 3g4s s MET 25 Cb -0.08 -2.03 0.04 0.00 2.01 0.00 0.00 34.83 34.77 3g4s s MET 25 CO 0.01 -1.02 0.22 0.20 -0.01 0.00 0.00 175.02 174.41 3g4s s GLY 26 N 1.40 1.94 -0.01 -0.03 0.00 -1.26 -2.59 107.32 106.78 3g4s s GLY 26 Ca 0.11 -1.81 -0.01 0.00 0.00 0.00 0.00 44.72 43.02 3g4s s GLY 26 CO -0.20 0.87 -0.01 1.39 0.00 0.00 0.00 173.10 175.15 3g4s n ILE 27 N 4.99 0.06 0.00 0.90 5.41 -1.05 -4.98 119.36 124.68 3g4s n ILE 27 Ca -0.12 0.49 0.00 0.00 1.00 0.00 0.00 62.75 64.12 3g4s n ILE 27 Cb 0.45 -1.53 0.00 0.00 -0.71 0.00 0.00 39.64 37.85 3g4s n ILE 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3g4s n GLY 28 N 1.61 1.68 0.94 7.39 0.00 -0.80 -5.03 105.19 110.98 3g4s n GLY 28 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 3g4s n GLY 28 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3g4s n HIS 29 N -0.34 0.00 0.00 1.61 -0.00 -1.26 -4.86 115.22 110.37 3g4s n HIS 29 Ca 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 57.72 57.49 3g4s n HIS 29 Cb 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 29.99 29.94 3g4s n HIS 29 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3g4s n ALA 35 N 0.21 0.00 0.08 1.59 0.00 -1.26 -4.97 120.51 116.16 3g4s n ALA 35 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.48 3g4s n ALA 35 Cb 0.88 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.29 3g4s n ALA 35 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 3g4s h ASN 36 N 0.00 0.00 0.06 0.00 -1.07 -2.01 -3.38 115.58 109.18 3g4s h ASN 36 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3g4s h ASN 36 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 3g4s h ASN 36 CO 0.00 0.46 0.00 0.00 0.07 0.00 0.00 177.43 177.96 3g4s n ALA 37 N -2.31 1.46 0.12 4.14 0.00 -1.26 -3.37 120.51 119.29 3g4s n ALA 37 Ca -0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 53.44 53.34 3g4s n ALA 37 Cb 0.76 -1.07 0.14 0.00 0.00 0.00 0.00 19.45 19.27 3g4s n ALA 37 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3g4s h GLU 38 N 0.00 0.06 -0.06 0.00 5.08 -1.98 -3.37 114.58 114.32 3g4s h GLU 38 Ca 0.00 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3g4s h GLU 38 Cb 0.03 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 3g4s h GLU 38 CO 0.00 0.69 -0.00 -0.44 -1.00 0.00 0.00 179.01 178.26 3g4s h ASP 39 N 0.05 0.10 0.48 1.42 3.32 -1.91 -3.28 116.42 116.60 3g4s h ASP 39 Ca -0.01 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.72 3g4s h ASP 39 Cb 1.15 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.68 3g4s h ASP 39 CO 0.09 0.40 0.00 2.30 -1.72 0.00 0.00 179.24 180.31 3g4s n ILE 40 N -4.86 1.06 0.00 0.35 -5.35 -1.26 -2.63 119.36 106.67 3g4s n ILE 40 Ca -0.07 0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.72 3g4s n ILE 40 Cb 0.19 -1.16 -0.11 0.00 -1.74 0.00 0.00 39.64 36.83 3g4s n ILE 40 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3g4s n LEU 41 N -1.78 0.58 0.00 7.28 4.77 -1.24 -3.15 117.00 123.46 3g4s n LEU 41 Ca 0.02 0.25 0.13 0.00 -0.03 0.00 0.00 56.01 56.38 3g4s n LEU 41 Cb 0.16 0.13 0.56 0.00 -2.33 0.00 0.00 43.42 41.95 3g4s n LEU 41 CO 0.14 0.17 0.91 0.61 -1.33 0.00 0.00 177.39 177.89 3g4s n GLY 42 N 1.43 -1.38 0.12 -0.72 0.00 -1.08 -2.46 105.19 101.10 3g4s n GLY 42 Ca -0.13 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 3g4s n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3g4s n GLU 43 N -1.49 0.61 0.06 1.61 1.02 -1.21 -4.54 120.64 116.71 3g4s n GLU 43 Ca 0.07 0.41 -0.15 0.00 -0.02 0.00 0.00 57.16 57.46 3g4s n GLU 43 Cb 0.30 -1.66 -0.14 0.00 -0.02 0.00 0.00 31.44 29.92 3g4s n GLU 43 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 3g4s h ILE 44 N -0.74 1.24 0.00 -3.67 2.10 -1.59 -3.44 117.51 111.41 3g4s h ILE 44 Ca -0.47 -2.89 0.00 0.00 1.08 0.00 0.00 64.86 62.58 3g4s h ILE 44 Cb 1.56 2.77 0.00 0.00 -1.09 0.00 0.00 36.82 40.06 3g4s h ILE 44 CO -0.21 0.82 0.00 0.35 -1.08 0.00 0.00 178.15 178.04 3g4s n THR 45 N -3.43 0.00 0.00 2.19 -2.24 -1.03 -4.94 114.28 104.83 3g4s n THR 45 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3g4s n THR 45 Cb 1.03 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 3g4s n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3g4s n GLY 46 N 3.37 0.00 3.50 3.38 0.00 -1.26 -4.98 105.19 109.20 3g4s n GLY 46 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3g4s n GLY 46 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3g4s s GLN 47 N 0.00 1.83 0.01 1.61 -2.07 -1.26 -5.14 119.66 114.64 3g4s s GLN 47 Ca 0.00 -1.66 -0.30 0.00 -1.82 0.00 0.00 55.36 51.58 3g4s s GLN 47 Cb 0.00 0.44 -0.03 0.00 -1.09 0.00 0.00 33.01 32.33 3g4s s GLN 47 CO 0.00 -0.76 1.01 -1.64 -1.32 0.00 0.00 175.29 172.58 3g4s s MET 48 N -3.23 4.55 0.54 9.60 -1.94 -1.26 -4.60 119.30 122.95 3g4s s MET 48 Ca 0.29 1.47 -0.07 0.00 -1.71 0.00 0.00 55.69 55.67 3g4s s MET 48 Cb -0.00 -3.44 -0.03 0.00 2.01 0.00 0.00 34.83 33.37 3g4s s MET 48 CO 0.18 -0.06 0.86 -1.25 -0.01 0.00 0.00 175.02 174.74 3g4s s PRO 49 N 0.96 3.42 0.01 2.03 0.04 -1.26 -4.94 135.00 135.26 3g4s s PRO 49 Ca 0.53 0.28 0.05 0.00 0.04 0.00 0.00 61.00 61.90 3g4s s PRO 49 Cb -0.22 -2.29 -0.02 0.00 0.04 0.00 0.00 34.50 32.01 3g4s s PRO 49 CO 0.28 -0.39 -0.16 0.14 0.04 0.00 0.00 177.00 176.91 3g4s s VAL 50 N -2.89 1.30 0.53 -0.36 -7.23 -0.48 -4.97 120.40 106.29 3g4s s VAL 50 Ca 0.50 -0.86 -0.18 0.00 -1.81 0.00 0.00 61.98 59.64 3g4s s VAL 50 Cb -0.10 -1.11 -0.06 0.00 0.56 0.00 0.00 36.38 35.66 3g4s s VAL 50 CO 0.47 0.24 1.03 -0.13 -0.31 0.00 0.00 175.10 176.40 3g4s s ARG 51 N -0.72 3.64 -0.13 4.82 1.81 -1.26 -0.28 118.95 126.82 3g4s s ARG 51 Ca 0.05 1.21 0.03 0.00 -1.72 0.00 0.00 55.73 55.29 3g4s s ARG 51 Cb -0.07 -2.08 0.01 0.00 -0.45 0.00 0.00 34.95 32.36 3g4s s ARG 51 CO 0.00 -0.54 -0.21 0.99 -0.68 0.00 0.00 175.30 174.85 3g4s s THR 52 N -2.31 2.15 0.00 0.02 2.01 -0.38 -4.85 115.64 112.28 3g4s s THR 52 Ca 0.64 -0.96 0.00 0.00 0.31 0.00 0.00 61.69 61.68 3g4s s THR 52 Cb -0.15 -1.85 0.00 0.00 0.01 0.00 0.00 72.50 70.51 3g4s s THR 52 CO 0.29 0.55 0.00 0.29 -0.69 0.00 0.00 174.62 175.06 3g4s n LYS 53 N 3.95 0.88 -3.97 4.92 5.02 -1.26 -1.10 118.16 126.60 3g4s n LYS 53 Ca -0.20 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 55.99 3g4s n LYS 53 Cb 0.52 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.50 3g4s n LYS 53 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3g4s s ALA 54 N -2.62 -0.15 0.16 7.82 0.00 -1.23 -4.85 121.76 120.88 3g4s s ALA 54 Ca 0.00 -0.98 0.08 0.00 0.00 0.00 0.00 51.96 51.06 3g4s s ALA 54 Cb 0.00 0.99 -0.04 0.00 0.00 0.00 0.00 23.12 24.07 3g4s s ALA 54 CO 0.00 -0.88 -0.18 0.15 0.00 0.00 0.00 175.76 174.85 3g4s s LYS 55 N -3.38 1.23 0.35 0.00 1.02 -1.26 -4.64 119.74 113.06 3g4s s LYS 55 Ca 0.22 -1.37 0.00 0.00 0.02 0.00 0.00 55.97 54.84 3g4s s LYS 55 Cb -0.02 -1.28 0.00 0.00 -0.52 0.00 0.00 37.83 36.01 3g4s s LYS 55 CO 0.13 0.26 0.00 0.54 -0.92 0.00 0.00 175.35 175.36 3g4s n ARG 56 N 0.36 -2.98 -2.44 1.68 1.74 -1.26 -4.95 116.66 108.81 3g4s n ARG 56 Ca -0.14 2.23 -0.43 0.00 -0.77 0.00 0.00 57.85 58.74 3g4s n ARG 56 Cb 0.57 -2.52 -0.02 0.00 -1.02 0.00 0.00 32.46 29.46 3g4s n ARG 56 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3g4s s THR 57 N -3.07 4.28 -0.04 0.55 2.01 -1.26 -4.87 115.64 113.25 3g4s s THR 57 Ca 0.00 1.53 0.07 0.00 0.31 0.00 0.00 61.69 63.60 3g4s s THR 57 Cb 0.00 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.44 3g4s s THR 57 CO 0.00 -0.21 -0.25 -0.69 -0.69 0.00 0.00 174.62 172.78 3g4s s VAL 58 N 3.65 2.12 -1.08 3.82 1.01 -0.55 -4.99 120.40 124.39 3g4s s VAL 58 Ca 0.54 -1.07 0.15 0.00 0.00 0.00 0.00 61.98 61.60 3g4s s VAL 58 Cb -0.20 -1.75 0.15 0.00 0.00 0.00 0.00 36.38 34.57 3g4s s VAL 58 CO 0.16 0.58 1.46 0.61 0.00 0.00 0.00 175.10 177.90 3g4s n GLY 59 N 2.64 -0.96 2.29 4.51 0.00 -1.26 -2.73 105.19 109.68 3g4s n GLY 59 Ca -0.17 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 3g4s n GLY 59 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3g4s n GLU 60 N -1.46 2.24 -3.75 1.61 0.28 -1.26 -4.69 120.64 113.61 3g4s n GLU 60 Ca 0.04 -1.82 -0.24 0.00 -0.16 0.00 0.00 57.16 54.99 3g4s n GLU 60 Cb 0.16 -2.08 0.02 0.00 1.43 0.00 0.00 31.44 30.97 3g4s n GLU 60 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 3g4s n PHE 61 N 1.50 -1.86 -2.97 -1.84 -0.00 -1.26 -4.94 117.46 106.08 3g4s n PHE 61 Ca 0.46 0.75 -0.14 0.00 -0.00 0.00 0.00 57.45 58.53 3g4s n PHE 61 Cb 0.69 -4.05 0.02 0.00 -0.00 0.00 0.00 39.48 36.13 3g4s n PHE 61 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3g4s n ASP 62 N -2.98 0.06 -0.01 -2.13 -0.08 -1.11 -4.96 116.55 105.34 3g4s n ASP 62 Ca -0.26 -3.08 -0.15 0.00 -1.51 0.00 0.00 54.79 49.79 3g4s n ASP 62 Cb 0.66 0.06 -0.14 0.00 2.34 0.00 0.00 41.12 44.04 3g4s n ASP 62 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 3g4s n ILE 63 N 0.18 1.70 -2.09 5.18 -5.35 -1.23 -1.48 119.36 116.28 3g4s n ILE 63 Ca 0.16 -0.72 -0.41 0.00 -0.27 0.00 0.00 62.75 61.51 3g4s n ILE 63 Cb 0.71 -1.40 -0.02 0.00 -1.74 0.00 0.00 39.64 37.18 3g4s n ILE 63 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3g4s s ARG 64 N -2.57 4.32 -0.10 6.28 3.52 -1.26 -4.51 118.95 124.62 3g4s s ARG 64 Ca -0.14 2.23 -0.04 0.00 -0.13 0.00 0.00 55.73 57.65 3g4s s ARG 64 Cb 0.07 -3.10 -0.01 0.00 -1.56 0.00 0.00 34.95 30.35 3g4s s ARG 64 CO 0.79 -0.30 -0.07 1.49 -0.81 0.00 0.00 175.30 176.41 3g4s h GLU 65 N 4.35 0.00 -5.37 5.12 4.81 -1.93 -3.42 114.58 118.14 3g4s h GLU 65 Ca -0.47 0.00 -0.70 0.00 -0.13 0.00 0.00 59.36 58.06 3g4s h GLU 65 Cb 1.22 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.48 3g4s h GLU 65 CO 0.72 0.00 1.80 0.20 -0.73 0.00 0.00 179.01 181.00 3g4s s GLY 66 N -3.60 1.97 -0.13 1.92 0.00 -1.26 -3.57 107.32 102.65 3g4s s GLY 66 Ca -0.06 -3.09 -0.11 0.00 0.00 0.00 0.00 44.72 41.46 3g4s s GLY 66 CO 0.08 2.42 0.33 0.51 0.00 0.00 0.00 173.10 176.45 3g4s s ASP 67 N 3.63 -0.35 -0.26 1.64 -4.77 -1.26 -5.09 116.67 110.20 3g4s s ASP 67 Ca 0.49 0.67 -0.28 0.00 -3.30 0.00 0.00 52.55 50.13 3g4s s ASP 67 Cb 0.01 0.67 -0.03 0.00 -1.09 0.00 0.00 42.92 42.47 3g4s s ASP 67 CO 0.04 -0.12 2.00 -2.84 0.70 0.00 0.00 175.17 174.95 3g4s s PRO 68 N 0.32 3.27 -0.17 2.11 0.02 -1.26 -4.40 135.00 134.88 3g4s s PRO 68 Ca -0.01 1.75 -0.05 0.00 0.02 0.00 0.00 61.00 62.71 3g4s s PRO 68 Cb -0.03 -4.28 -0.09 0.00 0.02 0.00 0.00 34.50 30.13 3g4s s PRO 68 CO -0.01 -1.94 -0.19 -0.89 -0.33 0.00 0.00 177.00 173.63 3g4s n ILE 69 N 7.52 0.94 -3.76 2.83 5.41 -0.25 -4.72 119.36 127.33 3g4s n ILE 69 Ca 0.26 -0.28 0.00 0.00 1.00 0.00 0.00 62.75 63.73 3g4s n ILE 69 Cb 0.46 -1.50 0.00 0.00 -0.71 0.00 0.00 39.64 37.89 3g4s n ILE 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3g4s n GLY 70 N 2.21 4.92 3.64 7.39 0.00 -0.53 -1.91 105.19 120.90 3g4s n GLY 70 Ca -0.32 -2.04 -0.10 0.00 0.00 0.00 0.00 46.02 43.56 3g4s n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g4s s ALA 71 N -2.00 -1.85 0.20 4.61 0.00 -1.07 -1.25 121.76 120.41 3g4s s ALA 71 Ca 0.00 2.26 -0.07 0.00 0.00 0.00 0.00 51.96 54.15 3g4s s ALA 71 Cb 0.00 -1.34 -0.02 0.00 0.00 0.00 0.00 23.12 21.76 3g4s s ALA 71 CO 0.00 -0.36 0.28 -1.59 0.00 0.00 0.00 175.76 174.09 3g4s s LYS 72 N 1.13 1.29 -0.10 0.00 -2.85 0.61 -1.83 119.74 117.99 3g4s s LYS 72 Ca -0.06 -1.38 -0.11 0.00 -1.00 0.00 0.00 55.97 53.42 3g4s s LYS 72 Cb -0.05 0.36 0.03 0.00 -2.06 0.00 0.00 37.83 36.11 3g4s s LYS 72 CO -0.12 -0.48 0.30 0.54 0.10 0.00 0.00 175.35 175.69 3g4s s VAL 73 N -4.06 0.01 -0.20 1.79 0.11 -1.03 -1.39 120.40 115.63 3g4s s VAL 73 Ca 0.27 -0.04 -0.03 0.00 -2.93 0.00 0.00 61.98 59.26 3g4s s VAL 73 Cb 0.04 -0.43 -0.00 0.00 -1.53 0.00 0.00 36.38 34.45 3g4s s VAL 73 CO 0.08 -0.02 -0.08 0.42 -3.33 0.00 0.00 175.10 172.16 3g4s s THR 74 N 0.04 3.11 -0.25 5.04 -4.23 -1.26 -2.09 115.64 115.99 3g4s s THR 74 Ca -0.01 -0.59 -0.09 0.00 -1.18 0.00 0.00 61.69 59.82 3g4s s THR 74 Cb -0.02 -2.39 -0.04 0.00 1.34 0.00 0.00 72.50 71.39 3g4s s THR 74 CO 0.01 0.46 0.11 -0.76 -0.54 0.00 0.00 174.62 173.90 3g4s s LEU 75 N 1.28 3.69 0.07 4.79 1.43 -0.50 -4.91 118.68 124.53 3g4s s LEU 75 Ca 0.03 -0.10 0.04 0.00 -1.03 0.00 0.00 54.13 53.07 3g4s s LEU 75 Cb -0.14 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 3g4s s LEU 75 CO -0.04 -0.02 -0.00 -0.13 0.23 0.00 0.00 176.35 176.39 3g4s s ARG 76 N 1.55 2.59 6.66 1.70 3.00 -1.26 -2.40 118.95 130.79 3g4s s ARG 76 Ca 0.06 -0.79 0.00 0.00 0.00 0.00 0.00 55.73 55.00 3g4s s ARG 76 Cb -0.15 -2.56 0.00 0.00 0.00 0.00 0.00 34.95 32.24 3g4s s ARG 76 CO 0.06 0.56 0.00 -0.25 0.00 0.00 0.00 175.30 175.67 3g4s n ASP 77 N 0.76 0.00 -0.12 0.23 10.43 -1.26 -3.39 116.55 123.20 3g4s n ASP 77 Ca -0.12 0.00 -0.08 0.00 2.57 0.00 0.00 54.79 57.17 3g4s n ASP 77 Cb 0.52 0.00 0.08 0.00 1.84 0.00 0.00 41.12 43.56 3g4s n ASP 77 CO 0.00 0.00 0.00 -0.33 -1.07 0.00 0.00 177.20 175.80 3g4s h GLU 78 N 0.00 0.85 0.00 -1.24 5.08 -1.98 -2.99 114.58 114.30 3g4s h GLU 78 Ca 0.00 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 3g4s h GLU 78 Cb 0.00 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3g4s h GLU 78 CO 0.00 0.94 0.00 -1.33 -1.00 0.00 0.00 179.01 177.62 3g4s n MET 79 N -4.14 0.27 -0.08 2.33 2.81 -1.22 -2.09 117.12 115.00 3g4s n MET 79 Ca 0.01 0.12 -0.22 0.00 -1.81 0.00 0.00 57.70 55.79 3g4s n MET 79 Cb 0.40 -1.50 -0.12 0.00 -0.71 0.00 0.00 33.22 31.29 3g4s n MET 79 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3g4s n ALA 80 N -1.23 1.09 0.03 3.04 0.00 -1.13 -3.87 120.51 118.43 3g4s n ALA 80 Ca 0.08 -0.82 -0.12 0.00 0.00 0.00 0.00 53.44 52.58 3g4s n ALA 80 Cb 0.11 -0.33 -0.00 0.00 0.00 0.00 0.00 19.45 19.22 3g4s n ALA 80 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3g4s h GLU 81 N -0.36 0.53 0.00 0.00 5.08 -1.51 -2.61 114.58 115.70 3g4s h GLU 81 Ca -0.51 -0.43 -0.06 0.00 -1.00 0.00 0.00 59.36 57.36 3g4s h GLU 81 Cb 1.78 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 31.11 3g4s h GLU 81 CO -0.12 1.06 -0.28 0.93 -1.00 0.00 0.00 179.01 179.60 3g4s h GLU 82 N 0.36 0.00 0.19 2.33 5.08 -1.64 -2.63 114.58 118.27 3g4s h GLU 82 Ca -0.04 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.01 3g4s h GLU 82 Cb 1.34 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.61 3g4s h GLU 82 CO 0.14 0.28 -1.39 0.35 -1.00 0.00 0.00 179.01 177.39 3g4s h PHE 83 N 0.00 0.72 0.00 4.33 3.57 -1.66 -3.33 116.94 120.57 3g4s h PHE 83 Ca -0.00 -0.53 0.00 0.00 3.53 0.00 0.00 57.97 60.97 3g4s h PHE 83 Cb 0.66 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.37 3g4s h PHE 83 CO 0.00 1.43 0.00 -0.07 -2.23 0.00 0.00 178.31 177.44 3g4s h LEU 84 N 0.11 0.00 -1.36 0.59 3.38 -1.14 -2.00 115.31 114.89 3g4s h LEU 84 Ca -0.20 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 3g4s h LEU 84 Cb 2.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.81 3g4s h LEU 84 CO 0.23 0.00 -0.26 1.56 0.09 0.00 0.00 178.44 180.07 3g4s h GLN 85 N 0.00 0.00 0.00 1.13 4.20 -1.58 -2.02 115.11 116.83 3g4s h GLN 85 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3g4s h GLN 85 Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 3g4s h GLN 85 CO 0.00 0.26 -1.15 0.25 -0.67 0.00 0.00 178.83 177.52 3g4s n THR 86 N -3.64 0.00 -0.00 -0.54 -2.24 -1.11 -4.59 114.28 102.15 3g4s n THR 86 Ca -0.01 -0.25 -0.17 0.00 -2.27 0.00 0.00 64.05 61.35 3g4s n THR 86 Cb 0.38 0.59 -0.14 0.00 -2.10 0.00 0.00 70.33 69.06 3g4s n THR 86 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g4s n ALA 87 N -1.66 1.07 -0.02 6.98 0.00 -0.77 -4.45 120.51 121.67 3g4s n ALA 87 Ca 0.00 -0.65 -0.12 0.00 0.00 0.00 0.00 53.44 52.68 3g4s n ALA 87 Cb 0.29 -0.73 0.01 0.00 0.00 0.00 0.00 19.45 19.02 3g4s n ALA 87 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3g4s h LEU 88 N 0.05 0.75 -1.23 0.00 3.38 -1.64 -3.24 115.31 113.39 3g4s h LEU 88 Ca -0.38 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.17 3g4s h LEU 88 Cb 2.03 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.56 3g4s h LEU 88 CO 0.09 1.17 0.00 -2.65 0.09 0.00 0.00 178.44 177.13 3g4s n PRO 89 N -3.96 0.81 -0.07 1.13 -0.02 -1.26 -3.49 135.00 128.14 3g4s n PRO 89 Ca -0.04 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.30 3g4s n PRO 89 Cb 0.63 -1.34 -0.06 0.00 -0.02 0.00 0.00 33.50 32.72 3g4s n PRO 89 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3g4s n LEU 90 N 0.21 1.79 -4.87 2.45 4.77 -1.22 -5.04 117.00 115.09 3g4s n LEU 90 Ca 0.00 0.09 -0.34 0.00 -0.03 0.00 0.00 56.01 55.73 3g4s n LEU 90 Cb 0.25 -0.46 -0.05 0.00 -2.33 0.00 0.00 43.42 40.82 3g4s n LEU 90 CO 0.00 0.48 0.10 0.00 -1.33 0.00 0.00 177.39 176.63 3g4s s ALA 91 N -2.28 3.71 -0.68 -1.18 0.00 -1.23 -5.04 121.76 115.06 3g4s s ALA 91 Ca -0.20 -0.38 -0.22 0.00 0.00 0.00 0.00 51.96 51.16 3g4s s ALA 91 Cb 0.07 -2.29 0.08 0.00 0.00 0.00 0.00 23.12 20.98 3g4s s ALA 91 CO 0.29 0.57 0.95 -1.21 0.00 0.00 0.00 175.76 176.35 3g4s s GLU 92 N -2.15 3.15 0.16 0.00 2.02 -1.26 -5.02 118.70 115.61 3g4s s GLU 92 Ca 0.36 -1.00 -0.31 0.00 0.02 0.00 0.00 54.97 54.05 3g4s s GLU 92 Cb -0.13 -4.31 -0.09 0.00 0.10 0.00 0.00 34.13 29.70 3g4s s GLU 92 CO 0.20 -1.78 1.41 -0.51 0.02 0.00 0.00 175.26 174.60 3g4s s LEU 93 N 3.73 4.38 0.00 1.80 1.43 -1.26 -5.05 118.68 123.72 3g4s s LEU 93 Ca 0.22 2.45 0.00 0.00 -1.03 0.00 0.00 54.13 55.77 3g4s s LEU 93 Cb -0.17 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.46 3g4s s LEU 93 CO 0.07 -0.67 0.00 0.00 0.23 0.00 0.00 176.35 175.99 3g4s n ALA 94 N 3.41 0.00 -0.11 4.21 0.00 -1.26 -4.17 120.51 122.59 3g4s n ALA 94 Ca 0.10 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.36 3g4s n ALA 94 Cb 0.41 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.77 3g4s n ALA 94 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3g4s n THR 95 N -0.46 1.25 0.81 0.00 -1.04 -1.26 -4.52 114.28 109.06 3g4s n THR 95 Ca 0.00 -0.43 0.01 0.00 -2.04 0.00 0.00 64.05 61.59 3g4s n THR 95 Cb 0.00 -1.44 0.07 0.00 -1.82 0.00 0.00 70.33 67.14 3g4s n THR 95 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3g4s n SER 96 N -3.41 1.64 -1.38 8.00 3.41 -1.26 -3.69 113.62 116.94 3g4s n SER 96 Ca -0.41 -2.14 0.06 0.00 -0.26 0.00 0.00 58.87 56.13 3g4s n SER 96 Cb 0.88 -0.47 0.31 0.00 -0.26 0.00 0.00 64.21 64.68 3g4s n SER 96 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g4s n GLN 97 N 0.07 3.66 -4.56 4.33 6.02 -1.26 -4.99 117.38 120.65 3g4s n GLN 97 Ca 0.05 -3.00 -0.30 0.00 -0.01 0.00 0.00 57.00 53.74 3g4s n GLN 97 Cb 0.37 -2.04 -0.13 0.00 1.02 0.00 0.00 30.24 29.46 3g4s n GLN 97 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3g4s s PHE 98 N -2.85 2.37 0.50 1.08 0.40 -1.24 -4.13 117.98 114.11 3g4s s PHE 98 Ca 0.48 -0.36 -0.04 0.00 -0.60 0.00 0.00 56.93 56.41 3g4s s PHE 98 Cb 0.38 -1.33 -0.01 0.00 0.51 0.00 0.00 43.02 42.57 3g4s s PHE 98 CO 0.11 0.27 0.78 0.34 0.70 0.00 0.00 175.22 177.43 3g4s s ASP 99 N -1.77 5.92 0.53 1.36 3.68 0.79 -4.94 116.67 122.25 3g4s s ASP 99 Ca 0.14 0.67 0.30 0.00 2.13 0.00 0.00 52.55 55.79 3g4s s ASP 99 Cb -0.10 -1.87 1.43 0.00 -1.45 0.00 0.00 42.92 40.93 3g4s s ASP 99 CO 0.05 -0.76 2.03 0.44 0.13 0.00 0.00 175.17 177.06 3g4s h ASP 100 N 0.16 0.00 0.16 -0.34 5.19 -1.95 -1.84 116.42 117.80 3g4s h ASP 100 Ca -0.46 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 3g4s h ASP 100 Cb 1.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.75 3g4s h ASP 100 CO 0.60 0.10 -0.24 0.41 -3.12 0.00 0.00 179.24 176.99 3g4s n THR 101 N -3.38 0.00 -1.26 0.35 -1.04 -1.26 -4.37 114.28 103.32 3g4s n THR 101 Ca -0.01 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 3g4s n THR 101 Cb 0.28 0.55 0.00 0.00 -1.82 0.00 0.00 70.33 69.34 3g4s n THR 101 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3g4s n GLY 102 N 1.33 0.50 3.13 3.41 0.00 -0.69 -4.14 105.19 108.72 3g4s n GLY 102 Ca 0.13 -0.32 -0.16 0.00 0.00 0.00 0.00 46.02 45.67 3g4s n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3g4s s ASN 103 N -2.31 1.31 0.09 1.61 0.02 -1.26 -4.52 114.94 109.88 3g4s s ASN 103 Ca 0.00 -0.63 0.03 0.00 -1.02 0.00 0.00 52.86 51.24 3g4s s ASN 103 Cb 0.00 -0.00 -0.03 0.00 0.02 0.00 0.00 41.25 41.23 3g4s s ASN 103 CO 0.00 -0.16 -0.09 0.72 0.02 0.00 0.00 177.10 177.59 3g4s s PHE 104 N -1.53 0.94 -0.04 2.20 -0.12 -1.26 -0.15 117.98 118.02 3g4s s PHE 104 Ca -0.04 -0.69 -0.01 0.00 -0.05 0.00 0.00 56.93 56.15 3g4s s PHE 104 Cb -0.09 -0.53 0.03 0.00 -0.63 0.00 0.00 43.02 41.80 3g4s s PHE 104 CO 0.01 -0.06 0.02 0.45 -0.05 0.00 0.00 175.22 175.59 3g4s s SER 105 N -2.41 0.84 -0.08 1.98 0.15 -1.26 -3.18 113.70 109.74 3g4s s SER 105 Ca 0.04 -0.01 0.03 0.00 0.70 0.00 0.00 55.95 56.71 3g4s s SER 105 Cb -0.02 -0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.05 3g4s s SER 105 CO -0.01 -0.16 -0.19 0.72 1.20 0.00 0.00 173.24 174.81 3g4s s PHE 106 N 1.50 2.01 -1.20 3.44 -0.71 -0.31 -4.99 117.98 117.73 3g4s s PHE 106 Ca -0.03 -0.76 0.00 0.00 -1.04 0.00 0.00 56.93 55.10 3g4s s PHE 106 Cb -0.13 -1.38 0.00 0.00 -1.21 0.00 0.00 43.02 40.30 3g4s s PHE 106 CO -0.03 -0.32 0.00 0.41 -1.34 0.00 0.00 175.22 173.94 3g4s n GLY 107 N 3.57 -0.66 0.48 1.99 0.00 -1.26 -2.07 105.19 107.24 3g4s n GLY 107 Ca -0.20 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.07 3g4s n GLY 107 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3g4s n LEU 128 N 0.00 0.00 -4.27 0.99 0.00 -1.26 -5.01 117.00 107.44 3g4s n LEU 128 Ca 0.00 0.17 -0.31 0.00 0.00 0.00 0.00 56.01 55.87 3g4s n LEU 128 Cb 0.00 -0.59 -0.16 0.00 0.00 0.00 0.00 43.42 42.67 3g4s n LEU 128 CO 0.00 0.00 -0.56 -1.81 0.00 0.00 0.00 177.39 175.02 3g4s s ASP 129 N -0.84 2.95 -0.08 1.96 1.01 -0.48 -5.01 116.67 116.18 3g4s s ASP 129 Ca 0.00 -0.48 -0.00 0.00 0.71 0.00 0.00 52.55 52.78 3g4s s ASP 129 Cb 0.00 -0.62 0.03 0.00 1.01 0.00 0.00 42.92 43.34 3g4s s ASP 129 CO 0.00 0.26 -0.03 -0.69 0.21 0.00 0.00 175.17 174.92 3g4s s VAL 130 N -0.32 0.62 -0.05 -1.27 1.01 -0.88 -0.90 120.40 118.61 3g4s s VAL 130 Ca 0.02 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 61.96 3g4s s VAL 130 Cb -0.12 -0.70 0.01 0.00 0.00 0.00 0.00 36.38 35.57 3g4s s VAL 130 CO 0.02 0.29 -0.11 -0.89 0.00 0.00 0.00 175.10 174.40 3g4s s THR 131 N 1.63 1.02 -0.07 3.92 2.01 0.65 -1.16 115.64 123.64 3g4s s THR 131 Ca 0.01 -0.44 0.03 0.00 0.31 0.00 0.00 61.69 61.59 3g4s s THR 131 Cb -0.13 -0.93 -0.02 0.00 0.01 0.00 0.00 72.50 71.43 3g4s s THR 131 CO -0.05 0.32 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.36 3g4s s VAL 132 N 0.48 2.95 -0.63 3.82 1.01 -1.19 0.34 120.40 127.19 3g4s s VAL 132 Ca -0.10 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.09 3g4s s VAL 132 Cb -0.13 -2.17 0.16 0.00 0.00 0.00 0.00 36.38 34.24 3g4s s VAL 132 CO 0.02 0.57 0.46 0.21 0.00 0.00 0.00 175.10 176.37 3g4s s ASN 133 N -0.36 5.46 0.28 3.32 3.84 -0.72 -4.03 114.94 122.72 3g4s s ASN 133 Ca 0.04 -2.73 -0.24 0.00 0.21 0.00 0.00 52.86 50.13 3g4s s ASN 133 Cb -0.12 -1.91 -0.09 0.00 -0.55 0.00 0.00 41.25 38.58 3g4s s ASN 133 CO 0.02 -0.42 0.86 -0.76 -2.79 0.00 0.00 177.10 174.01 3g4s s LEU 134 N 0.11 4.37 0.21 3.21 1.43 -1.26 -1.68 118.68 125.07 3g4s s LEU 134 Ca 0.16 1.69 -0.22 0.00 -1.03 0.00 0.00 54.13 54.73 3g4s s LEU 134 Cb -0.19 -3.81 0.05 0.00 0.03 0.00 0.00 46.19 42.27 3g4s s LEU 134 CO -0.04 -0.01 0.66 0.54 0.23 0.00 0.00 176.35 177.73 3g4s s VAL 135 N -1.53 0.00 0.56 -1.59 0.11 0.02 -4.89 120.40 113.07 3g4s s VAL 135 Ca 0.46 -0.42 -0.18 0.00 -2.93 0.00 0.00 61.98 58.91 3g4s s VAL 135 Cb -0.19 -1.42 -0.05 0.00 -1.53 0.00 0.00 36.38 33.19 3g4s s VAL 135 CO 0.23 0.00 1.09 -0.13 -3.33 0.00 0.00 175.10 172.96 3g4s s ARG 136 N -3.80 3.36 0.00 1.54 0.52 -1.26 -1.20 118.95 118.11 3g4s s ARG 136 Ca 0.05 1.44 0.00 0.00 -0.52 0.00 0.00 55.73 56.70 3g4s s ARG 136 Cb -0.03 -2.02 0.00 0.00 0.52 0.00 0.00 34.95 33.42 3g4s s ARG 136 CO -0.05 -0.81 0.00 -2.30 0.02 0.00 0.00 175.30 172.16 3g4s n PRO 137 N -1.54 0.00 -3.05 3.54 -0.02 -1.26 -3.62 135.00 129.05 3g4s n PRO 137 Ca 0.10 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.40 3g4s n PRO 137 Cb 0.52 -0.98 -0.03 0.00 -0.02 0.00 0.00 33.50 32.99 3g4s n PRO 137 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g4s n GLY 138 N -0.26 1.98 0.51 -1.23 0.00 -1.26 -4.90 105.19 100.03 3g4s n GLY 138 Ca 0.00 -1.03 0.05 0.00 0.00 0.00 0.00 46.02 45.05 3g4s n GLY 138 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3g4s n TYR 139 N 1.44 0.25 0.10 1.61 9.36 -1.24 -4.44 117.16 124.25 3g4s n TYR 139 Ca 0.17 -0.29 -0.04 0.00 3.32 0.00 0.00 57.90 61.06 3g4s n TYR 139 Cb 0.57 -0.02 0.11 0.00 -0.63 0.00 0.00 39.34 39.37 3g4s n TYR 139 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 3g4s h ARG 140 N 1.93 0.15 -0.92 2.98 2.43 -1.92 -3.16 114.38 115.87 3g4s h ARG 140 Ca 0.00 -0.12 0.14 0.00 -0.81 0.00 0.00 59.98 59.19 3g4s h ARG 140 Cb 0.59 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.09 3g4s h ARG 140 CO 0.00 0.75 0.59 0.28 -1.51 0.00 0.00 179.97 180.08 3g4s h VAL 141 N 0.11 0.85 0.00 0.20 2.07 -1.90 0.99 116.25 118.57 3g4s h VAL 141 Ca -0.01 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 3g4s h VAL 141 Cb 1.17 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3g4s h VAL 141 CO 0.10 0.14 -1.10 0.00 0.02 0.00 0.00 177.57 176.73 3g4s h ALA 142 N 1.59 0.60 -0.01 1.67 0.00 -1.56 -2.82 119.26 118.72 3g4s h ALA 142 Ca 0.46 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3g4s h ALA 142 Cb 0.66 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3g4s h ALA 142 CO -0.22 0.42 -0.49 1.63 0.00 0.00 0.00 179.25 180.58 3g4s n LYS 143 N -2.82 1.28 -0.53 0.00 4.76 -0.80 -4.84 118.16 115.21 3g4s n LYS 143 Ca -0.04 -0.82 -0.05 0.00 -2.87 0.00 0.00 58.31 54.53 3g4s n LYS 143 Cb 0.68 -1.41 0.04 0.00 -1.84 0.00 0.00 35.03 32.50 3g4s n LYS 143 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 3g4s n ARG 144 N -0.23 -0.06 -0.03 1.97 1.85 0.28 -5.06 116.66 115.37 3g4s n ARG 144 Ca 0.08 -0.43 -0.05 0.00 -1.00 0.00 0.00 57.85 56.45 3g4s n ARG 144 Cb 0.41 -0.23 -0.02 0.00 -1.05 0.00 0.00 32.46 31.58 3g4s n ARG 144 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3g4s n ASP 145 N -3.12 1.50 -4.61 2.89 9.92 -1.26 -4.79 116.55 117.08 3g4s n ASP 145 Ca 0.03 0.23 -0.43 0.00 -0.53 0.00 0.00 54.79 54.10 3g4s n ASP 145 Cb 0.11 -0.55 -0.03 0.00 -0.64 0.00 0.00 41.12 40.02 3g4s n ASP 145 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 3g4s s LYS 146 N -2.44 3.42 -1.16 -1.24 1.02 -1.26 -3.57 119.74 114.51 3g4s s LYS 146 Ca -0.15 1.87 -0.13 0.00 0.02 0.00 0.00 55.97 57.58 3g4s s LYS 146 Cb 0.02 -4.24 -0.02 0.00 -0.52 0.00 0.00 37.83 33.07 3g4s s LYS 146 CO 0.23 -1.76 0.79 0.00 -0.92 0.00 0.00 175.35 173.69 3g4s n ALA 147 N 10.25 -2.41 -1.59 5.17 0.00 -1.26 -4.99 120.51 125.68 3g4s n ALA 147 Ca 0.25 -0.14 -0.33 0.00 0.00 0.00 0.00 53.44 53.22 3g4s n ALA 147 Cb 0.45 -4.00 0.03 0.00 0.00 0.00 0.00 19.45 15.93 3g4s n ALA 147 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3g4s s SER 148 N -3.66 5.40 0.06 0.00 1.04 -1.23 -5.04 113.70 110.26 3g4s s SER 148 Ca 0.36 1.94 -0.16 0.00 0.48 0.00 0.00 55.95 58.58 3g4s s SER 148 Cb -0.11 -2.55 0.03 0.00 0.10 0.00 0.00 66.02 63.50 3g4s s SER 148 CO 0.82 -1.43 0.36 -0.60 0.98 0.00 0.00 173.24 173.38 3g4s s ARG 149 N -4.04 0.89 0.23 4.02 6.06 -1.06 -5.04 118.95 120.01 3g4s s ARG 149 Ca 0.66 -0.48 -0.10 0.00 -2.50 0.00 0.00 55.73 53.31 3g4s s ARG 149 Cb -0.19 0.39 -0.07 0.00 0.06 0.00 0.00 34.95 35.14 3g4s s ARG 149 CO 0.39 -0.30 0.55 0.45 -2.50 0.00 0.00 175.30 173.89 3g4s s SER 150 N -2.16 6.63 -0.10 -2.12 0.15 -1.26 -3.31 113.70 111.53 3g4s s SER 150 Ca -0.04 0.93 -0.30 0.00 0.70 0.00 0.00 55.95 57.25 3g4s s SER 150 Cb -0.00 -2.23 -0.03 0.00 -1.71 0.00 0.00 66.02 62.05 3g4s s SER 150 CO -0.04 -0.08 1.37 -0.63 1.20 0.00 0.00 173.24 175.06 3g4s s ILE 151 N -1.82 4.03 0.89 6.45 -1.09 -1.26 -5.00 121.20 123.40 3g4s s ILE 151 Ca 0.47 1.29 -0.12 0.00 -2.23 0.00 0.00 60.65 60.06 3g4s s ILE 151 Cb -0.11 -3.83 0.08 0.00 -1.58 0.00 0.00 42.46 37.02 3g4s s ILE 151 CO 0.21 -0.08 0.81 -2.65 -1.23 0.00 0.00 174.94 172.00 3g4s n PRO 152 N 6.39 -0.21 0.15 2.79 -0.02 -1.26 -4.74 135.00 138.10 3g4s n PRO 152 Ca 0.14 -0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.74 3g4s n PRO 152 Cb 0.44 -2.14 0.53 0.00 -0.02 0.00 0.00 33.50 32.32 3g4s n PRO 152 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3g4s h THR 153 N -1.44 0.00 0.00 3.45 1.35 -1.95 -1.35 112.91 112.97 3g4s h THR 153 Ca -0.44 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 3g4s h THR 153 Cb 1.29 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 3g4s h THR 153 CO 0.39 0.00 -0.80 0.11 -0.25 0.00 0.00 175.52 174.98 3g4s h LYS 154 N 0.00 0.00 -0.00 4.72 6.56 -2.03 -3.34 116.57 122.48 3g4s h LYS 154 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3g4s h LYS 154 Cb 0.29 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.95 3g4s h LYS 154 CO 0.00 0.00 -0.03 1.58 -2.06 0.00 0.00 179.45 178.94 3g4s n HIS 155 N -2.29 0.00 -2.24 -1.35 -0.00 -0.87 -5.03 115.22 103.44 3g4s n HIS 155 Ca 0.02 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.87 3g4s n HIS 155 Cb 0.48 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.34 3g4s n HIS 155 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 3g4s s ARG 156 N -0.51 3.56 0.04 1.57 1.81 -0.56 -4.86 118.95 120.00 3g4s s ARG 156 Ca 0.04 1.20 -0.31 0.00 -1.72 0.00 0.00 55.73 54.94 3g4s s ARG 156 Cb 0.03 -2.07 -0.06 0.00 -0.45 0.00 0.00 34.95 32.40 3g4s s ARG 156 CO 0.07 -0.61 1.31 -1.17 -0.68 0.00 0.00 175.30 174.21 3g4s s LEU 157 N -4.15 4.34 0.21 2.53 2.96 -1.26 -5.02 118.68 118.30 3g4s s LEU 157 Ca 0.64 2.10 -0.23 0.00 -0.22 0.00 0.00 54.13 56.42 3g4s s LEU 157 Cb -0.15 -3.57 -0.08 0.00 0.50 0.00 0.00 46.19 42.88 3g4s s LEU 157 CO 0.31 -0.60 0.78 0.20 -1.32 0.00 0.00 176.35 175.72 3g4s s ASN 158 N 1.35 7.23 0.25 3.68 -0.87 -1.26 -3.80 114.94 121.53 3g4s s ASN 158 Ca 0.61 1.57 -0.03 0.00 -1.57 0.00 0.00 52.86 53.44 3g4s s ASN 158 Cb -0.31 -2.47 0.41 0.00 -0.02 0.00 0.00 41.25 38.85 3g4s s ASN 158 CO 0.28 0.09 1.83 -0.65 -2.57 0.00 0.00 177.10 176.08 3g4s h PRO 159 N 3.76 0.86 0.00 -0.60 0.11 -1.82 -1.60 132.00 132.72 3g4s h PRO 159 Ca -0.47 -0.05 -0.22 0.00 0.11 0.00 0.00 66.00 65.37 3g4s h PRO 159 Cb 1.20 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 3g4s h PRO 159 CO 0.65 0.57 -0.92 0.00 -0.21 0.00 0.00 178.00 178.09 3g4s h ALA 160 N 1.46 0.41 0.00 -0.75 0.00 -1.94 -2.93 119.26 115.51 3g4s h ALA 160 Ca 0.41 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3g4s h ALA 160 Cb 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3g4s h ALA 160 CO -0.23 0.86 0.00 0.22 0.00 0.00 0.00 179.25 180.09 3g4s h ASP 161 N 0.18 0.00 0.42 0.00 1.82 -1.90 -2.58 116.42 114.36 3g4s h ASP 161 Ca -0.07 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.26 3g4s h ASP 161 Cb 1.56 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.58 3g4s h ASP 161 CO 0.15 0.00 -1.47 0.00 -1.61 0.00 0.00 179.24 176.31 3g4s h ALA 162 N 2.07 0.09 -0.55 -0.78 0.00 -1.25 -3.19 119.26 115.65 3g4s h ALA 162 Ca 0.00 -0.99 -0.10 0.00 0.00 0.00 0.00 54.91 53.82 3g4s h ALA 162 Cb 0.63 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3g4s h ALA 162 CO 0.00 0.96 -0.04 0.28 0.00 0.00 0.00 179.25 180.46 3g4s h VAL 163 N 0.10 1.27 0.00 0.00 2.07 -1.32 -2.94 116.25 115.42 3g4s h VAL 163 Ca -0.23 -1.17 -0.05 0.00 0.82 0.00 0.00 66.70 66.06 3g4s h VAL 163 Cb 2.06 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 3g4s h VAL 163 CO 0.21 0.42 -0.25 0.00 0.02 0.00 0.00 177.57 177.97 3g4s h ALA 164 N 0.95 1.45 -0.09 1.67 0.00 -1.57 -1.61 119.26 120.05 3g4s h ALA 164 Ca 0.15 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 3g4s h ALA 164 Cb 0.59 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.35 3g4s h ALA 164 CO 0.04 0.31 -0.63 0.35 0.00 0.00 0.00 179.25 179.32 3g4s h PHE 165 N 0.00 0.81 -0.01 0.00 3.57 -1.50 -3.02 116.94 116.79 3g4s h PHE 165 Ca -0.00 -0.37 -0.21 0.00 3.53 0.00 0.00 57.97 60.91 3g4s h PHE 165 Cb 0.48 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 3g4s h PHE 165 CO 0.00 1.18 -0.89 0.82 -2.23 0.00 0.00 178.31 177.19 3g4s h ILE 166 N 0.22 1.41 0.00 1.41 2.04 -1.44 -3.09 117.51 118.06 3g4s h ILE 166 Ca -0.05 -2.42 -0.02 0.00 1.00 0.00 0.00 64.86 63.37 3g4s h ILE 166 Cb 1.28 2.37 -0.00 0.00 -0.74 0.00 0.00 36.82 39.72 3g4s h ILE 166 CO 0.13 0.72 -0.11 -0.08 0.00 0.00 0.00 178.15 178.81 3g4s h GLU 167 N 0.22 0.00 0.00 2.37 4.81 -1.37 -1.53 114.58 119.08 3g4s h GLU 167 Ca -0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3g4s h GLU 167 Cb 1.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.89 3g4s h GLU 167 CO 0.15 0.11 0.00 0.45 -0.73 0.00 0.00 179.01 178.99 3g4s n SER 168 N -4.26 0.06 -3.80 1.04 2.88 -1.14 -4.26 113.62 104.14 3g4s n SER 168 Ca -0.03 0.51 -0.30 0.00 -1.33 0.00 0.00 58.87 57.73 3g4s n SER 168 Cb 0.18 -0.52 -0.13 0.00 -0.75 0.00 0.00 64.21 62.98 3g4s n SER 168 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3g4s s THR 169 N -3.02 1.83 -0.35 2.46 2.01 -0.58 -4.94 115.64 113.06 3g4s s THR 169 Ca 0.11 -2.78 0.00 0.00 0.31 0.00 0.00 61.69 59.33 3g4s s THR 169 Cb 0.15 -2.28 0.00 0.00 0.01 0.00 0.00 72.50 70.38 3g4s s THR 169 CO 0.43 -0.85 0.00 -1.22 -0.69 0.00 0.00 174.62 172.30 3g4s n TYR 170 N 3.45 0.00 -3.87 4.92 4.02 -1.26 -4.98 117.16 119.44 3g4s n TYR 170 Ca 0.07 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.86 3g4s n TYR 170 Cb 0.34 -1.88 0.00 0.00 -0.02 0.00 0.00 39.34 37.78 3g4s n TYR 170 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 3g4s s ASP 171 N -2.16 0.15 0.53 7.72 1.47 -1.26 -5.00 116.67 118.12 3g4s s ASP 171 Ca 0.00 -1.15 0.08 0.00 1.18 0.00 0.00 52.55 52.66 3g4s s ASP 171 Cb 0.00 0.80 0.05 0.00 -0.34 0.00 0.00 42.92 43.43 3g4s s ASP 171 CO 0.00 -1.56 0.62 -0.69 0.68 0.00 0.00 175.17 174.21 3g4s s VAL 172 N -2.68 2.15 0.00 2.11 1.01 -1.26 -4.49 120.40 117.24 3g4s s VAL 172 Ca 0.18 -1.18 0.00 0.00 0.00 0.00 0.00 61.98 60.98 3g4s s VAL 172 Cb -0.04 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 34.02 3g4s s VAL 172 CO 0.13 0.00 0.00 -1.84 0.00 0.00 0.00 175.10 173.39 3g4s n GLU 173 N -1.99 0.00 -0.02 2.72 0.28 -1.26 -4.82 120.64 115.54 3g4s n GLU 173 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.09 3g4s n GLU 173 Cb 0.62 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.49 3g4s n GLU 173 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25