#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g6e h THR 2 N 0.00 1.39 -1.06 0.00 2.02 -2.01 -3.50 112.91 109.76 3g6e h THR 2 Ca 0.00 -2.81 0.00 0.00 0.77 0.00 0.00 66.41 64.37 3g6e h THR 2 Cb 0.00 2.90 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 3g6e h THR 2 CO 0.00 0.83 0.00 0.61 0.37 0.00 0.00 175.52 177.33 3g6e n GLY 3 N 1.52 1.38 0.29 2.16 0.00 -1.26 -5.04 105.19 104.24 3g6e n GLY 3 Ca -0.12 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.10 3g6e n GLY 3 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3g6e h PRO 4 N 0.00 0.64 0.00 1.61 0.11 -2.08 -2.97 132.00 129.31 3g6e h PRO 4 Ca 0.00 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 66.01 3g6e h PRO 4 Cb 0.00 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.00 3g6e h PRO 4 CO 0.00 0.55 -0.05 0.54 -0.21 0.00 0.00 178.00 178.83 3g6e n ARG 5 N -4.34 0.18 -1.81 1.05 1.74 -1.26 -4.90 116.66 107.32 3g6e n ARG 5 Ca 0.03 0.14 -0.42 0.00 -0.77 0.00 0.00 57.85 56.83 3g6e n ARG 5 Cb 0.17 -1.70 -0.02 0.00 -1.02 0.00 0.00 32.46 29.89 3g6e n ARG 5 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3g6e s TYR 6 N -3.07 2.81 -0.36 -1.55 5.04 -1.12 -4.98 117.35 114.11 3g6e s TYR 6 Ca 0.11 0.78 -0.08 0.00 -2.44 0.00 0.00 57.07 55.45 3g6e s TYR 6 Cb 0.14 -4.04 0.04 0.00 0.35 0.00 0.00 41.96 38.46 3g6e s TYR 6 CO 0.59 -3.51 0.15 0.21 -1.34 0.00 0.00 175.55 171.65 3g6e s LYS 7 N -0.33 2.64 -0.10 4.97 2.47 -1.26 -4.75 119.74 123.38 3g6e s LYS 7 Ca 0.64 -1.21 -0.21 0.00 -1.56 0.00 0.00 55.97 53.62 3g6e s LYS 7 Cb -0.47 -3.56 -0.04 0.00 -1.46 0.00 0.00 37.83 32.30 3g6e s LYS 7 CO 0.46 -0.72 0.59 0.08 0.16 0.00 0.00 175.35 175.91 3g6e s VAL 8 N 1.43 5.11 1.21 4.02 1.01 -1.26 -5.04 120.40 126.88 3g6e s VAL 8 Ca -0.00 1.18 -0.13 0.00 0.00 0.00 0.00 61.98 63.03 3g6e s VAL 8 Cb -0.20 -3.92 0.30 0.00 0.00 0.00 0.00 36.38 32.56 3g6e s VAL 8 CO 0.03 0.27 0.96 -2.65 0.00 0.00 0.00 175.10 173.71 3g6e n PRO 9 N 3.86 -2.70 -1.84 2.72 -0.02 -1.26 -4.97 135.00 130.79 3g6e n PRO 9 Ca -0.04 -0.76 -0.35 0.00 -2.02 0.00 0.00 63.50 60.33 3g6e n PRO 9 Cb 0.51 -2.12 0.05 0.00 -0.02 0.00 0.00 33.50 31.92 3g6e n PRO 9 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3g6e s MET 10 N -4.34 2.74 0.21 -0.52 -1.94 -1.26 -4.73 119.30 109.46 3g6e s MET 10 Ca 0.68 1.75 -0.10 0.00 -1.71 0.00 0.00 55.69 56.31 3g6e s MET 10 Cb -0.25 -1.91 0.28 0.00 2.01 0.00 0.00 34.83 34.96 3g6e s MET 10 CO 0.66 -1.37 1.72 -0.09 -0.01 0.00 0.00 175.02 175.93 3g6e h ARG 11 N 0.48 0.29 0.00 2.03 2.43 -1.99 0.17 114.38 117.79 3g6e h ARG 11 Ca -0.49 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3g6e h ARG 11 Cb 1.29 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 3g6e h ARG 11 CO 0.54 0.19 0.00 0.54 -1.51 0.00 0.00 179.97 179.73 3g6e n ARG 12 N -5.09 0.40 -0.09 0.20 1.74 -1.26 -1.54 116.66 111.02 3g6e n ARG 12 Ca 0.09 0.06 -0.13 0.00 -0.77 0.00 0.00 57.85 57.09 3g6e n ARG 12 Cb 0.30 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.10 3g6e n ARG 12 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3g6e n ARG 13 N -1.24 0.68 -0.20 5.56 3.00 -0.49 -1.44 116.66 122.53 3g6e n ARG 13 Ca 0.12 0.10 -0.08 0.00 -0.00 0.00 0.00 57.85 58.00 3g6e n ARG 13 Cb 0.17 -1.58 0.06 0.00 0.00 0.00 0.00 32.46 31.11 3g6e n ARG 13 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 3g6e h ARG 14 N 0.01 1.04 -0.00 -0.14 2.43 -0.50 -2.24 114.38 114.98 3g6e h ARG 14 Ca -0.51 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.37 3g6e h ARG 14 Cb 2.11 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 31.55 3g6e h ARG 14 CO 0.01 0.99 -0.01 0.39 -1.51 0.00 0.00 179.97 179.84 3g6e n GLU 15 N -4.20 0.19 -3.58 0.20 1.02 -0.59 -4.92 120.64 108.76 3g6e n GLU 15 Ca 0.04 -0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.96 3g6e n GLU 15 Cb 0.32 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.30 3g6e n GLU 15 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3g6e n ALA 16 N -1.40 -1.76 -0.04 0.62 0.00 -0.84 -4.94 120.51 112.15 3g6e n ALA 16 Ca 0.10 0.07 -0.04 0.00 0.00 0.00 0.00 53.44 53.57 3g6e n ALA 16 Cb 0.30 -3.35 -0.06 0.00 0.00 0.00 0.00 19.45 16.34 3g6e n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3g6e n ARG 17 N -4.45 2.64 -4.71 0.00 1.74 -0.56 -5.02 116.66 106.30 3g6e n ARG 17 Ca -0.18 -0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.62 3g6e n ARG 17 Cb 0.63 -1.19 -0.17 0.00 -1.02 0.00 0.00 32.46 30.71 3g6e n ARG 17 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3g6e s THR 18 N -2.18 1.53 -0.69 0.55 2.01 -0.52 -4.74 115.64 111.60 3g6e s THR 18 Ca -0.04 -0.69 -0.20 0.00 0.31 0.00 0.00 61.69 61.07 3g6e s THR 18 Cb 0.02 -1.37 0.10 0.00 0.01 0.00 0.00 72.50 71.26 3g6e s THR 18 CO 0.30 0.44 0.88 -0.62 -0.69 0.00 0.00 174.62 174.93 3g6e s ASP 19 N 0.70 6.28 0.52 3.53 -1.08 -1.26 -4.53 116.67 120.83 3g6e s ASP 19 Ca -0.13 -1.42 0.25 0.00 -0.52 0.00 0.00 52.55 50.73 3g6e s ASP 19 Cb -0.16 -2.36 1.43 0.00 -1.46 0.00 0.00 42.92 40.36 3g6e s ASP 19 CO 0.03 -1.21 2.08 1.88 0.52 0.00 0.00 175.17 178.47 3g6e h TYR 20 N 9.22 0.00 -0.02 -5.34 -1.99 -1.97 -1.45 116.97 115.41 3g6e h TYR 20 Ca -0.20 0.00 -0.25 0.00 2.00 0.00 0.00 58.73 60.29 3g6e h TYR 20 Cb 1.07 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.81 3g6e h TYR 20 CO 0.95 0.11 -0.97 0.45 -0.00 0.00 0.00 178.16 178.71 3g6e h HIS 21 N 0.00 0.91 -0.01 4.88 3.86 -2.01 -2.81 115.15 119.97 3g6e h HIS 21 Ca -0.00 -0.48 -0.16 0.00 -1.16 0.00 0.00 60.37 58.57 3g6e h HIS 21 Cb 0.28 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.63 3g6e h HIS 21 CO 0.00 1.31 -0.75 0.37 0.86 0.00 0.00 177.93 179.72 3g6e h GLN 22 N 0.36 0.06 -0.71 2.45 4.15 -1.94 -3.14 115.11 116.35 3g6e h GLN 22 Ca -0.10 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.21 3g6e h GLN 22 Cb 1.61 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 29.29 3g6e h GLN 22 CO 0.18 0.78 0.23 -0.09 -1.93 0.00 0.00 178.83 178.01 3g6e h ARG 23 N 0.04 1.09 -0.23 1.69 2.43 -1.23 -1.33 114.38 116.83 3g6e h ARG 23 Ca -0.01 -0.23 -0.03 0.00 -0.81 0.00 0.00 59.98 58.90 3g6e h ARG 23 Cb 1.32 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 3g6e h ARG 23 CO 0.10 0.93 0.02 1.25 -1.51 0.00 0.00 179.97 180.77 3g6e h LEU 24 N 1.04 0.38 -1.81 3.80 5.85 -1.45 0.21 115.31 123.32 3g6e h LEU 24 Ca 0.23 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 3g6e h LEU 24 Cb 0.29 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 3g6e h LEU 24 CO -0.01 0.57 -0.14 0.03 -0.34 0.00 0.00 178.44 178.55 3g6e h ARG 25 N 0.19 0.00 0.00 1.25 3.08 -1.48 -1.49 114.38 115.93 3g6e h ARG 25 Ca 0.07 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.02 3g6e h ARG 25 Cb 0.36 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.42 3g6e h ARG 25 CO 0.01 0.14 -0.38 1.25 -1.07 0.00 0.00 179.97 179.91 3g6e h LEU 26 N 0.00 0.33 -0.46 3.04 5.85 -0.88 -3.26 115.31 119.94 3g6e h LEU 26 Ca -0.00 -0.78 0.00 0.00 0.84 0.00 0.00 57.88 57.94 3g6e h LEU 26 Cb 0.28 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.20 3g6e h LEU 26 CO 0.02 1.07 0.00 0.18 -0.34 0.00 0.00 178.44 179.37 3g6e n LEU 27 N -4.40 0.47 0.27 2.25 4.77 0.03 -3.13 117.00 117.26 3g6e n LEU 27 Ca -0.10 0.61 0.15 0.00 -0.03 0.00 0.00 56.01 56.64 3g6e n LEU 27 Cb 0.57 -0.54 0.69 0.00 -2.33 0.00 0.00 43.42 41.81 3g6e n LEU 27 CO 0.42 -0.44 0.96 0.11 -1.33 0.00 0.00 177.39 177.10 3g6e h LYS 28 N 0.00 0.00 -0.10 3.23 1.57 -1.33 -3.11 116.57 116.83 3g6e h LYS 28 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 3g6e h LYS 28 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3g6e h LYS 28 CO 0.00 0.08 -0.49 0.66 -0.57 0.00 0.00 179.45 179.13 3g6e h SER 29 N 0.00 0.29 0.00 0.86 4.64 -1.74 -3.47 113.55 114.13 3g6e h SER 29 Ca -0.00 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3g6e h SER 29 Cb 0.49 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3g6e h SER 29 CO 0.01 0.73 0.00 0.61 -0.87 0.00 0.00 176.83 177.31 3g6e n GLY 30 N 0.01 1.89 3.87 -0.77 0.00 -1.18 -5.04 105.19 103.97 3g6e n GLY 30 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 3g6e n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g6e s LYS 31 N -0.46 3.85 0.59 1.61 1.02 -1.26 -5.06 119.74 120.03 3g6e s LYS 31 Ca 0.00 0.49 -0.19 0.00 0.02 0.00 0.00 55.97 56.29 3g6e s LYS 31 Cb 0.00 -2.45 -0.04 0.00 -0.52 0.00 0.00 37.83 34.82 3g6e s LYS 31 CO 0.00 0.09 1.18 -2.14 -0.92 0.00 0.00 175.35 173.56 3g6e s PRO 32 N -3.42 3.03 0.02 -1.68 0.02 -1.26 -4.72 135.00 127.00 3g6e s PRO 32 Ca 0.51 1.74 -0.20 0.00 0.02 0.00 0.00 61.00 63.07 3g6e s PRO 32 Cb -0.10 -1.95 -0.06 0.00 0.02 0.00 0.00 34.50 32.41 3g6e s PRO 32 CO 0.25 -1.13 0.59 1.03 -0.33 0.00 0.00 177.00 177.41 3g6e s ARG 33 N -3.39 4.29 -0.83 5.54 0.52 0.96 -1.24 118.95 124.80 3g6e s ARG 33 Ca 0.75 0.74 -0.16 0.00 -0.52 0.00 0.00 55.73 56.54 3g6e s ARG 33 Cb -0.28 -3.31 0.18 0.00 0.52 0.00 0.00 34.95 32.06 3g6e s ARG 33 CO 0.32 0.45 0.87 -1.17 0.02 0.00 0.00 175.30 175.80 3g6e s LEU 34 N -0.48 6.08 -0.48 2.53 2.96 -0.11 -0.61 118.68 128.58 3g6e s LEU 34 Ca 0.30 -2.35 -0.28 0.00 -0.22 0.00 0.00 54.13 51.58 3g6e s LEU 34 Cb -0.19 -2.28 0.01 0.00 0.50 0.00 0.00 46.19 44.23 3g6e s LEU 34 CO 0.18 -0.78 1.46 -0.69 -1.32 0.00 0.00 176.35 175.19 3g6e s VAL 35 N 1.22 3.80 -0.48 1.68 1.01 0.38 -1.12 120.40 126.89 3g6e s VAL 35 Ca 0.22 0.75 -0.11 0.00 0.00 0.00 0.00 61.98 62.83 3g6e s VAL 35 Cb -0.10 -4.26 0.11 0.00 0.00 0.00 0.00 36.38 32.13 3g6e s VAL 35 CO -0.08 -0.93 0.37 0.00 0.00 0.00 0.00 175.10 174.47 3g6e s ALA 36 N 5.98 3.45 0.13 5.51 0.00 -0.44 -1.05 121.76 135.33 3g6e s ALA 36 Ca 0.59 -2.43 0.09 0.00 0.00 0.00 0.00 51.96 50.20 3g6e s ALA 36 Cb -0.13 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 3g6e s ALA 36 CO 0.29 -1.87 -0.16 1.03 0.00 0.00 0.00 175.76 175.05 3g6e s ARG 37 N 1.45 1.87 0.36 0.00 1.81 -0.85 -4.59 118.95 119.00 3g6e s ARG 37 Ca 0.04 -1.19 0.08 0.00 -1.72 0.00 0.00 55.73 52.95 3g6e s ARG 37 Cb -0.26 -2.14 -0.07 0.00 -0.45 0.00 0.00 34.95 32.03 3g6e s ARG 37 CO 0.01 0.47 -0.04 0.15 -0.68 0.00 0.00 175.30 175.21 3g6e s LYS 38 N -2.29 1.85 0.21 3.54 1.02 -1.26 -0.89 119.74 121.91 3g6e s LYS 38 Ca 0.20 -1.99 -0.09 0.00 0.02 0.00 0.00 55.97 54.11 3g6e s LYS 38 Cb -0.10 -1.59 -0.01 0.00 -0.52 0.00 0.00 37.83 35.60 3g6e s LYS 38 CO 0.11 0.04 0.33 0.45 -0.92 0.00 0.00 175.35 175.36 3g6e s SER 39 N -3.63 0.01 0.19 2.83 0.15 -0.29 -4.93 113.70 108.04 3g6e s SER 39 Ca 0.33 -1.01 -0.10 0.00 0.70 0.00 0.00 55.95 55.87 3g6e s SER 39 Cb 0.06 0.49 0.11 0.00 -1.71 0.00 0.00 66.02 64.96 3g6e s SER 39 CO 0.17 -0.98 1.74 0.78 1.20 0.00 0.00 173.24 176.14 3g6e h ASN 40 N 2.44 0.96 0.00 5.45 2.35 -2.00 -3.32 115.58 121.46 3g6e h ASN 40 Ca -0.30 -0.18 -0.26 0.00 -0.55 0.00 0.00 56.30 55.00 3g6e h ASN 40 Cb 1.24 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 39.31 3g6e h ASN 40 CO 0.44 0.89 -2.13 0.29 -1.65 0.00 0.00 177.43 175.27 3g6e n LYS 41 N -4.36 1.07 -4.64 0.81 5.02 -1.26 -4.72 118.16 110.08 3g6e n LYS 41 Ca 0.05 -0.04 -0.29 0.00 -2.02 0.00 0.00 58.31 56.02 3g6e n LYS 41 Cb 0.19 -1.44 -0.09 0.00 -0.02 0.00 0.00 35.03 33.66 3g6e n LYS 41 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3g6e s HIS 42 N -2.57 2.13 -0.03 2.13 3.76 -1.25 -1.82 115.29 117.64 3g6e s HIS 42 Ca -0.08 -0.88 -0.00 0.00 -0.15 0.00 0.00 55.06 53.95 3g6e s HIS 42 Cb 0.06 -1.59 0.03 0.00 1.11 0.00 0.00 32.58 32.19 3g6e s HIS 42 CO 0.72 0.24 0.02 0.08 -0.85 0.00 0.00 174.74 174.94 3g6e s VAL 43 N -2.90 0.07 0.07 -0.90 1.01 -1.25 -1.13 120.40 115.36 3g6e s VAL 43 Ca 0.23 0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.44 3g6e s VAL 43 Cb 0.06 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.20 3g6e s VAL 43 CO 0.12 0.13 -0.10 -0.60 0.00 0.00 0.00 175.10 174.65 3g6e s ARG 44 N 1.21 2.25 -0.22 2.72 6.06 -0.07 -1.18 118.95 129.73 3g6e s ARG 44 Ca -0.07 -0.93 -0.03 0.00 -2.50 0.00 0.00 55.73 52.20 3g6e s ARG 44 Cb -0.13 -2.35 0.11 0.00 0.06 0.00 0.00 34.95 32.64 3g6e s ARG 44 CO -0.02 0.54 0.29 0.00 -2.50 0.00 0.00 175.30 173.60 3g6e s ALA 45 N -1.12 -0.60 0.15 6.12 0.00 -0.12 -2.00 121.76 124.19 3g6e s ALA 45 Ca 0.20 0.47 0.09 0.00 0.00 0.00 0.00 51.96 52.72 3g6e s ALA 45 Cb -0.11 -1.49 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 3g6e s ALA 45 CO 0.11 -1.26 -0.14 -0.65 0.00 0.00 0.00 175.76 173.82 3g6e s GLN 46 N 2.41 1.90 -0.51 0.00 -0.21 -0.21 -1.20 119.66 121.83 3g6e s GLN 46 Ca 0.09 -1.25 -0.02 0.00 0.02 0.00 0.00 55.36 54.20 3g6e s GLN 46 Cb -0.16 -2.12 0.13 0.00 1.00 0.00 0.00 33.01 31.87 3g6e s GLN 46 CO -0.15 0.45 0.31 -0.51 -2.12 0.00 0.00 175.29 173.28 3g6e s LEU 47 N -2.51 5.19 -0.18 2.90 2.01 0.22 -0.47 118.68 125.85 3g6e s LEU 47 Ca 0.22 -2.46 -0.09 0.00 0.01 0.00 0.00 54.13 51.81 3g6e s LEU 47 Cb -0.09 -1.83 -0.05 0.00 0.01 0.00 0.00 46.19 44.23 3g6e s LEU 47 CO 0.13 -0.45 0.13 -0.69 1.01 0.00 0.00 176.35 176.48 3g6e s VAL 48 N 0.52 5.44 0.37 -1.59 1.01 0.22 -0.81 120.40 125.56 3g6e s VAL 48 Ca 0.13 0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.38 3g6e s VAL 48 Cb -0.22 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 3g6e s VAL 48 CO -0.04 0.50 0.09 0.28 0.00 0.00 0.00 175.10 175.93 3g6e s THR 49 N -0.07 2.56 -0.05 3.92 -1.32 0.75 -0.03 115.64 121.40 3g6e s THR 49 Ca 0.10 -1.83 -0.21 0.00 -1.21 0.00 0.00 61.69 58.54 3g6e s THR 49 Cb -0.11 -2.91 -0.05 0.00 -1.51 0.00 0.00 72.50 67.92 3g6e s THR 49 CO -0.00 -0.12 0.59 -0.22 -2.21 0.00 0.00 174.62 172.66 3g6e s LEU 50 N -3.80 4.35 0.24 9.08 2.96 -1.26 -1.00 118.68 129.25 3g6e s LEU 50 Ca 0.37 1.07 0.06 0.00 -0.22 0.00 0.00 54.13 55.42 3g6e s LEU 50 Cb 0.01 -2.90 -0.05 0.00 0.50 0.00 0.00 46.19 43.75 3g6e s LEU 50 CO 0.21 0.02 -0.06 -0.83 -1.32 0.00 0.00 176.35 174.36 3g6e s GLY 51 N 0.29 1.63 0.31 7.98 0.00 -1.06 -4.81 107.32 111.65 3g6e s GLY 51 Ca 0.31 -1.79 -0.01 0.00 0.00 0.00 0.00 44.72 43.23 3g6e s GLY 51 CO 0.16 -1.77 1.97 -2.55 0.00 0.00 0.00 173.10 170.91 3g6e h PRO 52 N 2.41 1.04 -0.12 2.90 0.11 -1.98 -3.09 132.00 133.27 3g6e h PRO 52 Ca -0.39 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3g6e h PRO 52 Cb 1.23 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3g6e h PRO 52 CO 0.65 0.69 0.00 0.09 -0.21 0.00 0.00 178.00 179.22 3g6e n ASN 53 N -4.41 2.34 0.00 -2.05 3.02 -1.26 -5.07 115.26 107.83 3g6e n ASN 53 Ca 0.09 -1.66 0.00 0.00 -0.03 0.00 0.00 54.58 52.98 3g6e n ASN 53 Cb 0.03 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 3g6e n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3g6e n GLY 54 N 0.72 0.56 3.77 7.41 0.00 -1.17 -5.13 105.19 111.35 3g6e n GLY 54 Ca 0.09 -1.58 -0.40 0.00 0.00 0.00 0.00 46.02 44.14 3g6e n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3g6e s ASP 55 N 0.00 6.29 -0.20 1.61 1.01 -1.26 -2.58 116.67 121.54 3g6e s ASP 55 Ca 0.00 2.72 -0.02 0.00 0.71 0.00 0.00 52.55 55.96 3g6e s ASP 55 Cb 0.00 -2.64 -0.00 0.00 1.01 0.00 0.00 42.92 41.28 3g6e s ASP 55 CO 0.00 -0.87 -0.09 -1.81 0.21 0.00 0.00 175.17 172.61 3g6e s ASP 56 N -0.64 3.99 -0.25 0.27 1.01 -0.17 -4.85 116.67 116.02 3g6e s ASP 56 Ca 0.56 -0.45 -0.19 0.00 0.71 0.00 0.00 52.55 53.18 3g6e s ASP 56 Cb -0.40 -1.67 -0.02 0.00 1.01 0.00 0.00 42.92 41.85 3g6e s ASP 56 CO 0.51 -0.00 0.57 -0.89 0.21 0.00 0.00 175.17 175.57 3g6e s THR 57 N 1.35 5.03 -0.08 -1.27 2.01 -1.26 -0.18 115.64 121.24 3g6e s THR 57 Ca 0.04 1.00 0.08 0.00 0.31 0.00 0.00 61.69 63.12 3g6e s THR 57 Cb -0.14 -3.88 -0.24 0.00 0.01 0.00 0.00 72.50 68.26 3g6e s THR 57 CO -0.05 0.06 0.53 0.18 -0.69 0.00 0.00 174.62 174.66 3g6e n LEU 58 N 5.58 1.27 -3.65 4.42 4.32 0.01 -4.93 117.00 124.01 3g6e n LEU 58 Ca -0.03 0.33 -0.04 0.00 -0.02 0.00 0.00 56.01 56.25 3g6e n LEU 58 Cb 0.49 -0.13 -0.06 0.00 -1.62 0.00 0.00 43.42 42.10 3g6e n LEU 58 CO 0.42 0.52 0.19 0.00 -1.22 0.00 0.00 177.39 177.29 3g6e s ALA 59 N -2.58 -1.75 0.43 -1.18 0.00 -1.24 -4.94 121.76 110.51 3g6e s ALA 59 Ca -0.10 2.08 0.06 0.00 0.00 0.00 0.00 51.96 54.00 3g6e s ALA 59 Cb 0.08 -1.61 -0.06 0.00 0.00 0.00 0.00 23.12 21.53 3g6e s ALA 59 CO 0.81 -0.84 0.03 -1.54 0.00 0.00 0.00 175.76 174.22 3g6e s SER 60 N 2.72 3.99 -0.30 0.00 1.04 -1.26 -0.61 113.70 119.28 3g6e s SER 60 Ca -0.05 -1.40 -0.14 0.00 0.48 0.00 0.00 55.95 54.85 3g6e s SER 60 Cb -0.12 -0.22 0.14 0.00 0.10 0.00 0.00 66.02 65.93 3g6e s SER 60 CO -0.17 -0.54 0.86 0.00 0.98 0.00 0.00 173.24 174.36 3g6e s ALA 61 N -2.73 -2.36 0.22 5.32 0.00 -0.34 -4.66 121.76 117.20 3g6e s ALA 61 Ca 0.30 2.20 0.07 0.00 0.00 0.00 0.00 51.96 54.53 3g6e s ALA 61 Cb 0.08 -1.86 -0.04 0.00 0.00 0.00 0.00 23.12 21.30 3g6e s ALA 61 CO 0.16 -0.80 0.12 -1.58 0.00 0.00 0.00 175.76 173.66 3g6e s HIS 62 N 2.33 3.01 -1.48 0.00 2.46 -1.26 -0.95 115.29 119.40 3g6e s HIS 62 Ca -0.05 -0.11 0.25 0.00 0.47 0.00 0.00 55.06 55.62 3g6e s HIS 62 Cb -0.07 -1.39 1.29 0.00 -0.13 0.00 0.00 32.58 32.27 3g6e s HIS 62 CO -0.18 0.54 1.84 -1.13 -2.47 0.00 0.00 174.74 173.34 3g6e n SER 63 N -0.76 0.00 0.09 9.88 3.41 -0.32 -2.99 113.62 122.93 3g6e n SER 63 Ca -0.08 -0.13 -0.14 0.00 -0.26 0.00 0.00 58.87 58.26 3g6e n SER 63 Cb 0.57 -0.26 -0.11 0.00 -0.26 0.00 0.00 64.21 64.15 3g6e n SER 63 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3g6e h SER 64 N 0.00 0.40 -0.25 4.04 4.64 -1.94 -3.18 113.55 117.27 3g6e h SER 64 Ca 0.00 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3g6e h SER 64 Cb 0.22 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3g6e h SER 64 CO 0.00 1.28 0.00 -0.90 -0.87 0.00 0.00 176.83 176.34 3g6e n ASP 65 N -3.58 3.06 0.00 4.97 5.75 -1.16 -3.54 116.55 122.06 3g6e n ASP 65 Ca -0.07 -2.40 -0.11 0.00 -0.01 0.00 0.00 54.79 52.20 3g6e n ASP 65 Cb 0.96 -0.58 -0.14 0.00 -1.03 0.00 0.00 41.12 40.34 3g6e n ASP 65 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 3g6e h LEU 66 N 1.76 0.10 -2.37 -2.12 5.85 -1.68 -3.32 115.31 113.53 3g6e h LEU 66 Ca 0.00 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 3g6e h LEU 66 Cb 1.14 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.13 3g6e h LEU 66 CO 0.21 1.17 -0.02 0.00 -0.34 0.00 0.00 178.44 179.46 3g6e h ALA 67 N 0.82 1.07 0.00 1.25 0.00 -1.76 -2.03 119.26 118.61 3g6e h ALA 67 Ca -0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3g6e h ALA 67 Cb 1.98 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.77 3g6e h ALA 67 CO 0.10 0.02 0.00 1.49 0.00 0.00 0.00 179.25 180.86 3g6e h GLU 68 N 0.00 0.00 -0.01 0.00 4.81 -1.80 -2.41 114.58 115.17 3g6e h GLU 68 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3g6e h GLU 68 Cb 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.58 3g6e h GLU 68 CO 0.00 0.00 -0.28 0.66 -0.73 0.00 0.00 179.01 178.66 3g6e n TYR 69 N -3.01 0.00 0.00 0.92 4.02 -0.76 -5.00 117.16 113.33 3g6e n TYR 69 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 3g6e n TYR 69 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.51 3g6e n TYR 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3g6e n GLY 70 N 1.03 0.92 3.15 2.72 0.00 -0.91 -5.05 105.19 107.05 3g6e n GLY 70 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 3g6e n GLY 70 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3g6e s TRP 71 N -1.08 3.52 -2.48 1.61 -0.11 -1.25 -4.91 118.94 114.24 3g6e s TRP 71 Ca 0.00 -2.24 0.23 0.00 1.22 0.00 0.00 56.10 55.32 3g6e s TRP 71 Cb 0.00 -3.11 0.68 0.00 -1.50 0.00 0.00 33.47 29.54 3g6e s TRP 71 CO 0.00 -0.95 1.52 -1.91 -4.62 0.00 0.00 176.95 171.00 3g6e n GLU 72 N 4.65 1.96 -3.07 5.86 2.13 -1.26 -4.42 120.64 126.49 3g6e n GLU 72 Ca -0.04 -1.42 -0.21 0.00 0.66 0.00 0.00 57.16 56.14 3g6e n GLU 72 Cb 0.42 -1.45 0.01 0.00 0.27 0.00 0.00 31.44 30.69 3g6e n GLU 72 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3g6e s ALA 73 N -1.81 4.00 0.93 4.31 0.00 -1.26 -4.93 121.76 123.00 3g6e s ALA 73 Ca 0.34 -1.29 -0.10 0.00 0.00 0.00 0.00 51.96 50.91 3g6e s ALA 73 Cb 0.20 -1.94 0.15 0.00 0.00 0.00 0.00 23.12 21.52 3g6e s ALA 73 CO 0.30 -0.33 1.10 -2.30 0.00 0.00 0.00 175.76 174.52 3g6e n PRO 74 N -1.97 -0.52 -0.04 0.00 -0.02 -1.26 -5.01 135.00 126.18 3g6e n PRO 74 Ca 0.03 -0.09 0.07 0.00 -2.02 0.00 0.00 63.50 61.49 3g6e n PRO 74 Cb 0.58 -2.34 0.08 0.00 -0.02 0.00 0.00 33.50 31.81 3g6e n PRO 74 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3g6e n THR 75 N -4.25 0.18 -2.10 3.45 -2.24 -1.26 -4.67 114.28 103.39 3g6e n THR 75 Ca 0.11 -0.59 -0.27 0.00 -2.27 0.00 0.00 64.05 61.03 3g6e n THR 75 Cb 0.52 1.15 0.02 0.00 -2.10 0.00 0.00 70.33 69.92 3g6e n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3g6e n GLY 76 N 0.80 6.16 3.07 3.38 0.00 -0.76 -3.92 105.19 113.91 3g6e n GLY 76 Ca 0.10 -2.65 -0.24 0.00 0.00 0.00 0.00 46.02 43.22 3g6e n GLY 76 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3g6e n ASN 77 N -0.64 1.48 -0.23 1.61 0.23 -1.26 -4.95 115.26 111.50 3g6e n ASN 77 Ca 0.45 -2.97 -0.06 0.00 -0.53 0.00 0.00 54.58 51.47 3g6e n ASN 77 Cb 0.78 0.85 0.04 0.00 -2.08 0.00 0.00 39.78 39.37 3g6e n ASN 77 CO 0.00 0.00 0.00 0.24 -0.93 0.00 0.00 177.26 176.57 3g6e h MET 78 N 0.00 0.90 -0.20 -3.83 2.86 -1.91 -1.62 114.93 111.13 3g6e h MET 78 Ca -0.30 -0.10 -0.12 0.00 -2.06 0.00 0.00 59.70 57.12 3g6e h MET 78 Cb 1.11 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.58 3g6e h MET 78 CO 0.48 0.68 -0.38 -1.35 1.06 0.00 0.00 176.91 177.40 3g6e h PRO 79 N 0.88 0.45 -0.37 -0.22 0.11 -1.82 -2.90 132.00 128.13 3g6e h PRO 79 Ca 0.23 -0.22 -0.03 0.00 0.11 0.00 0.00 66.00 66.09 3g6e h PRO 79 Cb 0.04 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 3g6e h PRO 79 CO -0.04 0.77 0.11 1.03 -0.21 0.00 0.00 178.00 179.66 3g6e h SER 80 N 0.38 0.55 -0.46 -2.05 0.87 -1.84 -2.76 113.55 108.24 3g6e h SER 80 Ca 0.04 -0.22 0.03 0.00 -1.23 0.00 0.00 61.79 60.41 3g6e h SER 80 Cb 0.84 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.62 3g6e h SER 80 CO 0.07 0.63 0.25 0.00 -0.53 0.00 0.00 176.83 177.24 3g6e h ALA 81 N 0.95 0.58 0.20 6.23 0.00 -1.19 -0.37 119.26 125.66 3g6e h ALA 81 Ca 0.12 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3g6e h ALA 81 Cb 0.28 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3g6e h ALA 81 CO -0.00 -0.09 -0.09 -0.92 0.00 0.00 0.00 179.25 178.15 3g6e h TYR 82 N 0.49 -0.24 0.00 0.00 3.20 -1.49 -2.32 116.97 116.61 3g6e h TYR 82 Ca 0.19 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 3g6e h TYR 82 Cb 0.07 0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.42 3g6e h TYR 82 CO -0.09 -0.08 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.17 3g6e h LEU 83 N -0.35 0.00 -0.34 2.82 3.38 -1.24 0.26 115.31 119.83 3g6e h LEU 83 Ca -0.03 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.75 3g6e h LEU 83 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3g6e h LEU 83 CO 0.04 0.11 -0.82 0.74 0.09 0.00 0.00 178.44 178.61 3g6e h THR 84 N 0.00 1.43 -0.16 0.22 2.02 -0.92 -1.61 112.91 113.89 3g6e h THR 84 Ca -0.00 -2.38 -0.21 0.00 0.77 0.00 0.00 66.41 64.59 3g6e h THR 84 Cb 0.22 2.31 0.01 0.00 -1.74 0.00 0.00 68.15 68.94 3g6e h THR 84 CO 0.01 0.70 -0.73 1.23 0.37 0.00 0.00 175.52 177.11 3g6e h GLY 85 N 1.54 0.79 1.33 2.16 0.00 -0.75 -2.01 103.07 106.13 3g6e h GLY 85 Ca -0.04 -1.08 -0.10 0.00 0.00 0.00 0.00 47.33 46.11 3g6e h GLY 85 CO 0.13 0.96 -0.16 -2.00 0.00 0.00 0.00 176.54 175.48 3g6e h LEU 86 N 0.50 0.78 -0.55 3.11 5.85 -0.94 0.49 115.31 124.55 3g6e h LEU 86 Ca -0.04 -0.25 -0.14 0.00 0.84 0.00 0.00 57.88 58.29 3g6e h LEU 86 Cb 1.34 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 3g6e h LEU 86 CO 0.15 0.94 -0.39 0.25 -0.34 0.00 0.00 178.44 179.05 3g6e h LEU 87 N 0.70 0.78 -0.34 2.25 5.85 -1.25 -1.53 115.31 121.76 3g6e h LEU 87 Ca 0.11 -0.35 -0.18 0.00 0.84 0.00 0.00 57.88 58.30 3g6e h LEU 87 Cb 0.65 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 3g6e h LEU 87 CO 0.05 1.08 -0.48 0.00 -0.34 0.00 0.00 178.44 178.74 3g6e h ALA 88 N 0.96 0.52 -0.35 1.25 0.00 -1.08 -2.68 119.26 117.87 3g6e h ALA 88 Ca 0.05 -0.49 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 3g6e h ALA 88 Cb 0.93 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3g6e h ALA 88 CO 0.08 0.68 -0.19 0.78 0.00 0.00 0.00 179.25 180.60 3g6e h GLY 89 N 0.73 0.71 1.43 0.00 0.00 -0.76 -1.94 103.07 103.24 3g6e h GLY 89 Ca 0.03 -0.57 -0.19 0.00 0.00 0.00 0.00 47.33 46.60 3g6e h GLY 89 CO 0.11 0.52 -0.70 1.41 0.00 0.00 0.00 176.54 177.89 3g6e h LEU 90 N 0.59 0.67 -1.20 3.11 3.38 -1.26 -2.24 115.31 118.35 3g6e h LEU 90 Ca 0.09 -0.42 -0.08 0.00 0.09 0.00 0.00 57.88 57.57 3g6e h LEU 90 Cb 0.66 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3g6e h LEU 90 CO 0.05 1.17 -0.37 0.03 0.09 0.00 0.00 178.44 179.41 3g6e h ARG 91 N 0.40 0.00 -0.22 1.13 3.08 -1.38 -2.73 114.38 114.66 3g6e h ARG 91 Ca -0.03 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.83 3g6e h ARG 91 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.34 3g6e h ARG 91 CO 0.13 0.37 -0.63 0.00 -1.07 0.00 0.00 179.97 178.77 3g6e h ALA 92 N 1.63 0.45 0.00 0.04 0.00 -1.18 -2.70 119.26 117.50 3g6e h ALA 92 Ca -0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 54.91 54.31 3g6e h ALA 92 Cb 0.73 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3g6e h ALA 92 CO 0.05 0.69 -0.26 1.96 0.00 0.00 0.00 179.25 181.69 3g6e h GLN 93 N 0.58 0.00 0.00 0.00 1.08 -1.10 -0.97 115.11 114.70 3g6e h GLN 93 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3g6e h GLN 93 Cb 1.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.67 3g6e h GLN 93 CO 0.13 0.26 -0.10 0.93 -0.95 0.00 0.00 178.83 179.10 3g6e h GLU 94 N 0.00 0.00 0.00 1.46 4.39 -1.40 -3.19 114.58 115.84 3g6e h GLU 94 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3g6e h GLU 94 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 3g6e h GLU 94 CO 0.03 0.00 -0.65 0.00 -1.16 0.00 0.00 179.01 177.23 3g6e n ALA 95 N -2.05 3.25 0.00 3.43 0.00 -0.74 -4.96 120.51 119.45 3g6e n ALA 95 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3g6e n ALA 95 Cb 0.51 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.85 3g6e n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g6e n GLY 96 N 1.41 0.59 3.67 0.00 0.00 -0.89 -5.07 105.19 104.89 3g6e n GLY 96 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 3g6e n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g6e s VAL 97 N -2.00 4.40 -0.13 1.61 1.01 -0.45 -4.92 120.40 119.93 3g6e s VAL 97 Ca 0.00 1.70 0.11 0.00 0.00 0.00 0.00 61.98 63.79 3g6e s VAL 97 Cb 0.00 -4.10 -0.15 0.00 0.00 0.00 0.00 36.38 32.13 3g6e s VAL 97 CO 0.00 -0.11 0.03 -0.62 0.00 0.00 0.00 175.10 174.40 3g6e n GLU 98 N 6.16 1.81 -4.08 2.72 1.02 -1.26 -3.98 120.64 123.03 3g6e n GLU 98 Ca 0.13 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.15 3g6e n GLU 98 Cb 0.46 -1.33 -0.11 0.00 -0.02 0.00 0.00 31.44 30.44 3g6e n GLU 98 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 3g6e s GLU 99 N -2.31 0.59 0.23 3.49 -1.05 -1.26 -1.73 118.70 116.65 3g6e s GLU 99 Ca -0.07 -0.90 -0.14 0.00 -0.15 0.00 0.00 54.97 53.70 3g6e s GLU 99 Cb 0.04 -0.23 0.00 0.00 -0.44 0.00 0.00 34.13 33.51 3g6e s GLU 99 CO 0.51 0.02 0.48 0.00 0.95 0.00 0.00 175.26 177.22 3g6e s ALA 100 N -2.02 -0.43 -0.08 -0.84 0.00 -0.93 -4.04 121.76 113.43 3g6e s ALA 100 Ca -0.05 -0.70 0.03 0.00 0.00 0.00 0.00 51.96 51.24 3g6e s ALA 100 Cb -0.06 0.98 0.01 0.00 0.00 0.00 0.00 23.12 24.05 3g6e s ALA 100 CO -0.01 -0.83 -0.15 0.08 0.00 0.00 0.00 175.76 174.85 3g6e s VAL 101 N -3.97 1.34 -0.10 0.00 1.01 -0.37 -3.99 120.40 114.30 3g6e s VAL 101 Ca 0.18 -0.59 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 3g6e s VAL 101 Cb -0.01 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 3g6e s VAL 101 CO 0.05 0.40 1.53 -0.22 0.00 0.00 0.00 175.10 176.86 3g6e s LEU 102 N 0.64 4.24 -0.23 3.92 2.96 -1.26 -0.93 118.68 128.01 3g6e s LEU 102 Ca -0.15 2.01 -0.06 0.00 -0.22 0.00 0.00 54.13 55.71 3g6e s LEU 102 Cb -0.16 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 42.97 3g6e s LEU 102 CO 0.04 -0.91 0.03 -0.62 -1.32 0.00 0.00 176.35 173.57 3g6e s ASP 103 N 3.00 4.86 0.00 3.68 -1.08 -0.28 -4.90 116.67 121.96 3g6e s ASP 103 Ca 0.67 -0.25 0.15 0.00 -0.52 0.00 0.00 52.55 52.60 3g6e s ASP 103 Cb -0.29 -1.86 0.07 0.00 -1.46 0.00 0.00 42.92 39.38 3g6e s ASP 103 CO 0.25 -0.01 0.89 2.30 0.52 0.00 0.00 175.17 179.12 3g6e n ILE 104 N 4.76 0.00 0.00 4.11 -5.35 -1.26 -1.33 119.36 120.29 3g6e n ILE 104 Ca -0.17 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 61.87 3g6e n ILE 104 Cb 0.51 1.25 0.00 0.00 -1.74 0.00 0.00 39.64 39.66 3g6e n ILE 104 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3g6e n GLY 105 N 0.94 3.04 0.84 3.28 0.00 -1.26 -2.43 105.19 109.60 3g6e n GLY 105 Ca 0.08 -0.19 0.08 0.00 0.00 0.00 0.00 46.02 45.98 3g6e n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3g6e n LEU 106 N 0.00 2.46 -4.84 0.99 4.77 -1.26 -4.91 117.00 114.21 3g6e n LEU 106 Ca 0.00 -1.19 -0.32 0.00 -0.03 0.00 0.00 56.01 54.47 3g6e n LEU 106 Cb 0.00 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 40.80 3g6e n LEU 106 CO 0.00 0.60 0.70 0.20 -1.33 0.00 0.00 177.39 177.56 3g6e s ASN 107 N -1.11 6.28 0.12 -1.43 0.02 -1.02 -5.05 114.94 112.75 3g6e s ASN 107 Ca 0.32 1.58 -0.23 0.00 -1.02 0.00 0.00 52.86 53.52 3g6e s ASN 107 Cb 0.17 -2.50 -0.07 0.00 0.02 0.00 0.00 41.25 38.86 3g6e s ASN 107 CO 0.23 -0.83 0.68 -0.44 0.02 0.00 0.00 177.10 176.77 3g6e s SER 108 N -3.33 7.24 0.00 -1.22 0.01 -1.26 -4.96 113.70 110.17 3g6e s SER 108 Ca 0.59 1.47 -0.01 0.00 1.31 0.00 0.00 55.95 59.31 3g6e s SER 108 Cb -0.12 -2.44 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 3g6e s SER 108 CO 0.39 0.23 1.75 -2.65 0.41 0.00 0.00 173.24 173.37 3g6e n PRO 109 N 1.71 0.89 -2.16 12.44 -0.02 -1.26 -4.91 135.00 141.69 3g6e n PRO 109 Ca -0.08 -0.15 -0.42 0.00 -2.02 0.00 0.00 63.50 60.83 3g6e n PRO 109 Cb 0.50 -1.28 -0.03 0.00 -0.02 0.00 0.00 33.50 32.67 3g6e n PRO 109 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3g6e s THR 110 N 0.73 3.50 0.13 3.45 2.01 -1.26 -4.95 115.64 119.24 3g6e s THR 110 Ca 0.10 0.95 -0.33 0.00 0.31 0.00 0.00 61.69 62.72 3g6e s THR 110 Cb 0.05 -3.61 -0.12 0.00 0.01 0.00 0.00 72.50 68.83 3g6e s THR 110 CO 0.00 0.01 1.73 -2.65 -0.69 0.00 0.00 174.62 173.02 3g6e n PRO 111 N 5.14 2.49 -0.90 4.92 -0.02 -1.26 -2.64 135.00 142.74 3g6e n PRO 111 Ca 0.13 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 3g6e n PRO 111 Cb 0.43 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 3g6e n PRO 111 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g6e n GLY 112 N 3.91 0.51 3.92 -1.23 0.00 0.25 -4.93 105.19 107.61 3g6e n GLY 112 Ca 0.18 -0.39 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 3g6e n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3g6e s SER 113 N -2.36 4.22 0.41 1.61 0.01 -1.08 -4.59 113.70 111.91 3g6e s SER 113 Ca 0.00 0.52 0.07 0.00 1.31 0.00 0.00 55.95 57.85 3g6e s SER 113 Cb 0.00 -0.93 0.84 0.00 0.21 0.00 0.00 66.02 66.14 3g6e s SER 113 CO 0.00 -2.04 2.04 0.11 0.41 0.00 0.00 173.24 173.76 3g6e h LYS 114 N -1.08 0.52 0.00 12.44 1.57 -1.96 -2.51 116.57 125.56 3g6e h LYS 114 Ca -0.45 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.25 3g6e h LYS 114 Cb 1.30 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 3g6e h LYS 114 CO 0.56 0.37 -0.22 -0.39 -0.57 0.00 0.00 179.45 179.20 3g6e h VAL 115 N 0.54 0.55 0.00 0.50 -1.51 -1.94 -1.36 116.25 113.02 3g6e h VAL 115 Ca 0.14 -1.11 -0.05 0.00 -1.23 0.00 0.00 66.70 64.45 3g6e h VAL 115 Cb -0.02 1.76 -0.01 0.00 -2.13 0.00 0.00 31.29 30.89 3g6e h VAL 115 CO -0.03 0.22 -0.55 -0.26 -1.23 0.00 0.00 177.57 175.72 3g6e h PHE 116 N 0.00 0.00 -0.03 5.19 0.05 -1.82 -2.83 116.94 117.50 3g6e h PHE 116 Ca -0.00 0.00 -0.25 0.00 3.82 0.00 0.00 57.97 61.54 3g6e h PHE 116 Cb 0.74 0.00 0.02 0.00 2.00 0.00 0.00 35.95 38.71 3g6e h PHE 116 CO 0.00 0.20 -0.95 0.00 -0.18 0.00 0.00 178.31 177.38 3g6e h ALA 117 N 1.80 0.16 -0.38 2.45 0.00 -1.07 -0.86 119.26 121.36 3g6e h ALA 117 Ca -0.02 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.22 3g6e h ALA 117 Cb 1.17 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3g6e h ALA 117 CO 0.02 0.65 0.20 0.82 0.00 0.00 0.00 179.25 180.94 3g6e h ILE 118 N 0.38 1.12 -0.05 0.00 2.04 -1.25 -0.18 117.51 119.56 3g6e h ILE 118 Ca -0.11 -0.32 -0.07 0.00 1.00 0.00 0.00 64.86 65.37 3g6e h ILE 118 Cb 1.60 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 3g6e h ILE 118 CO 0.19 0.13 -0.23 -0.61 0.00 0.00 0.00 178.15 177.63 3g6e h GLN 119 N 0.52 0.24 -0.69 2.37 4.15 -1.36 -2.69 115.11 117.65 3g6e h GLN 119 Ca 0.14 -0.20 0.01 0.00 0.77 0.00 0.00 58.65 59.37 3g6e h GLN 119 Cb 0.02 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.72 3g6e h GLN 119 CO -0.02 0.85 0.45 1.49 -1.93 0.00 0.00 178.83 179.67 3g6e h GLU 120 N -0.30 0.88 -0.30 1.69 4.81 -0.40 -1.91 114.58 119.04 3g6e h GLU 120 Ca -0.02 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 3g6e h GLU 120 Cb 0.89 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 3g6e h GLU 120 CO 0.05 0.58 0.02 0.78 -0.73 0.00 0.00 179.01 179.71 3g6e h GLY 121 N 0.90 0.55 2.00 1.92 0.00 -1.07 -2.25 103.07 105.13 3g6e h GLY 121 Ca 0.26 -0.39 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 3g6e h GLY 121 CO -0.06 0.36 -0.33 0.00 0.00 0.00 0.00 176.54 176.51 3g6e h ALA 122 N 0.85 1.42 -0.13 3.60 0.00 -1.08 -2.44 119.26 121.48 3g6e h ALA 122 Ca 0.09 -0.30 -0.23 0.00 0.00 0.00 0.00 54.91 54.46 3g6e h ALA 122 Cb 0.39 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.14 3g6e h ALA 122 CO 0.01 0.42 -0.81 0.82 0.00 0.00 0.00 179.25 179.68 3g6e h ILE 123 N 0.00 1.28 0.00 0.00 2.04 -1.24 -2.94 117.51 116.65 3g6e h ILE 123 Ca -0.00 -2.01 0.00 0.00 1.00 0.00 0.00 64.86 63.85 3g6e h ILE 123 Cb 0.60 2.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 3g6e h ILE 123 CO 0.04 0.64 0.00 0.44 0.00 0.00 0.00 178.15 179.27 3g6e h ASP 124 N 0.52 0.00 0.99 1.72 3.32 -1.11 -1.47 116.42 120.39 3g6e h ASP 124 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3g6e h ASP 124 Cb 1.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.00 3g6e h ASP 124 CO 0.17 0.00 -0.10 0.00 -1.72 0.00 0.00 179.24 177.58 3g6e n ALA 125 N -2.08 2.53 0.00 3.45 0.00 -0.94 -4.91 120.51 118.55 3g6e n ALA 125 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3g6e n ALA 125 Cb 0.23 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.28 3g6e n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g6e n GLY 126 N 1.47 0.94 3.79 0.00 0.00 -0.56 -4.66 105.19 106.17 3g6e n GLY 126 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3g6e n GLY 126 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3g6e s LEU 127 N 0.00 4.57 -0.71 0.99 2.96 -1.12 -4.96 118.68 120.42 3g6e s LEU 127 Ca 0.00 1.54 -0.18 0.00 -0.22 0.00 0.00 54.13 55.27 3g6e s LEU 127 Cb 0.00 -3.19 0.14 0.00 0.50 0.00 0.00 46.19 43.63 3g6e s LEU 127 CO 0.00 0.22 0.79 -1.81 -1.32 0.00 0.00 176.35 174.23 3g6e s ASP 128 N -1.15 6.40 -0.15 3.68 1.01 -0.71 -4.32 116.67 121.44 3g6e s ASP 128 Ca 0.34 -1.85 0.01 0.00 0.71 0.00 0.00 52.55 51.76 3g6e s ASP 128 Cb -0.22 -2.30 -0.00 0.00 1.01 0.00 0.00 42.92 41.41 3g6e s ASP 128 CO 0.24 -0.97 -0.16 -0.63 0.21 0.00 0.00 175.17 173.85 3g6e s ILE 129 N 2.07 2.59 -0.18 0.77 1.01 -1.26 -2.20 121.20 124.00 3g6e s ILE 129 Ca 0.16 -0.80 -0.28 0.00 0.00 0.00 0.00 60.65 59.73 3g6e s ILE 129 Cb -0.18 -2.08 -0.06 0.00 0.01 0.00 0.00 42.46 40.16 3g6e s ILE 129 CO -0.00 0.52 2.19 -2.65 0.00 0.00 0.00 174.94 174.99 3g6e n PRO 130 N 3.97 2.12 -3.12 2.79 -0.02 -1.26 -4.94 135.00 134.54 3g6e n PRO 130 Ca -0.19 0.62 -0.12 0.00 -2.02 0.00 0.00 63.50 61.79 3g6e n PRO 130 Cb 0.52 -3.20 -0.03 0.00 -0.02 0.00 0.00 33.50 30.76 3g6e n PRO 130 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 3g6e n HIS 131 N 11.02 0.20 -3.56 6.00 1.44 -1.26 -4.78 115.22 124.27 3g6e n HIS 131 Ca 0.28 -1.16 -0.18 0.00 -2.01 0.00 0.00 57.72 54.65 3g6e n HIS 131 Cb 0.44 -0.05 -0.14 0.00 0.12 0.00 0.00 29.99 30.37 3g6e n HIS 131 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 3g6e s ASN 132 N -2.17 1.16 0.29 4.39 3.84 -1.26 -5.07 114.94 116.12 3g6e s ASN 132 Ca 0.07 -0.01 -0.01 0.00 0.21 0.00 0.00 52.86 53.12 3g6e s ASN 132 Cb 0.00 0.36 0.48 0.00 -0.55 0.00 0.00 41.25 41.54 3g6e s ASN 132 CO 0.05 -0.30 1.90 0.44 -2.79 0.00 0.00 177.10 176.40 3g6e h ASP 133 N 8.33 0.97 -0.05 -4.21 3.32 -2.01 -2.76 116.42 120.01 3g6e h ASP 133 Ca -0.16 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.90 3g6e h ASP 133 Cb 1.14 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.49 3g6e h ASP 133 CO 0.23 0.62 0.00 -0.90 -1.72 0.00 0.00 179.24 177.47 3g6e n ASP 134 N -4.49 0.42 -0.01 6.45 5.68 -1.26 -2.78 116.55 120.56 3g6e n ASP 134 Ca 0.14 -1.54 0.10 0.00 -0.50 0.00 0.00 54.79 52.99 3g6e n ASP 134 Cb 0.19 -0.03 -0.14 0.00 -1.14 0.00 0.00 41.12 40.00 3g6e n ASP 134 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 3g6e n VAL 135 N -0.49 0.00 -2.63 2.12 3.14 -1.04 -4.92 118.33 114.51 3g6e n VAL 135 Ca 0.13 -0.31 -0.30 0.00 -2.96 0.00 0.00 64.34 60.90 3g6e n VAL 135 Cb 0.12 0.38 -0.02 0.00 -1.06 0.00 0.00 33.84 33.27 3g6e n VAL 135 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3g6e s LEU 136 N -3.88 3.69 0.71 6.55 1.43 -1.12 -0.58 118.68 125.48 3g6e s LEU 136 Ca -0.02 1.20 -0.12 0.00 -1.03 0.00 0.00 54.13 54.16 3g6e s LEU 136 Cb 0.14 -4.12 0.02 0.00 0.03 0.00 0.00 46.19 42.25 3g6e s LEU 136 CO 0.84 -0.51 1.08 0.00 0.23 0.00 0.00 176.35 177.98 3g6e s ALA 137 N -2.57 2.52 0.22 4.21 0.00 -1.26 -4.57 121.76 120.31 3g6e s ALA 137 Ca 0.52 0.23 -0.30 0.00 0.00 0.00 0.00 51.96 52.42 3g6e s ALA 137 Cb -0.10 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 3g6e s ALA 137 CO 0.36 -1.37 1.21 0.16 0.00 0.00 0.00 175.76 176.12 3g6e s ASP 138 N -3.41 7.06 0.44 0.00 -4.77 -1.26 -4.89 116.67 109.84 3g6e s ASP 138 Ca 0.61 2.32 0.38 0.00 -3.30 0.00 0.00 52.55 52.56 3g6e s ASP 138 Cb -0.16 -2.62 1.39 0.00 -1.09 0.00 0.00 42.92 40.44 3g6e s ASP 138 CO 0.52 -0.37 1.28 1.87 0.70 0.00 0.00 175.17 179.17 3g6e n TRP 139 N 2.08 0.13 0.09 2.11 -0.00 -1.26 -0.58 117.44 120.01 3g6e n TRP 139 Ca 0.03 0.13 -0.06 0.00 -0.00 0.00 0.00 57.50 57.60 3g6e n TRP 139 Cb 0.44 -0.54 0.02 0.00 -0.00 0.00 0.00 31.31 31.23 3g6e n TRP 139 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 177.69 179.65 3g6e h GLN 140 N 0.00 0.11 0.00 5.87 1.08 -1.99 -2.78 115.11 117.39 3g6e h GLN 140 Ca 0.76 -0.11 -0.12 0.00 -1.45 0.00 0.00 58.65 57.73 3g6e h GLN 140 Cb 2.95 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 30.39 3g6e h GLN 140 CO -0.09 0.87 -0.59 -0.09 -0.95 0.00 0.00 178.83 177.98 3g6e h ARG 141 N 0.06 0.00 0.00 1.46 2.43 -1.21 -1.10 114.38 116.02 3g6e h ARG 141 Ca -0.03 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.02 3g6e h ARG 141 Cb 1.44 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.97 3g6e h ARG 141 CO 0.12 0.59 -0.57 1.15 -1.51 0.00 0.00 179.97 179.75 3g6e h THR 142 N 0.00 1.30 -0.03 0.20 2.02 -1.49 -2.87 112.91 112.05 3g6e h THR 142 Ca -0.01 -2.02 -0.20 0.00 0.77 0.00 0.00 66.41 64.94 3g6e h THR 142 Cb 1.19 2.12 -0.00 0.00 -1.74 0.00 0.00 68.15 69.72 3g6e h THR 142 CO 0.08 0.56 -0.85 0.03 0.37 0.00 0.00 175.52 175.70 3g6e h ARG 143 N 0.00 0.36 0.00 6.66 3.08 -1.20 -3.24 114.38 120.05 3g6e h ARG 143 Ca -0.01 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.69 3g6e h ARG 143 Cb 1.08 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.22 3g6e h ARG 143 CO 0.07 1.02 0.00 0.41 -1.07 0.00 0.00 179.97 180.41 3g6e n GLY 144 N 0.79 1.39 0.20 0.04 0.00 -0.85 -4.72 105.19 102.03 3g6e n GLY 144 Ca -0.05 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.06 3g6e n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g6e h ALA 145 N 0.00 0.90 0.00 4.61 0.00 -1.44 -2.99 119.26 120.35 3g6e h ALA 145 Ca 0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 3g6e h ALA 145 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3g6e h ALA 145 CO 0.00 0.25 -0.40 1.12 0.00 0.00 0.00 179.25 180.21 3g6e h HIS 146 N 0.00 0.00 0.00 0.00 2.07 -1.86 -2.01 115.15 113.35 3g6e h HIS 146 Ca -0.00 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.33 3g6e h HIS 146 Cb 1.03 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.98 3g6e h HIS 146 CO 0.00 0.40 -1.21 0.97 -3.07 0.00 0.00 177.93 175.02 3g6e h ILE 147 N 0.00 0.89 0.10 6.12 2.10 -1.93 -3.18 117.51 121.62 3g6e h ILE 147 Ca -0.00 -2.48 -0.28 0.00 1.08 0.00 0.00 64.86 63.17 3g6e h ILE 147 Cb 1.01 2.36 0.02 0.00 -1.09 0.00 0.00 36.82 39.12 3g6e h ILE 147 CO 0.05 0.51 -1.19 0.00 -1.08 0.00 0.00 178.15 176.44 3g6e h ALA 148 N 1.26 0.08 0.00 0.18 0.00 -1.42 -2.87 119.26 116.48 3g6e h ALA 148 Ca -0.13 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.00 3g6e h ALA 148 Cb 1.68 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.54 3g6e h ALA 148 CO 0.07 0.76 0.00 0.39 0.00 0.00 0.00 179.25 180.47 3g6e n GLU 149 N -3.74 0.67 -0.04 0.00 1.02 -0.77 -2.23 120.64 115.56 3g6e n GLU 149 Ca -0.12 0.01 -0.03 0.00 -0.02 0.00 0.00 57.16 57.00 3g6e n GLU 149 Cb 0.97 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.75 3g6e n GLU 149 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 3g6e n TYR 150 N -1.15 0.33 1.17 -0.32 9.36 -1.20 -3.95 117.16 121.40 3g6e n TYR 150 Ca 0.18 0.11 0.14 0.00 3.32 0.00 0.00 57.90 61.65 3g6e n TYR 150 Cb 0.17 -0.93 0.54 0.00 -0.63 0.00 0.00 39.34 38.50 3g6e n TYR 150 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 3g6e n ASP 151 N -2.70 0.27 0.14 2.98 -0.08 -0.94 -2.76 116.55 113.45 3g6e n ASP 151 Ca -0.19 -0.08 0.01 0.00 -1.51 0.00 0.00 54.79 53.02 3g6e n ASP 151 Cb 0.94 -0.17 0.09 0.00 2.34 0.00 0.00 41.12 44.32 3g6e n ASP 151 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 3g6e h GLU 152 N 0.19 0.00 -2.66 -0.67 4.57 -1.62 -3.19 114.58 111.19 3g6e h GLU 152 Ca 0.00 0.00 -0.77 0.00 -1.18 0.00 0.00 59.36 57.41 3g6e h GLU 152 Cb 0.44 0.00 -0.18 0.00 -0.16 0.00 0.00 28.75 28.85 3g6e h GLU 152 CO 0.00 0.56 1.86 1.04 -1.18 0.00 0.00 179.01 181.30 3g6e n GLN 153 N -3.36 4.69 0.00 1.92 6.02 -1.11 -4.89 117.38 120.64 3g6e n GLN 153 Ca 0.01 -3.89 0.00 0.00 -0.01 0.00 0.00 57.00 53.11 3g6e n GLN 153 Cb 0.71 -2.62 0.00 0.00 1.02 0.00 0.00 30.24 29.35 3g6e n GLN 153 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3g6e n LEU 154 N 1.50 0.00 0.00 1.08 7.94 -1.21 -4.80 117.00 121.52 3g6e n LEU 154 Ca 0.52 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.42 3g6e n LEU 154 Cb 0.27 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.22 3g6e n LEU 154 CO 0.66 0.00 0.00 1.21 -1.11 0.00 0.00 177.39 178.15 3g6e n GLU 155 N 0.00 0.00 -5.03 1.96 2.13 -1.26 -4.67 120.64 113.77 3g6e n GLU 155 Ca 0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 3g6e n GLU 155 Cb 0.00 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 31.56 3g6e n GLU 155 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3g6e s GLU 156 N 0.00 2.65 0.52 5.31 2.02 -1.26 -5.12 118.70 122.82 3g6e s GLU 156 Ca 0.00 -0.78 -0.21 0.00 0.02 0.00 0.00 54.97 54.00 3g6e s GLU 156 Cb 0.00 -2.33 -0.06 0.00 0.10 0.00 0.00 34.13 31.84 3g6e s GLU 156 CO 0.00 0.46 1.18 -2.14 0.02 0.00 0.00 175.26 174.78 3g6e s PRO 157 N -0.33 3.43 -0.09 0.39 0.02 -1.26 -4.99 135.00 132.17 3g6e s PRO 157 Ca 0.02 1.77 -0.26 0.00 0.02 0.00 0.00 61.00 62.56 3g6e s PRO 157 Cb -0.13 -2.18 -0.26 0.00 0.02 0.00 0.00 34.50 31.96 3g6e s PRO 157 CO 0.02 -0.82 0.90 1.25 -0.33 0.00 0.00 177.00 178.02 3g6e h LEU 158 N 1.51 0.16 -9.47 -5.54 5.85 -1.94 -3.45 115.31 102.43 3g6e h LEU 158 Ca -0.50 -0.89 -0.58 0.00 0.84 0.00 0.00 57.88 56.74 3g6e h LEU 158 Cb 1.27 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 42.18 3g6e h LEU 158 CO 0.58 1.03 -0.14 -0.31 -0.34 0.00 0.00 178.44 179.27 3g6e s TYR 159 N -2.65 3.61 -0.13 1.25 2.02 -1.26 -5.01 117.35 115.19 3g6e s TYR 159 Ca -0.17 0.98 -0.16 0.00 -0.37 0.00 0.00 57.07 57.35 3g6e s TYR 159 Cb -0.01 -2.48 -0.14 0.00 -0.40 0.00 0.00 41.96 38.93 3g6e s TYR 159 CO 0.73 0.35 0.41 1.03 -1.57 0.00 0.00 175.55 176.50 3g6e h SER 160 N 5.89 0.00 -3.71 2.29 0.87 -1.98 -3.46 113.55 113.46 3g6e h SER 160 Ca -0.45 -0.54 -0.51 0.00 -1.23 0.00 0.00 61.79 59.06 3g6e h SER 160 Cb 1.19 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.17 3g6e h SER 160 CO 0.70 0.80 0.50 -0.83 -0.53 0.00 0.00 176.83 177.48 3g6e s GLY 161 N -3.96 2.95 -0.30 5.77 0.00 -1.26 -4.95 107.32 105.57 3g6e s GLY 161 Ca -0.11 0.92 -0.29 0.00 0.00 0.00 0.00 44.72 45.24 3g6e s GLY 161 CO 0.39 1.63 1.68 -0.35 0.00 0.00 0.00 173.10 176.45 3g6e s ASP 162 N -0.53 6.13 0.10 1.64 -1.08 -1.26 -4.70 116.67 116.97 3g6e s ASP 162 Ca 0.47 1.37 0.00 0.00 -0.52 0.00 0.00 52.55 53.87 3g6e s ASP 162 Cb -0.32 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.61 3g6e s ASP 162 CO 0.40 -1.50 0.00 0.33 0.52 0.00 0.00 175.17 174.92 3g6e n PHE 163 N 9.39 -0.20 -3.56 -5.34 7.35 -1.26 -5.14 117.46 118.70 3g6e n PHE 163 Ca 0.21 0.03 -0.02 0.00 -0.76 0.00 0.00 57.45 56.91 3g6e n PHE 163 Cb 0.46 0.05 0.01 0.00 0.35 0.00 0.00 39.48 40.35 3g6e n PHE 163 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 3g6e n ASP 164 N -3.35 -0.94 0.00 -2.13 5.68 -1.26 -5.10 116.55 109.45 3g6e n ASP 164 Ca 0.00 -1.56 0.00 0.00 -0.50 0.00 0.00 54.79 52.73 3g6e n ASP 164 Cb 0.00 1.54 0.00 0.00 -1.14 0.00 0.00 41.12 41.52 3g6e n ASP 164 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3g6e n ALA 165 N -1.89 0.00 1.96 2.12 0.00 -1.26 -4.71 120.51 116.73 3g6e n ALA 165 Ca -0.07 -0.18 0.03 0.00 0.00 0.00 0.00 53.44 53.22 3g6e n ALA 165 Cb 0.28 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.93 3g6e n ALA 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g6e n ALA 166 N -2.22 2.52 -1.54 0.00 0.00 -1.26 -4.86 120.51 113.15 3g6e n ALA 166 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3g6e n ALA 166 Cb 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.34 3g6e n ALA 166 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3g6e n ASP 167 N -0.61 -8.26 -4.09 0.00 8.00 -1.26 -4.84 116.55 105.49 3g6e n ASP 167 Ca 0.05 1.17 -0.35 0.00 0.71 0.00 0.00 54.79 56.37 3g6e n ASP 167 Cb 0.02 -4.35 -0.12 0.00 -0.02 0.00 0.00 41.12 36.65 3g6e n ASP 167 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3g6e s LEU 168 N -2.73 5.11 0.00 0.64 1.43 -1.26 -4.92 118.68 116.96 3g6e s LEU 168 Ca 0.00 -2.26 0.27 0.00 -1.03 0.00 0.00 54.13 51.11 3g6e s LEU 168 Cb 0.00 -1.79 1.56 0.00 0.03 0.00 0.00 46.19 45.99 3g6e s LEU 168 CO 0.00 -0.47 2.01 -2.65 0.23 0.00 0.00 176.35 175.47 3g6e n PRO 169 N 4.25 1.05 0.05 1.29 -0.02 -1.26 -2.88 135.00 137.47 3g6e n PRO 169 Ca 0.01 -0.08 0.12 0.00 -2.02 0.00 0.00 63.50 61.54 3g6e n PRO 169 Cb 0.40 -1.42 0.49 0.00 -0.02 0.00 0.00 33.50 32.95 3g6e n PRO 169 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3g6e n GLU 170 N -0.83 0.10 0.17 -0.52 4.71 -1.26 -2.69 120.64 120.31 3g6e n GLU 170 Ca 0.20 0.15 0.04 0.00 -0.01 0.00 0.00 57.16 57.55 3g6e n GLU 170 Cb 0.11 -1.63 0.18 0.00 -1.01 0.00 0.00 31.44 29.09 3g6e n GLU 170 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 3g6e h HIS 171 N 0.00 0.00 -0.20 -0.32 2.76 -1.91 -1.96 115.15 113.52 3g6e h HIS 171 Ca 0.00 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.11 3g6e h HIS 171 Cb 0.51 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.46 3g6e h HIS 171 CO 0.00 0.43 -0.10 0.35 -1.30 0.00 0.00 177.93 177.31 3g6e h PHE 172 N 0.00 0.47 -0.62 5.26 3.57 -1.75 -2.07 116.94 121.80 3g6e h PHE 172 Ca -0.00 -0.12 -0.05 0.00 3.53 0.00 0.00 57.97 61.33 3g6e h PHE 172 Cb 1.15 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.75 3g6e h PHE 172 CO 0.00 0.71 0.20 -0.44 -2.23 0.00 0.00 178.31 176.54 3g6e h ASP 173 N 0.10 0.86 0.66 0.41 3.32 -1.62 -0.75 116.42 119.41 3g6e h ASP 173 Ca 0.04 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.95 3g6e h ASP 173 Cb 0.58 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3g6e h ASP 173 CO 0.03 0.80 0.00 -0.62 -1.72 0.00 0.00 179.24 177.73 3g6e n GLU 174 N -4.28 0.17 -0.10 3.56 1.02 -0.75 -2.37 120.64 117.89 3g6e n GLU 174 Ca 0.05 0.07 -0.12 0.00 -0.02 0.00 0.00 57.16 57.14 3g6e n GLU 174 Cb 0.20 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.01 3g6e n GLU 174 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3g6e n LEU 175 N -1.40 1.81 0.15 -4.62 7.94 -0.75 -3.91 117.00 116.22 3g6e n LEU 175 Ca 0.09 -0.07 -0.00 0.00 -1.11 0.00 0.00 56.01 54.92 3g6e n LEU 175 Cb 0.24 -0.30 0.26 0.00 0.53 0.00 0.00 43.42 44.15 3g6e n LEU 175 CO 0.21 0.69 0.62 -0.09 -1.11 0.00 0.00 177.39 177.70 3g6e h ARG 176 N 0.00 0.05 -0.49 1.96 2.43 -1.17 -2.30 114.38 114.86 3g6e h ARG 176 Ca -0.47 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 58.55 3g6e h ARG 176 Cb 1.86 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.39 3g6e h ARG 176 CO -0.04 0.52 -0.16 1.49 -1.51 0.00 0.00 179.97 180.28 3g6e h GLU 177 N 0.04 0.98 -0.24 0.20 4.57 -1.67 -1.89 114.58 116.57 3g6e h GLU 177 Ca -0.00 -0.39 -0.17 0.00 -1.18 0.00 0.00 59.36 57.61 3g6e h GLU 177 Cb 0.86 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.40 3g6e h GLU 177 CO 0.06 1.06 -0.54 1.15 -1.18 0.00 0.00 179.01 179.57 3g6e h THR 178 N 0.83 1.30 0.00 0.32 2.02 -1.62 -3.23 112.91 112.53 3g6e h THR 178 Ca 0.12 -1.75 -0.18 0.00 0.77 0.00 0.00 66.41 65.37 3g6e h THR 178 Cb 0.73 1.68 -0.03 0.00 -1.74 0.00 0.00 68.15 68.79 3g6e h THR 178 CO 0.06 0.56 -0.86 -0.07 0.37 0.00 0.00 175.52 175.58 3g6e h LEU 179 N 0.56 0.00 -0.57 2.58 3.38 -1.38 -3.21 115.31 116.67 3g6e h LEU 179 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3g6e h LEU 179 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3g6e h LEU 179 CO 0.11 0.86 0.00 -0.07 0.09 0.00 0.00 178.44 179.43 3g6e h LEU 180 N 0.00 0.00 -9.37 1.67 4.07 -1.40 -3.43 115.31 106.85 3g6e h LEU 180 Ca -0.01 0.00 -0.55 0.00 0.08 0.00 0.00 57.88 57.41 3g6e h LEU 180 Cb 1.56 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.27 3g6e h LEU 180 CO 0.11 0.00 0.44 -0.62 -1.08 0.00 0.00 178.44 177.30 3g6e s ASP 181 N -4.89 7.31 0.25 -0.43 -1.08 -1.21 -4.97 116.67 111.65 3g6e s ASP 181 Ca 0.06 1.64 0.24 0.00 -0.52 0.00 0.00 52.55 53.97 3g6e s ASP 181 Cb 0.09 -2.57 0.95 0.00 -1.46 0.00 0.00 42.92 39.94 3g6e s ASP 181 CO 0.52 -0.33 1.73 0.61 0.52 0.00 0.00 175.17 178.22 3g6e n GLY 182 N 2.98 -1.38 0.00 2.66 0.00 -1.26 -3.50 105.19 104.69 3g6e n GLY 182 Ca 0.07 0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.25 3g6e n GLY 182 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3g6e n ASP 183 N -2.26 0.00 -4.77 1.61 8.00 -1.26 -4.89 116.55 112.98 3g6e n ASP 183 Ca 0.03 0.34 -0.40 0.00 0.71 0.00 0.00 54.79 55.47 3g6e n ASP 183 Cb 0.28 -0.43 -0.02 0.00 -0.02 0.00 0.00 41.12 40.93 3g6e n ASP 183 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3g6e s ILE 184 N -2.87 2.78 -0.61 0.53 2.07 -1.23 -4.99 121.20 116.89 3g6e s ILE 184 Ca 0.13 0.73 -0.23 0.00 -1.41 0.00 0.00 60.65 59.87 3g6e s ILE 184 Cb 0.14 -3.45 0.06 0.00 0.13 0.00 0.00 42.46 39.33 3g6e s ILE 184 CO 0.36 0.14 0.95 -1.61 -1.91 0.00 0.00 174.94 172.87 3g6e s GLU 185 N -2.00 3.21 0.00 3.50 2.02 -1.26 -5.16 118.70 119.02 3g6e s GLU 185 Ca 0.52 -0.56 0.31 0.00 0.02 0.00 0.00 54.97 55.26 3g6e s GLU 185 Cb -0.38 -4.14 1.66 0.00 0.10 0.00 0.00 34.13 31.37 3g6e s GLU 185 CO 0.49 -1.65 2.09 1.28 0.02 0.00 0.00 175.26 177.49