#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gth n PRO 3 N 0.00 -0.57 -2.29 0.00 -0.02 -1.26 -4.71 135.00 126.15 1gth n PRO 3 Ca 0.00 -0.16 -0.40 0.00 -2.02 0.00 0.00 63.50 60.93 1gth n PRO 3 Cb 0.00 -1.33 -0.03 0.00 -0.02 0.00 0.00 33.50 32.12 1gth n PRO 3 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1gth s VAL 4 N -2.12 3.54 0.24 -1.45 1.01 -1.26 -4.85 120.40 115.51 1gth s VAL 4 Ca 0.46 0.31 -0.06 0.00 0.00 0.00 0.00 61.98 62.69 1gth s VAL 4 Cb -0.05 -4.42 0.20 0.00 0.00 0.00 0.00 36.38 32.11 1gth s VAL 4 CO 0.69 -1.37 1.85 -0.07 0.00 0.00 0.00 175.10 176.20 1gth h LEU 5 N 14.70 1.10 -0.65 3.92 3.38 -2.00 -2.88 115.31 132.89 1gth h LEU 5 Ca -0.27 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1gth h LEU 5 Cb 1.11 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1gth h LEU 5 CO 1.25 0.90 0.00 -1.54 0.09 0.00 0.00 178.44 179.13 1gth n SER 6 N -4.32 0.63 -4.21 -0.43 3.41 -1.26 -4.80 113.62 102.63 1gth n SER 6 Ca 0.09 -1.93 -0.24 0.00 -0.26 0.00 0.00 58.87 56.52 1gth n SER 6 Cb 0.11 -0.31 -0.14 0.00 -0.26 0.00 0.00 64.21 63.61 1gth n SER 6 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1gth s LYS 7 N -1.35 1.32 0.09 4.33 2.20 -1.09 -5.12 119.74 120.12 1gth s LYS 7 Ca 0.00 -0.84 -0.30 0.00 -0.36 0.00 0.00 55.97 54.47 1gth s LYS 7 Cb 0.00 -1.38 -0.06 0.00 -1.51 0.00 0.00 37.83 34.88 1gth s LYS 7 CO 0.00 0.36 1.09 -0.51 -0.36 0.00 0.00 175.35 175.93 1gth s ASP 8 N -1.01 7.25 0.83 1.43 1.01 -1.26 -4.96 116.67 119.96 1gth s ASP 8 Ca 0.06 1.93 -0.11 0.00 0.71 0.00 0.00 52.55 55.14 1gth s ASP 8 Cb -0.08 -2.59 0.09 0.00 1.01 0.00 0.00 42.92 41.35 1gth s ASP 8 CO 0.01 -0.30 1.10 0.68 0.21 0.00 0.00 175.17 176.87 1gth s VAL 9 N 0.51 2.92 0.27 -1.27 -7.23 -1.26 -4.67 120.40 109.66 1gth s VAL 9 Ca 0.53 0.30 -0.06 0.00 -1.81 0.00 0.00 61.98 60.94 1gth s VAL 9 Cb -0.27 -2.94 0.35 0.00 0.56 0.00 0.00 36.38 34.08 1gth s VAL 9 CO 0.31 -0.39 1.60 0.00 -0.31 0.00 0.00 175.10 176.31 1gth h ALA 10 N -1.26 0.81 -0.80 1.32 0.00 -1.99 -1.07 119.26 116.28 1gth h ALA 10 Ca -0.48 0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1gth h ALA 10 Cb 1.27 0.56 -0.04 0.00 0.00 0.00 0.00 17.79 19.58 1gth h ALA 10 CO 0.57 -0.45 0.53 -0.44 0.00 0.00 0.00 179.25 179.46 1gth h ASP 11 N 0.04 0.90 -0.24 0.00 3.32 -1.99 -0.53 116.42 117.93 1gth h ASP 11 Ca 0.46 -0.02 -0.17 0.00 0.02 0.00 0.00 57.03 57.32 1gth h ASP 11 Cb 0.83 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1gth h ASP 11 CO -0.82 0.65 -0.52 0.40 -1.72 0.00 0.00 179.24 177.23 1gth h ILE 12 N 1.07 1.29 -0.84 0.35 1.08 -1.59 -1.51 117.51 117.35 1gth h ILE 12 Ca 0.30 -1.72 0.07 0.00 -0.39 0.00 0.00 64.86 63.12 1gth h ILE 12 Cb -0.10 1.77 -0.06 0.00 -3.07 0.00 0.00 36.82 35.36 1gth h ILE 12 CO -0.07 0.55 0.55 -0.08 -0.69 0.00 0.00 178.15 178.41 1gth h GLU 13 N 0.51 0.87 -0.38 2.37 4.81 -1.00 0.10 114.58 121.86 1gth h GLU 13 Ca 0.00 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.07 1gth h GLU 13 Cb 1.13 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 1gth h GLU 13 CO 0.11 0.57 -0.19 1.03 -0.73 0.00 0.00 179.01 179.81 1gth h SER 14 N 0.89 0.82 0.52 1.04 0.87 -0.83 -2.79 113.55 114.07 1gth h SER 14 Ca 0.37 -0.41 -0.04 0.00 -1.23 0.00 0.00 61.79 60.48 1gth h SER 14 Cb 0.29 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 1gth h SER 14 CO -0.14 1.05 -0.21 -0.29 -0.53 0.00 0.00 176.83 176.71 1gth h ILE 15 N 0.59 0.73 -0.14 2.23 2.10 -0.15 -2.18 117.51 120.69 1gth h ILE 15 Ca 0.08 -0.87 0.00 0.00 1.08 0.00 0.00 64.86 65.15 1gth h ILE 15 Cb 0.74 1.54 0.00 0.00 -1.09 0.00 0.00 36.82 38.02 1gth h ILE 15 CO 0.06 0.21 0.00 0.18 -1.08 0.00 0.00 178.15 177.51 1gth n LEU 16 N -3.68 1.41 -0.30 2.19 4.77 -0.11 -4.48 117.00 116.81 1gth n LEU 16 Ca -0.01 -0.59 0.14 0.00 -0.03 0.00 0.00 56.01 55.51 1gth n LEU 16 Cb 0.33 -0.09 0.31 0.00 -2.33 0.00 0.00 43.42 41.64 1gth n LEU 16 CO 0.33 0.30 0.99 0.00 -1.33 0.00 0.00 177.39 177.68 1gth h ALA 17 N 3.96 1.38 -0.48 -1.18 0.00 -1.14 -0.41 119.26 121.39 1gth h ALA 17 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1gth h ALA 17 Cb 0.41 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1gth h ALA 17 CO 0.00 -0.43 0.00 1.28 0.00 0.00 0.00 179.25 180.10 1gth n LEU 18 N -5.15 2.96 -4.73 0.00 4.32 -1.26 -4.94 117.00 108.20 1gth n LEU 18 Ca 0.22 -1.41 -0.41 0.00 -0.02 0.00 0.00 56.01 54.38 1gth n LEU 18 Cb 0.69 -0.32 -0.03 0.00 -1.62 0.00 0.00 43.42 42.14 1gth n LEU 18 CO 0.09 0.71 1.01 0.21 -1.22 0.00 0.00 177.39 178.19 1gth s ASN 19 N -1.17 6.86 0.33 -1.43 2.47 -0.17 -4.94 114.94 116.89 1gth s ASN 19 Ca 0.38 2.41 -0.29 0.00 0.42 0.00 0.00 52.86 55.78 1gth s ASN 19 Cb 0.20 -2.61 -0.12 0.00 -1.45 0.00 0.00 41.25 37.28 1gth s ASN 19 CO 0.27 -0.57 1.45 -0.81 -3.72 0.00 0.00 177.10 173.72 1gth n PRO 20 N 2.89 2.47 -3.74 0.43 -0.04 -1.26 -5.01 135.00 130.75 1gth n PRO 20 Ca 0.07 0.87 -0.12 0.00 -0.04 0.00 0.00 63.50 64.28 1gth n PRO 20 Cb 0.42 -2.57 -0.12 0.00 -0.04 0.00 0.00 33.50 31.19 1gth n PRO 20 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1gth s ARG 21 N -1.49 0.24 0.22 0.54 0.52 -1.26 -5.14 118.95 112.59 1gth s ARG 21 Ca 0.58 0.52 -0.30 0.00 -0.52 0.00 0.00 55.73 56.01 1gth s ARG 21 Cb -0.52 -0.05 -0.09 0.00 0.52 0.00 0.00 34.95 34.80 1gth s ARG 21 CO 0.58 -0.14 1.32 0.99 0.02 0.00 0.00 175.30 178.08 1gth s THR 22 N 1.03 3.09 0.50 0.02 2.01 -1.26 -4.99 115.64 116.05 1gth s THR 22 Ca -0.07 0.92 -0.18 0.00 0.31 0.00 0.00 61.69 62.67 1gth s THR 22 Cb -0.08 -3.59 -0.08 0.00 0.01 0.00 0.00 72.50 68.76 1gth s THR 22 CO -0.07 0.15 1.01 -1.10 -0.69 0.00 0.00 174.62 173.92 1gth s GLN 23 N -0.36 3.84 -0.01 4.92 -0.21 -1.26 -4.96 119.66 121.62 1gth s GLN 23 Ca 0.56 1.16 0.21 0.00 0.02 0.00 0.00 55.36 57.31 1gth s GLN 23 Cb -0.37 -2.11 -0.26 0.00 1.00 0.00 0.00 33.01 31.27 1gth s GLN 23 CO 0.40 -0.37 0.77 -1.13 -2.12 0.00 0.00 175.29 172.84 1gth n SER 24 N -1.28 0.66 -4.18 5.90 3.41 -1.26 -4.98 113.62 111.89 1gth n SER 24 Ca 0.08 -0.65 -0.11 0.00 -0.26 0.00 0.00 58.87 57.93 1gth n SER 24 Cb 0.53 1.32 -0.10 0.00 -0.26 0.00 0.00 64.21 65.71 1gth n SER 24 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1gth s HIS 25 N -3.18 1.04 0.59 7.33 3.76 -1.26 -5.14 115.29 118.43 1gth s HIS 25 Ca 0.03 -1.32 -0.18 0.00 -0.15 0.00 0.00 55.06 53.44 1gth s HIS 25 Cb 0.15 -0.53 -0.04 0.00 1.11 0.00 0.00 32.58 33.27 1gth s HIS 25 CO 0.88 -0.59 1.12 0.00 -0.85 0.00 0.00 174.74 175.30 1gth s ALA 26 N -4.11 2.62 0.72 -1.40 0.00 -1.26 -5.01 121.76 113.31 1gth s ALA 26 Ca 0.33 0.71 -0.11 0.00 0.00 0.00 0.00 51.96 52.89 1gth s ALA 26 Cb 0.07 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.87 1gth s ALA 26 CO 0.08 -0.95 1.08 0.00 0.00 0.00 0.00 175.76 175.97 1gth s ALA 27 N -1.99 2.72 -0.21 0.00 0.00 -1.26 -5.07 121.76 115.95 1gth s ALA 27 Ca 0.70 -0.20 -0.03 0.00 0.00 0.00 0.00 51.96 52.43 1gth s ALA 27 Cb -0.22 -3.08 0.07 0.00 0.00 0.00 0.00 23.12 19.89 1gth s ALA 27 CO 0.32 -1.24 0.07 -1.17 0.00 0.00 0.00 175.76 173.74 1gth s LEU 28 N -5.47 0.94 -0.16 0.00 2.96 -1.26 -5.10 118.68 110.59 1gth s LEU 28 Ca 0.58 -0.87 -0.04 0.00 -0.22 0.00 0.00 54.13 53.58 1gth s LEU 28 Cb -0.12 -0.48 0.08 0.00 0.50 0.00 0.00 46.19 46.16 1gth s LEU 28 CO 0.53 -0.34 0.27 -1.00 -1.32 0.00 0.00 176.35 174.49 1gth s HIS 29 N 1.95 -0.44 0.83 5.38 3.76 -1.26 -5.15 115.29 120.36 1gth s HIS 29 Ca 0.02 0.77 -0.13 0.00 -0.15 0.00 0.00 55.06 55.57 1gth s HIS 29 Cb -0.17 -0.11 0.09 0.00 1.11 0.00 0.00 32.58 33.51 1gth s HIS 29 CO -0.13 -0.46 1.18 -1.13 -0.85 0.00 0.00 174.74 173.35 1gth n SER 30 N 5.35 0.87 -0.01 1.40 3.41 -1.26 -4.80 113.62 118.58 1gth n SER 30 Ca -0.06 0.56 0.02 0.00 -0.26 0.00 0.00 58.87 59.13 1gth n SER 30 Cb 0.50 -1.50 0.37 0.00 -0.26 0.00 0.00 64.21 63.31 1gth n SER 30 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1gth h THR 31 N -1.08 1.15 -0.13 6.66 2.02 -2.01 -1.81 112.91 117.70 1gth h THR 31 Ca -0.46 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.27 1gth h THR 31 Cb 1.29 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1gth h THR 31 CO 0.45 0.17 -0.00 0.25 0.37 0.00 0.00 175.52 176.76 1gth h LEU 32 N 0.56 0.23 -1.02 2.58 5.85 -2.00 -1.49 115.31 120.02 1gth h LEU 32 Ca 0.14 -0.31 0.05 0.00 0.84 0.00 0.00 57.88 58.60 1gth h LEU 32 Cb 0.09 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 1gth h LEU 32 CO -0.02 0.48 0.65 0.00 -0.34 0.00 0.00 178.44 179.22 1gth h ALA 33 N 0.75 1.37 -0.45 1.25 0.00 -1.82 -1.94 119.26 118.43 1gth h ALA 33 Ca 0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1gth h ALA 33 Cb 0.37 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1gth h ALA 33 CO 0.01 0.51 0.07 0.87 0.00 0.00 0.00 179.25 180.71 1gth h LYS 34 N 1.23 0.74 -0.92 0.00 1.79 -1.17 -1.79 116.57 116.45 1gth h LYS 34 Ca 0.41 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.69 1gth h LYS 34 Cb 0.08 -0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 30.59 1gth h LYS 34 CO -0.15 0.76 0.60 0.87 -1.08 0.00 0.00 179.45 180.45 1gth h LYS 35 N 0.60 1.23 0.00 3.15 1.57 -0.78 -1.03 116.57 121.31 1gth h LYS 35 Ca 0.14 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 1gth h LYS 35 Cb 0.38 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1gth h LYS 35 CO 0.01 0.83 -0.33 -0.07 -0.57 0.00 0.00 179.45 179.32 1gth h LEU 36 N 1.26 0.00 0.00 2.94 3.38 -1.17 -3.27 115.31 118.44 1gth h LEU 36 Ca 0.34 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.09 1gth h LEU 36 Cb -0.12 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1gth h LEU 36 CO -0.07 0.33 -1.47 -0.78 0.09 0.00 0.00 178.44 176.54 1gth h ASP 37 N 0.00 0.00 -0.65 -0.43 3.58 -0.70 -3.40 116.42 114.82 1gth h ASP 37 Ca -0.00 0.00 0.12 0.00 0.42 0.00 0.00 57.03 57.57 1gth h ASP 37 Cb 0.95 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 41.92 1gth h ASP 37 CO 0.04 0.77 0.19 0.50 -2.88 0.00 0.00 179.24 177.86 1gth h LYS 38 N 0.00 0.32 0.00 0.28 3.64 -1.26 -2.39 116.57 117.15 1gth h LYS 38 Ca -0.20 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.16 1gth h LYS 38 Cb 1.76 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.51 1gth h LYS 38 CO 0.06 0.21 -0.04 0.87 -2.27 0.00 0.00 179.45 178.29 1gth h LYS 39 N 0.33 0.00 -0.08 1.90 1.57 -1.77 -2.69 116.57 115.83 1gth h LYS 39 Ca 0.35 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.06 1gth h LYS 39 Cb 0.52 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1gth h LYS 39 CO -0.40 0.04 -0.29 1.25 -0.57 0.00 0.00 179.45 179.48 1gth h HIS 40 N 0.00 0.15 -0.02 -1.35 2.76 -1.70 -3.19 115.15 111.81 1gth h HIS 40 Ca -0.00 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 1gth h HIS 40 Cb 0.13 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.05 1gth h HIS 40 CO 0.00 0.42 -0.12 0.91 -1.30 0.00 0.00 177.93 177.84 1gth n TRP 41 N -4.16 0.00 -1.66 5.26 7.02 -1.02 -3.61 117.44 119.28 1gth n TRP 41 Ca -0.01 0.00 -0.53 0.00 -1.02 0.00 0.00 57.50 55.94 1gth n TRP 41 Cb 0.37 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.19 1gth n TRP 41 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 1gth n LYS 42 N 0.74 1.40 -0.10 -0.99 3.00 -1.18 -4.41 118.16 116.62 1gth n LYS 42 Ca 0.10 0.51 -0.18 0.00 -0.00 0.00 0.00 58.31 58.74 1gth n LYS 42 Cb 0.46 -2.21 -0.08 0.00 0.00 0.00 0.00 35.03 33.20 1gth n LYS 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1gth n ARG 43 N 4.28 0.46 -2.51 1.64 5.12 -1.26 0.13 116.66 124.51 1gth n ARG 43 Ca 0.22 0.16 -0.24 0.00 -1.93 0.00 0.00 57.85 56.05 1gth n ARG 43 Cb 0.19 -1.31 0.12 0.00 -1.16 0.00 0.00 32.46 30.31 1gth n ARG 43 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1gth s ASN 44 N -6.41 4.12 0.48 0.55 4.22 -1.26 -4.95 114.94 111.69 1gth s ASN 44 Ca -0.28 -0.33 -0.24 0.00 -2.14 0.00 0.00 52.86 49.88 1gth s ASN 44 Cb 0.09 0.03 -0.07 0.00 1.28 0.00 0.00 41.25 42.58 1gth s ASN 44 CO 0.40 -2.02 1.31 -2.84 -2.04 0.00 0.00 177.10 171.91 1gth s PRO 45 N -5.26 3.57 -0.27 3.55 0.02 -1.26 -4.97 135.00 130.37 1gth s PRO 45 Ca 0.68 2.14 -0.24 0.00 0.02 0.00 0.00 61.00 63.60 1gth s PRO 45 Cb -0.05 -2.47 -0.00 0.00 0.02 0.00 0.00 34.50 32.00 1gth s PRO 45 CO 0.46 -0.82 0.80 0.34 -0.33 0.00 0.00 177.00 177.46 1gth s ASP 46 N -0.93 6.74 0.41 2.53 -1.08 -1.26 -4.92 116.67 118.15 1gth s ASP 46 Ca 0.65 0.85 0.28 0.00 -0.52 0.00 0.00 52.55 53.81 1gth s ASP 46 Cb -0.38 -2.42 1.43 0.00 -1.46 0.00 0.00 42.92 40.10 1gth s ASP 46 CO 0.46 -0.56 1.86 0.07 0.52 0.00 0.00 175.17 177.52 1gth h LYS 47 N 7.90 0.00 0.00 4.34 2.10 -2.03 -1.45 116.57 127.43 1gth h LYS 47 Ca -0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 1gth h LYS 47 Cb 1.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 1gth h LYS 47 CO 0.88 0.00 -0.85 0.09 -2.00 0.00 0.00 179.45 177.57 1gth n ASN 48 N -2.51 0.67 -4.68 7.07 3.02 -1.26 -4.87 115.26 112.70 1gth n ASN 48 Ca -0.01 -0.41 -0.42 0.00 -0.03 0.00 0.00 54.58 53.70 1gth n ASN 48 Cb 0.10 0.67 -0.03 0.00 -0.61 0.00 0.00 39.78 39.91 1gth n ASN 48 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gth n PHE 50 N 5.30 0.14 -1.72 0.00 3.01 -1.26 -4.91 117.46 118.02 1gth n PHE 50 Ca 0.08 0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.58 1gth n PHE 50 Cb 0.48 -0.31 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 1gth n PHE 50 CO 0.00 0.00 0.00 -2.39 1.01 0.00 0.00 176.76 175.38 1gth n HIS 51 N -1.72 0.00 -3.63 1.38 1.44 -1.26 -4.97 115.22 106.47 1gth n HIS 51 Ca 0.04 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.72 1gth n HIS 51 Cb 0.38 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.47 1gth n HIS 51 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1gth n GLU 53 N -0.03 -1.15 -3.30 0.00 0.28 -1.26 -4.92 120.64 110.25 1gth n GLU 53 Ca 0.04 -0.33 -0.38 0.00 -0.16 0.00 0.00 57.16 56.34 1gth n GLU 53 Cb 0.57 -1.44 -0.06 0.00 1.43 0.00 0.00 31.44 31.94 1gth n GLU 53 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1gth s LYS 54 N -2.96 4.14 -0.01 3.44 1.02 -1.26 -4.98 119.74 119.13 1gth s LYS 54 Ca 0.47 0.67 0.05 0.00 0.02 0.00 0.00 55.97 57.18 1gth s LYS 54 Cb -0.04 -3.16 0.13 0.00 -0.52 0.00 0.00 37.83 34.25 1gth s LYS 54 CO 0.62 0.60 1.10 1.28 -0.92 0.00 0.00 175.35 178.03 1gth n LEU 55 N 1.50 2.37 -4.68 3.17 4.77 -1.26 -4.81 117.00 118.06 1gth n LEU 55 Ca -0.09 -2.11 -0.46 0.00 -0.03 0.00 0.00 56.01 53.32 1gth n LEU 55 Cb 0.51 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.44 1gth n LEU 55 CO 0.41 0.59 1.33 1.21 -1.33 0.00 0.00 177.39 179.60 1gth n GLU 56 N -0.25 2.24 -1.81 3.23 2.13 -1.24 -1.08 120.64 123.86 1gth n GLU 56 Ca 0.05 0.81 -0.18 0.00 0.66 0.00 0.00 57.16 58.50 1gth n GLU 56 Cb 0.35 -2.62 -0.06 0.00 0.27 0.00 0.00 31.44 29.38 1gth n GLU 56 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1gth n ASN 57 N 4.80 -5.02 -4.36 4.31 5.15 0.12 -4.59 115.26 115.67 1gth n ASN 57 Ca 0.19 0.33 -0.43 0.00 -0.60 0.00 0.00 54.58 54.07 1gth n ASN 57 Cb 0.30 -4.39 -0.09 0.00 -0.53 0.00 0.00 39.78 35.07 1gth n ASN 57 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1gth s ASN 58 N -2.40 5.99 -0.28 1.20 3.84 -0.24 -4.89 114.94 118.15 1gth s ASN 58 Ca 0.00 -1.33 0.10 0.00 0.21 0.00 0.00 52.86 51.84 1gth s ASN 58 Cb 0.00 -2.12 0.52 0.00 -0.55 0.00 0.00 41.25 39.10 1gth s ASN 58 CO 0.00 -0.59 1.48 0.49 -2.79 0.00 0.00 177.10 175.68 1gth n PHE 59 N 5.11 1.14 -2.19 0.43 3.01 -1.26 -4.91 117.46 118.79 1gth n PHE 59 Ca -0.12 -1.48 -0.35 0.00 1.01 0.00 0.00 57.45 56.51 1gth n PHE 59 Cb 0.44 -0.48 0.01 0.00 -0.01 0.00 0.00 39.48 39.44 1gth n PHE 59 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1gth s ASP 60 N -2.38 5.59 -0.12 4.37 1.01 -1.26 -3.84 116.67 120.04 1gth s ASP 60 Ca 0.45 2.25 -0.35 0.00 0.71 0.00 0.00 52.55 55.60 1gth s ASP 60 Cb 0.40 -2.59 -0.13 0.00 1.01 0.00 0.00 42.92 41.61 1gth s ASP 60 CO 0.02 -1.31 1.84 -0.67 0.21 0.00 0.00 175.17 175.26 1gth n ASP 61 N -1.35 3.22 -0.69 0.27 2.03 -1.26 -4.69 116.55 114.08 1gth n ASP 61 Ca 0.12 1.00 0.07 0.00 0.52 0.00 0.00 54.79 56.50 1gth n ASP 61 Cb 0.50 -1.33 0.12 0.00 -0.72 0.00 0.00 41.12 39.70 1gth n ASP 61 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1gth n ILE 62 N 4.98 0.39 -1.96 5.18 -5.35 -0.83 -5.01 119.36 116.76 1gth n ILE 62 Ca 0.23 -0.70 -0.42 0.00 -0.27 0.00 0.00 62.75 61.60 1gth n ILE 62 Cb 0.26 0.99 -0.02 0.00 -1.74 0.00 0.00 39.64 39.13 1gth n ILE 62 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1gth s LYS 63 N -1.14 4.23 0.23 6.28 1.02 -1.26 -4.89 119.74 124.22 1gth s LYS 63 Ca 0.23 2.36 0.26 0.00 0.02 0.00 0.00 55.97 58.83 1gth s LYS 63 Cb 0.14 -3.10 0.71 0.00 -0.52 0.00 0.00 37.83 35.06 1gth s LYS 63 CO 0.19 -0.49 1.72 0.45 -0.92 0.00 0.00 175.35 176.30 1gth h HIS 64 N 5.35 0.00 -0.01 3.18 3.86 -1.98 -3.29 115.15 122.25 1gth h HIS 64 Ca -0.45 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 1gth h HIS 64 Cb 1.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.69 1gth h HIS 64 CO 0.61 0.00 -0.21 0.25 0.86 0.00 0.00 177.93 179.43 1gth n THR 65 N -2.36 0.00 -1.94 2.45 -2.24 -1.26 -4.93 114.28 103.99 1gth n THR 65 Ca 0.05 -0.18 -0.41 0.00 -2.27 0.00 0.00 64.05 61.24 1gth n THR 65 Cb 0.44 0.55 -0.02 0.00 -2.10 0.00 0.00 70.33 69.21 1gth n THR 65 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1gth s THR 66 N -2.37 2.43 0.07 4.28 2.01 -1.24 -3.91 115.64 116.91 1gth s THR 66 Ca 0.27 0.38 0.07 0.00 0.31 0.00 0.00 61.69 62.72 1gth s THR 66 Cb 0.20 -3.25 -0.03 0.00 0.01 0.00 0.00 72.50 69.43 1gth s THR 66 CO 0.48 0.07 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.54 1gth s LEU 67 N -0.98 2.24 0.00 4.42 1.43 -1.26 -4.83 118.68 119.70 1gth s LEU 67 Ca 0.57 -0.59 0.07 0.00 -1.03 0.00 0.00 54.13 53.15 1gth s LEU 67 Cb -0.44 -0.76 0.09 0.00 0.03 0.00 0.00 46.19 45.12 1gth s LEU 67 CO 0.50 0.04 0.70 0.61 0.23 0.00 0.00 176.35 178.43 1gth n GLY 68 N 1.45 1.79 0.11 -3.19 0.00 -1.26 -4.78 105.19 99.31 1gth n GLY 68 Ca -0.19 -2.19 -0.11 0.00 0.00 0.00 0.00 46.02 43.53 1gth n GLY 68 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1gth h GLU 69 N 0.00 0.25 -0.27 1.61 4.81 -1.99 -0.33 114.58 118.66 1gth h GLU 69 Ca -0.24 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.02 1gth h GLU 69 Cb 1.06 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.32 1gth h GLU 69 CO 0.32 0.30 -0.25 -0.09 -0.73 0.00 0.00 179.01 178.56 1gth h ARG 70 N 0.15 -0.24 -0.65 1.92 2.43 -1.97 -0.32 114.38 115.70 1gth h ARG 70 Ca 0.06 0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.17 1gth h ARG 70 Cb 0.13 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 1gth h ARG 70 CO -0.01 -0.16 0.11 0.78 -1.51 0.00 0.00 179.97 179.18 1gth h GLY 71 N -0.25 1.15 0.97 2.80 0.00 -1.92 -2.81 103.07 103.01 1gth h GLY 71 Ca 0.14 -0.76 -0.04 0.00 0.00 0.00 0.00 47.33 46.67 1gth h GLY 71 CO -0.41 0.70 0.13 0.00 0.00 0.00 0.00 176.54 176.96 1gth h ALA 72 N 1.10 0.63 -0.88 3.60 0.00 -0.48 -1.75 119.26 121.49 1gth h ALA 72 Ca 0.20 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1gth h ALA 72 Cb 0.43 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1gth h ALA 72 CO 0.01 0.30 0.58 -0.07 0.00 0.00 0.00 179.25 180.08 1gth h LEU 73 N 0.64 1.01 -0.18 0.00 3.38 -1.00 0.19 115.31 119.36 1gth h LEU 73 Ca 0.15 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1gth h LEU 73 Cb 0.30 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1gth h LEU 73 CO -0.00 0.73 0.02 0.03 0.09 0.00 0.00 178.44 179.31 1gth h ARG 74 N 1.19 0.30 -0.22 1.13 3.08 -1.28 -1.43 114.38 117.14 1gth h ARG 74 Ca 0.32 -0.08 -0.10 0.00 0.07 0.00 0.00 59.98 60.18 1gth h ARG 74 Cb -0.14 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1gth h ARG 74 CO -0.07 0.48 -0.31 1.49 -1.07 0.00 0.00 179.97 180.48 1gth h GLU 75 N 0.08 0.44 -0.30 0.04 4.57 -1.06 -2.18 114.58 116.18 1gth h GLU 75 Ca 0.05 -0.19 -0.14 0.00 -1.18 0.00 0.00 59.36 57.91 1gth h GLU 75 Cb 0.33 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 1gth h GLU 75 CO 0.00 0.71 -0.38 0.00 -1.18 0.00 0.00 179.01 178.16 1gth h ALA 76 N 1.29 0.77 -0.03 2.92 0.00 -0.55 -2.69 119.26 120.97 1gth h ALA 76 Ca 0.05 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 1gth h ALA 76 Cb 0.74 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1gth h ALA 76 CO 0.06 0.65 -0.36 0.52 0.00 0.00 0.00 179.25 180.12 1gth h MET 77 N 0.58 0.07 -0.06 0.00 2.86 -1.04 -3.00 114.93 114.34 1gth h MET 77 Ca 0.05 -0.03 -0.15 0.00 -2.06 0.00 0.00 59.70 57.52 1gth h MET 77 Cb 0.91 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.55 1gth h MET 77 CO 0.08 0.42 -0.63 -0.09 1.06 0.00 0.00 176.91 177.75 1gth h ARG 78 N 0.06 0.21 -6.49 1.72 2.43 -1.16 -3.45 114.38 107.69 1gth h ARG 78 Ca 0.00 -0.15 -0.60 0.00 -0.81 0.00 0.00 59.98 58.42 1gth h ARG 78 Cb 0.67 0.03 0.07 0.00 -0.42 0.00 0.00 29.97 30.32 1gth h ARG 78 CO 0.05 0.77 0.62 0.00 -1.51 0.00 0.00 179.97 179.90 1gth h LEU 80 N 4.74 0.00 -2.51 0.00 3.38 -1.89 -3.45 115.31 115.58 1gth h LEU 80 Ca -0.45 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.13 1gth h LEU 80 Cb 1.28 0.00 0.10 0.00 0.09 0.00 0.00 40.66 42.13 1gth h LEU 80 CO 0.80 0.00 -0.88 0.29 0.09 0.00 0.00 178.44 178.73 1gth n LYS 81 N -2.71 -2.78 -1.45 1.13 5.02 -1.26 -4.84 118.16 111.27 1gth n LYS 81 Ca 0.02 0.60 -0.34 0.00 -2.02 0.00 0.00 58.31 56.57 1gth n LYS 81 Cb 0.33 -4.86 0.09 0.00 -0.02 0.00 0.00 35.03 30.56 1gth n LYS 81 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1gth s ALA 83 N -2.15 3.25 -1.75 0.00 0.00 -1.26 -3.58 121.76 116.27 1gth s ALA 83 Ca 0.72 0.46 -0.18 0.00 0.00 0.00 0.00 51.96 52.95 1gth s ALA 83 Cb -0.26 -3.12 0.17 0.00 0.00 0.00 0.00 23.12 19.91 1gth s ALA 83 CO 0.46 0.20 0.63 -3.47 0.00 0.00 0.00 175.76 173.57 1gth n ASP 84 N 0.60 -2.18 -4.52 0.00 2.03 -1.26 -4.69 116.55 106.53 1gth n ASP 84 Ca 0.01 -1.13 -0.57 0.00 0.52 0.00 0.00 54.79 53.62 1gth n ASP 84 Cb 0.50 -2.21 -0.07 0.00 -0.72 0.00 0.00 41.12 38.62 1gth n ASP 84 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1gth n ALA 85 N -4.27 -2.95 0.23 -1.67 0.00 -1.24 -4.88 120.51 105.73 1gth n ALA 85 Ca 0.04 0.58 0.10 0.00 0.00 0.00 0.00 53.44 54.16 1gth n ALA 85 Cb 0.50 -1.84 0.49 0.00 0.00 0.00 0.00 19.45 18.60 1gth n ALA 85 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1gth h PRO 86 N 3.42 0.00 -0.42 0.00 0.13 -1.83 -2.70 132.00 130.59 1gth h PRO 86 Ca -0.50 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.53 1gth h PRO 86 Cb 1.41 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.52 1gth h PRO 86 CO 0.68 0.22 -0.12 0.00 -0.23 0.00 0.00 178.00 178.56 1gth h GLN 88 N 0.65 0.93 0.00 0.00 4.15 -1.75 -2.02 115.11 117.07 1gth h GLN 88 Ca 0.11 -0.34 -0.05 0.00 0.77 0.00 0.00 58.65 59.14 1gth h GLN 88 Cb 0.65 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.27 1gth h GLN 88 CO 0.04 1.00 -0.22 0.87 -1.93 0.00 0.00 178.83 178.59 1gth h LYS 89 N 0.83 0.00 -0.11 1.69 1.57 -1.28 -2.07 116.57 117.20 1gth h LYS 89 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1gth h LYS 89 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1gth h LYS 89 CO 0.05 0.22 0.00 0.43 -0.57 0.00 0.00 179.45 179.58 1gth n SER 90 N -4.07 1.43 -4.62 0.86 7.64 -0.29 -4.81 113.62 109.77 1gth n SER 90 Ca -0.02 -1.61 -0.38 0.00 1.01 0.00 0.00 58.87 57.87 1gth n SER 90 Cb 0.29 -0.07 -0.10 0.00 -1.01 0.00 0.00 64.21 63.32 1gth n SER 90 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1gth h PRO 92 N 8.00 0.00 -0.55 0.00 0.11 -1.87 0.29 132.00 137.99 1gth h PRO 92 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1gth h PRO 92 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1gth h PRO 92 CO 0.60 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.64 1gth n THR 93 N -4.04 0.83 -3.87 -1.15 -2.24 -1.26 -4.83 114.28 97.73 1gth n THR 93 Ca 0.08 -0.92 -0.29 0.00 -2.27 0.00 0.00 64.05 60.65 1gth n THR 93 Cb 0.58 0.66 0.03 0.00 -2.10 0.00 0.00 70.33 69.50 1gth n THR 93 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1gth n HIS 94 N 1.37 -2.33 -1.83 4.78 -0.00 0.09 -4.79 115.22 112.52 1gth n HIS 94 Ca 0.20 0.91 -0.41 0.00 0.46 0.00 0.00 57.72 58.88 1gth n HIS 94 Cb 0.57 -4.12 -0.01 0.00 -0.12 0.00 0.00 29.99 26.31 1gth n HIS 94 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1gth s LEU 95 N -7.23 4.34 -1.29 0.27 1.02 -1.26 -4.86 118.68 109.66 1gth s LEU 95 Ca 0.60 2.97 -0.18 0.00 0.02 0.00 0.00 54.13 57.53 1gth s LEU 95 Cb -0.30 -3.65 0.04 0.00 0.02 0.00 0.00 46.19 42.30 1gth s LEU 95 CO 0.82 -0.86 1.85 -0.67 0.02 0.00 0.00 176.35 177.51 1gth n ASP 96 N 1.26 4.46 -0.31 2.29 4.64 -1.26 -4.56 116.55 123.08 1gth n ASP 96 Ca 0.04 -2.87 0.01 0.00 -1.38 0.00 0.00 54.79 50.59 1gth n ASP 96 Cb 0.39 -1.72 0.15 0.00 -1.04 0.00 0.00 41.12 38.90 1gth n ASP 96 CO 0.00 0.00 0.00 0.40 -0.82 0.00 0.00 177.20 176.78 1gth h ILE 97 N 5.37 1.02 -0.47 5.18 2.04 -1.95 -2.20 117.51 126.49 1gth h ILE 97 Ca 0.44 -0.32 0.07 0.00 1.00 0.00 0.00 64.86 66.04 1gth h ILE 97 Cb 0.84 -0.01 -0.06 0.00 -0.74 0.00 0.00 36.82 36.85 1gth h ILE 97 CO 1.51 0.17 0.16 0.50 0.00 0.00 0.00 178.15 180.49 1gth h LYS 98 N 0.94 0.31 -0.07 2.37 3.64 -1.89 -1.27 116.57 120.61 1gth h LYS 98 Ca 0.38 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.72 1gth h LYS 98 Cb 0.21 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1gth h LYS 98 CO -0.19 0.21 -0.03 0.77 -2.27 0.00 0.00 179.45 177.94 1gth h SER 99 N 0.32 0.14 -0.06 4.20 0.02 -1.84 -1.74 113.55 114.60 1gth h SER 99 Ca 0.23 -0.41 -0.10 0.00 -0.84 0.00 0.00 61.79 60.67 1gth h SER 99 Cb 0.25 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 1gth h SER 99 CO -0.24 0.52 -0.25 2.19 -1.14 0.00 0.00 176.83 177.90 1gth h PHE 100 N -0.23 0.54 -0.17 3.45 -5.15 -1.31 -0.82 116.94 113.25 1gth h PHE 100 Ca 0.02 -0.11 -0.16 0.00 -0.20 0.00 0.00 57.97 57.51 1gth h PHE 100 Cb 0.46 -0.13 -0.01 0.00 0.22 0.00 0.00 35.95 36.49 1gth h PHE 100 CO 0.07 0.70 -0.56 0.82 -2.00 0.00 0.00 178.31 177.33 1gth h ILE 101 N 0.43 1.33 -0.53 0.88 2.04 -1.28 -1.67 117.51 118.71 1gth h ILE 101 Ca 0.06 -1.82 -0.00 0.00 1.00 0.00 0.00 64.86 64.10 1gth h ILE 101 Cb 0.67 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 1gth h ILE 101 CO 0.05 0.56 0.32 0.74 0.00 0.00 0.00 178.15 179.82 1gth h THR 102 N 0.41 1.16 -0.96 -0.27 2.02 -0.88 -1.00 112.91 113.39 1gth h THR 102 Ca 0.00 -0.37 0.02 0.00 0.77 0.00 0.00 66.41 66.83 1gth h THR 102 Cb 1.10 0.45 -0.05 0.00 -1.74 0.00 0.00 68.15 67.91 1gth h THR 102 CO 0.10 0.17 0.64 0.28 0.37 0.00 0.00 175.52 177.08 1gth h SER 103 N 0.71 1.09 -0.26 4.18 0.02 -0.92 -1.67 113.55 116.71 1gth h SER 103 Ca 0.19 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 1gth h SER 103 Cb -0.01 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 1gth h SER 103 CO -0.04 0.78 0.08 0.40 -1.14 0.00 0.00 176.83 176.91 1gth h ILE 104 N 1.28 1.20 0.00 3.27 2.04 -0.62 0.28 117.51 124.95 1gth h ILE 104 Ca 0.36 -0.64 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 1gth h ILE 104 Cb -0.11 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1gth h ILE 104 CO -0.09 0.21 -0.02 0.77 0.00 0.00 0.00 178.15 179.02 1gth h SER 105 N 0.25 0.00 -0.48 1.72 4.64 -0.73 0.14 113.55 119.10 1gth h SER 105 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1gth h SER 105 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1gth h SER 105 CO -0.00 0.02 0.00 0.59 -0.87 0.00 0.00 176.83 176.57 1gth n ASN 106 N -3.69 2.73 -0.85 4.97 3.02 -0.67 -4.92 115.26 115.85 1gth n ASN 106 Ca -0.03 -1.97 -0.11 0.00 -0.03 0.00 0.00 54.58 52.44 1gth n ASN 106 Cb 0.11 -0.32 -0.05 0.00 -0.61 0.00 0.00 39.78 38.92 1gth n ASN 106 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1gth n LYS 107 N 0.99 -1.00 -3.17 3.52 5.02 0.50 -4.67 118.16 119.36 1gth n LYS 107 Ca 0.17 0.86 -0.44 0.00 -2.02 0.00 0.00 58.31 56.88 1gth n LYS 107 Cb 0.44 -4.91 0.00 0.00 -0.02 0.00 0.00 35.03 30.55 1gth n LYS 107 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1gth n ASN 108 N -0.26 5.93 0.04 4.39 5.15 0.91 -4.69 115.26 126.73 1gth n ASN 108 Ca -0.11 -3.21 0.00 0.00 -0.60 0.00 0.00 54.58 50.66 1gth n ASN 108 Cb 0.42 -1.34 0.31 0.00 -0.53 0.00 0.00 39.78 38.65 1gth n ASN 108 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 1gth h TYR 109 N 6.10 0.45 0.37 1.20 0.99 -1.90 -2.01 116.97 122.17 1gth h TYR 109 Ca 0.19 -0.05 -0.02 0.00 2.00 0.00 0.00 58.73 60.85 1gth h TYR 109 Cb 0.75 -0.13 0.00 0.00 1.00 0.00 0.00 36.73 38.36 1gth h TYR 109 CO 0.88 0.50 -0.18 -0.92 -0.00 0.00 0.00 178.16 178.45 1gth h TYR 110 N 0.41 -0.46 -0.97 4.88 3.20 -1.88 -0.23 116.97 121.92 1gth h TYR 110 Ca 0.08 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.05 1gth h TYR 110 Cb 0.38 0.15 -0.08 0.00 1.54 0.00 0.00 36.73 38.73 1gth h TYR 110 CO 0.01 -0.23 0.62 0.78 -1.64 0.00 0.00 178.16 177.70 1gth h GLY 111 N -0.61 1.50 0.86 1.82 0.00 -1.80 0.24 103.07 105.09 1gth h GLY 111 Ca -0.05 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 1gth h GLY 111 CO 0.08 0.18 -0.04 0.00 0.00 0.00 0.00 176.54 176.76 1gth h ALA 112 N 1.54 -0.12 -0.76 3.60 0.00 -1.08 -1.82 119.26 120.62 1gth h ALA 112 Ca 0.47 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1gth h ALA 112 Cb 0.46 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1gth h ALA 112 CO -0.23 -0.49 0.43 0.00 0.00 0.00 0.00 179.25 178.96 1gth h ALA 113 N 0.64 0.97 -0.58 0.00 0.00 -0.32 -1.23 119.26 118.74 1gth h ALA 113 Ca -0.01 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1gth h ALA 113 Cb 0.22 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1gth h ALA 113 CO 0.02 0.47 0.35 -0.22 0.00 0.00 0.00 179.25 179.87 1gth h LYS 114 N 1.05 0.67 -0.55 0.00 3.64 -0.41 0.05 116.57 121.02 1gth h LYS 114 Ca 0.27 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.56 1gth h LYS 114 Cb 0.01 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 1gth h LYS 114 CO -0.05 0.44 0.14 1.98 -2.27 0.00 0.00 179.45 179.70 1gth h MET 115 N 0.69 0.87 0.33 1.90 4.05 -0.91 -1.31 114.93 120.55 1gth h MET 115 Ca 0.23 -0.21 -0.02 0.00 -0.28 0.00 0.00 59.70 59.43 1gth h MET 115 Cb 0.03 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 30.72 1gth h MET 115 CO -0.10 0.82 -0.16 0.82 0.23 0.00 0.00 176.91 178.51 1gth h ILE 116 N 0.77 0.69 0.00 1.77 2.04 -0.76 -3.02 117.51 119.01 1gth h ILE 116 Ca 0.17 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1gth h ILE 116 Cb 0.33 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1gth h ILE 116 CO 0.00 0.04 -0.05 -0.26 0.00 0.00 0.00 178.15 177.88 1gth h PHE 117 N -0.55 0.00 -0.64 1.37 -1.00 -0.98 -0.70 116.94 114.44 1gth h PHE 117 Ca -0.05 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.73 1gth h PHE 117 Cb 0.41 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.93 1gth h PHE 117 CO -0.03 0.05 0.36 0.77 -1.61 0.00 0.00 178.31 177.86 1gth h SER 118 N 0.00 0.77 0.00 2.17 0.02 -1.10 -3.07 113.55 112.35 1gth h SER 118 Ca -0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1gth h SER 118 Cb 0.41 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1gth h SER 118 CO 0.01 0.61 -0.97 0.47 -1.14 0.00 0.00 176.83 175.81 1gth n ASP 119 N -4.39 0.91 -3.47 3.07 8.00 -1.06 -4.51 116.55 115.10 1gth n ASP 119 Ca 0.06 -0.63 -0.23 0.00 0.71 0.00 0.00 54.79 54.71 1gth n ASP 119 Cb 0.09 1.19 -0.12 0.00 -0.02 0.00 0.00 41.12 42.25 1gth n ASP 119 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1gth s ASN 120 N -2.77 2.56 0.48 -2.24 3.84 -0.30 -4.87 114.94 111.65 1gth s ASN 120 Ca 0.03 -0.99 0.32 0.00 0.21 0.00 0.00 52.86 52.42 1gth s ASN 120 Cb 0.11 0.09 1.73 0.00 -0.55 0.00 0.00 41.25 42.63 1gth s ASN 120 CO 0.62 -0.41 1.98 -0.65 -2.79 0.00 0.00 177.10 175.85 1gth h PRO 121 N 8.34 0.00 -1.18 0.43 0.11 -1.84 -1.57 132.00 136.28 1gth h PRO 121 Ca -0.17 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.33 1gth h PRO 121 Cb 1.05 0.00 -0.38 0.00 0.11 0.00 0.00 31.00 31.78 1gth h PRO 121 CO 0.38 0.00 -0.23 1.28 -0.21 0.00 0.00 178.00 179.23 1gth n LEU 122 N -2.63 5.73 -0.26 2.35 4.32 -1.26 -4.86 117.00 120.40 1gth n LEU 122 Ca -0.02 -4.81 0.05 0.00 -0.02 0.00 0.00 56.01 51.20 1gth n LEU 122 Cb 0.05 -0.59 0.18 0.00 -1.62 0.00 0.00 43.42 41.44 1gth n LEU 122 CO 0.14 1.98 1.05 1.23 -1.22 0.00 0.00 177.39 180.57 1gth h GLY 123 N 2.37 1.17 0.75 -0.72 0.00 -1.60 -1.57 103.07 103.47 1gth h GLY 123 Ca 0.42 -0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.52 1gth h GLY 123 CO 1.03 -0.04 -0.10 -2.00 0.00 0.00 0.00 176.54 175.43 1gth h LEU 124 N 0.52 0.35 -0.19 3.11 5.85 -1.88 -1.68 115.31 121.40 1gth h LEU 124 Ca 0.41 -0.43 0.04 0.00 0.84 0.00 0.00 57.88 58.73 1gth h LEU 124 Cb 0.56 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 1gth h LEU 124 CO -0.36 0.71 -0.06 0.74 -0.34 0.00 0.00 178.44 179.13 1gth h THR 125 N -0.00 0.78 -0.45 1.05 2.02 -1.83 -2.23 112.91 112.25 1gth h THR 125 Ca 0.03 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.16 1gth h THR 125 Cb 0.59 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 1gth h THR 125 CO 0.03 0.00 0.07 0.00 0.37 0.00 0.00 175.52 175.99 1gth h GLY 127 N 0.91 1.28 1.51 0.00 0.00 -0.79 0.86 103.07 106.84 1gth h GLY 127 Ca 0.15 -0.46 -0.27 0.00 0.00 0.00 0.00 47.33 46.74 1gth h GLY 127 CO 0.00 0.42 -1.20 -0.33 0.00 0.00 0.00 176.54 175.43 1gth h MET 128 N 1.17 0.39 0.00 4.80 2.86 -0.82 -3.38 114.93 119.95 1gth h MET 128 Ca 0.35 -0.57 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 1gth h MET 128 Cb -0.05 0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.81 1gth h MET 128 CO -0.09 1.24 -0.51 1.33 1.06 0.00 0.00 176.91 179.94 1gth n VAL 129 N -3.64 0.00 -1.68 -2.22 0.24 -0.06 -4.96 118.33 106.01 1gth n VAL 129 Ca -0.10 -0.29 -0.45 0.00 -2.04 0.00 0.00 64.34 61.47 1gth n VAL 129 Cb 0.98 0.93 -0.03 0.00 -1.47 0.00 0.00 33.84 34.25 1gth n VAL 129 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1gth n PRO 131 N 2.76 3.03 -0.34 0.00 -0.04 -1.26 -4.79 135.00 134.37 1gth n PRO 131 Ca 0.14 -2.63 0.24 0.00 -0.04 0.00 0.00 63.50 61.21 1gth n PRO 131 Cb 0.31 -3.19 0.52 0.00 -0.04 0.00 0.00 33.50 31.10 1gth n PRO 131 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1gth h THR 132 N 3.84 0.48 0.00 0.52 1.35 -1.95 -0.14 112.91 117.02 1gth h THR 132 Ca 0.60 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 66.33 1gth h THR 132 Cb 0.59 0.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.10 1gth h THR 132 CO 1.85 0.07 0.00 0.77 -0.25 0.00 0.00 175.52 177.96 1gth h SER 133 N 0.36 0.00 -0.08 5.36 4.64 -1.91 0.14 113.55 122.06 1gth h SER 133 Ca 0.62 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.94 1gth h SER 133 Cb 1.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 1gth h SER 133 CO -0.31 0.00 0.00 -0.67 -0.87 0.00 0.00 176.83 174.98 1gth n ASP 134 N -3.08 2.42 0.00 4.97 2.03 -0.07 -3.85 116.55 118.97 1gth n ASP 134 Ca -0.03 -1.69 0.00 0.00 0.52 0.00 0.00 54.79 53.59 1gth n ASP 134 Cb 0.07 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 1gth n ASP 134 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1gth n LEU 135 N 0.88 0.00 0.05 -2.67 4.77 0.44 -4.90 117.00 115.57 1gth n LEU 135 Ca 0.10 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.97 1gth n LEU 135 Cb 0.40 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.45 1gth n LEU 135 CO 0.10 0.00 0.69 0.00 -1.33 0.00 0.00 177.39 176.85 1gth h VAL 137 N -0.39 0.74 0.00 0.00 2.07 -1.75 -1.57 116.25 115.34 1gth h VAL 137 Ca 0.07 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 1gth h VAL 137 Cb 0.48 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1gth h VAL 137 CO -0.24 0.01 -0.04 1.23 0.02 0.00 0.00 177.57 178.55 1gth h GLY 138 N 0.04 0.00 -1.40 2.17 0.00 -1.00 -2.67 103.07 100.21 1gth h GLY 138 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1gth h GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1gth n GLY 139 N -0.56 2.05 3.70 4.60 0.00 -0.60 -5.01 105.19 109.37 1gth n GLY 139 Ca -0.01 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 1gth n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gth h ASN 141 N 7.84 0.13 0.08 0.00 2.35 -1.94 -1.59 115.58 122.46 1gth h ASN 141 Ca -0.42 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 1gth h ASN 141 Cb 1.20 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.54 1gth h ASN 141 CO 0.92 0.08 0.00 0.18 -1.65 0.00 0.00 177.43 176.96 1gth n LEU 142 N -4.46 0.00 0.25 1.61 4.77 -1.26 -1.31 117.00 116.60 1gth n LEU 142 Ca 0.06 0.10 0.12 0.00 -0.03 0.00 0.00 56.01 56.26 1gth n LEU 142 Cb 0.36 -0.10 0.63 0.00 -2.33 0.00 0.00 43.42 41.98 1gth n LEU 142 CO 0.35 -0.06 0.91 0.22 -1.33 0.00 0.00 177.39 177.48 1gth h TYR 143 N 0.00 0.00 -0.01 -1.77 3.20 -1.50 -2.06 116.97 114.83 1gth h TYR 143 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1gth h TYR 143 Cb 0.04 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.31 1gth h TYR 143 CO 0.00 0.15 0.00 0.00 -1.64 0.00 0.00 178.16 176.67 1gth n ALA 144 N -2.23 2.52 -2.42 1.82 0.00 -0.43 -4.76 120.51 115.02 1gth n ALA 144 Ca -0.01 -0.04 -0.21 0.00 0.00 0.00 0.00 53.44 53.18 1gth n ALA 144 Cb 0.32 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.66 1gth n ALA 144 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1gth s THR 145 N -1.36 1.96 0.30 0.00 -4.23 -0.78 -5.04 115.64 106.49 1gth s THR 145 Ca 0.01 -2.13 0.01 0.00 -1.18 0.00 0.00 61.69 58.40 1gth s THR 145 Cb 0.01 -2.02 0.17 0.00 1.34 0.00 0.00 72.50 71.99 1gth s THR 145 CO 0.00 -0.42 1.86 -0.33 -0.54 0.00 0.00 174.62 175.20 1gth h GLU 146 N 2.81 0.75 0.00 3.99 3.07 -1.86 -2.01 114.58 121.34 1gth h GLU 146 Ca -0.41 -0.14 0.00 0.00 -0.50 0.00 0.00 59.36 58.31 1gth h GLU 146 Cb 1.22 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 1gth h GLU 146 CO 0.56 0.67 0.00 1.05 -1.40 0.00 0.00 179.01 179.90 1gth h GLU 147 N 0.73 0.00 0.00 2.33 9.09 -1.95 -3.49 114.58 121.30 1gth h GLU 147 Ca 0.17 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.58 1gth h GLU 147 Cb 0.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.35 1gth h GLU 147 CO -0.00 0.00 0.00 0.41 0.05 0.00 0.00 179.01 179.47 1gth n GLY 148 N 0.06 -1.04 3.71 1.06 0.00 -0.76 -4.99 105.19 103.23 1gth n GLY 148 Ca 0.02 -1.62 -0.34 0.00 0.00 0.00 0.00 46.02 44.08 1gth n GLY 148 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gth s SER 149 N -1.78 3.90 0.24 1.61 0.01 -1.20 -4.44 113.70 112.04 1gth s SER 149 Ca 0.00 2.35 -0.30 0.00 1.31 0.00 0.00 55.95 59.31 1gth s SER 149 Cb 0.00 -2.59 -0.09 0.00 0.21 0.00 0.00 66.02 63.56 1gth s SER 149 CO 0.00 -2.46 1.06 -0.63 0.41 0.00 0.00 173.24 171.62 1gth s ILE 150 N -2.09 3.74 -1.33 1.44 -1.09 -1.26 -4.94 121.20 115.68 1gth s ILE 150 Ca 0.73 1.67 -0.17 0.00 -2.23 0.00 0.00 60.65 60.65 1gth s ILE 150 Cb -0.29 -4.06 0.04 0.00 -1.58 0.00 0.00 42.46 36.57 1gth s ILE 150 CO 0.48 0.36 1.94 -3.20 -1.23 0.00 0.00 174.94 173.30 1gth n ASN 151 N 1.63 4.31 -0.16 3.58 5.15 -1.26 -4.76 115.26 123.75 1gth n ASN 151 Ca -0.00 -2.87 -0.08 0.00 -0.60 0.00 0.00 54.58 51.04 1gth n ASN 151 Cb 0.46 -1.69 0.01 0.00 -0.53 0.00 0.00 39.78 38.03 1gth n ASN 151 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1gth h ILE 152 N 4.98 1.14 -0.06 -1.44 2.04 -1.98 -2.39 117.51 119.80 1gth h ILE 152 Ca 0.48 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 66.06 1gth h ILE 152 Cb 0.78 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1gth h ILE 152 CO 1.63 0.14 -0.04 1.23 0.00 0.00 0.00 178.15 181.10 1gth h GLY 153 N 0.63 0.01 0.77 5.37 0.00 -1.86 0.12 103.07 108.11 1gth h GLY 153 Ca 0.17 0.05 0.06 0.00 0.00 0.00 0.00 47.33 47.61 1gth h GLY 153 CO -0.03 -0.05 0.60 -1.33 0.00 0.00 0.00 176.54 175.72 1gth h GLY 154 N -0.05 1.40 1.23 4.60 0.00 -1.65 0.11 103.07 108.71 1gth h GLY 154 Ca 0.04 -0.44 -0.13 0.00 0.00 0.00 0.00 47.33 46.80 1gth h GLY 154 CO -0.09 0.33 -0.23 1.41 0.00 0.00 0.00 176.54 177.96 1gth h LEU 155 N 1.11 0.89 -0.70 3.11 3.38 -1.04 -0.46 115.31 121.60 1gth h LEU 155 Ca 0.40 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1gth h LEU 155 Cb 0.12 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1gth h LEU 155 CO -0.16 1.09 0.10 -0.61 0.09 0.00 0.00 178.44 178.95 1gth h GLN 156 N 0.75 1.09 -0.29 1.13 4.15 -0.17 -2.32 115.11 119.46 1gth h GLN 156 Ca 0.10 -0.29 -0.02 0.00 0.77 0.00 0.00 58.65 59.20 1gth h GLN 156 Cb 0.78 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.33 1gth h GLN 156 CO 0.06 1.01 0.10 0.37 -1.93 0.00 0.00 178.83 178.44 1gth h GLN 157 N 1.02 0.45 0.17 1.69 4.15 -0.57 -2.40 115.11 119.62 1gth h GLN 157 Ca 0.20 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.52 1gth h GLN 157 Cb 0.45 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.07 1gth h GLN 157 CO 0.01 0.49 -0.09 0.35 -1.93 0.00 0.00 178.83 177.67 1gth h PHE 158 N 0.31 -0.23 -0.67 3.99 3.57 -0.89 0.15 116.94 123.17 1gth h PHE 158 Ca 0.09 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.60 1gth h PHE 158 Cb 0.23 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 1gth h PHE 158 CO 0.00 -0.14 0.44 0.00 -2.23 0.00 0.00 178.31 176.37 1gth h ALA 159 N 0.59 0.85 -0.51 2.41 0.00 -1.45 -1.34 119.26 119.81 1gth h ALA 159 Ca -0.02 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1gth h ALA 159 Cb 0.19 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1gth h ALA 159 CO 0.03 0.25 -0.01 0.77 0.00 0.00 0.00 179.25 180.29 1gth h SER 160 N 0.88 0.83 -0.35 0.00 0.02 -1.26 -1.41 113.55 112.26 1gth h SER 160 Ca 0.25 -0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1gth h SER 160 Cb -0.08 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.23 1gth h SER 160 CO -0.06 0.90 0.11 -0.33 -1.14 0.00 0.00 176.83 176.30 1gth h GLU 161 N 0.79 0.55 -0.62 3.45 4.39 -0.20 0.02 114.58 122.97 1gth h GLU 161 Ca 0.15 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 1gth h GLU 161 Cb 0.49 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.03 1gth h GLU 161 CO 0.02 0.57 0.33 0.28 -1.16 0.00 0.00 179.01 179.05 1gth h VAL 162 N 0.42 1.20 -0.32 3.13 2.07 -1.08 -0.89 116.25 120.78 1gth h VAL 162 Ca 0.11 -0.53 0.01 0.00 0.82 0.00 0.00 66.70 67.11 1gth h VAL 162 Cb 0.25 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1gth h VAL 162 CO -0.00 0.23 0.19 0.15 0.02 0.00 0.00 177.57 178.15 1gth h PHE 163 N 0.84 0.36 -0.84 1.57 3.57 -0.97 -1.57 116.94 119.89 1gth h PHE 163 Ca 0.22 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.81 1gth h PHE 163 Cb 0.07 -0.11 -0.07 0.00 2.79 0.00 0.00 35.95 38.62 1gth h PHE 163 CO -0.01 0.21 0.50 -0.22 -2.23 0.00 0.00 178.31 176.56 1gth h LYS 164 N 0.39 0.82 0.00 1.11 3.64 -0.61 -0.13 116.57 121.80 1gth h LYS 164 Ca 0.12 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1gth h LYS 164 Cb -0.01 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.63 1gth h LYS 164 CO -0.06 0.54 -0.10 0.00 -2.27 0.00 0.00 179.45 177.57 1gth h ALA 165 N 1.45 1.11 0.00 5.00 0.00 -0.34 -1.91 119.26 124.57 1gth h ALA 165 Ca 0.40 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1gth h ALA 165 Cb 0.33 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1gth h ALA 165 CO -0.23 0.13 -0.06 0.52 0.00 0.00 0.00 179.25 179.61 1gth h MET 166 N 0.00 0.00 -6.04 0.00 2.86 -0.09 -3.47 114.93 108.19 1gth h MET 166 Ca -0.00 0.00 -0.40 0.00 -2.06 0.00 0.00 59.70 57.24 1gth h MET 166 Cb 0.45 0.00 0.09 0.00 0.06 0.00 0.00 31.60 32.20 1gth h MET 166 CO 0.01 0.06 -0.88 0.09 1.06 0.00 0.00 176.91 177.26 1gth n ASN 167 N -3.16 -3.56 -4.50 1.22 3.02 -0.72 -4.65 115.26 102.91 1gth n ASN 167 Ca 0.01 -0.88 -0.34 0.00 -0.03 0.00 0.00 54.58 53.34 1gth n ASN 167 Cb 0.37 -3.98 -0.12 0.00 -0.61 0.00 0.00 39.78 35.44 1gth n ASN 167 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1gth s ILE 168 N -3.56 3.79 0.61 2.41 1.01 -1.26 -1.70 121.20 122.50 1gth s ILE 168 Ca 0.25 -0.40 -0.09 0.00 0.00 0.00 0.00 60.65 60.41 1gth s ILE 168 Cb -0.07 -2.64 -0.01 0.00 0.01 0.00 0.00 42.46 39.75 1gth s ILE 168 CO 0.82 0.51 0.97 -2.16 0.00 0.00 0.00 174.94 175.08 1gth s PRO 169 N 0.18 3.18 0.27 2.79 0.04 -1.26 -5.03 135.00 135.17 1gth s PRO 169 Ca -0.03 0.36 -0.11 0.00 0.04 0.00 0.00 61.00 61.27 1gth s PRO 169 Cb -0.14 -2.17 -0.07 0.00 0.04 0.00 0.00 34.50 32.16 1gth s PRO 169 CO 0.03 -0.68 0.61 -1.14 0.04 0.00 0.00 177.00 175.86 1gth s GLN 170 N -5.11 3.84 0.13 4.56 0.74 -1.26 -4.18 119.66 118.37 1gth s GLN 170 Ca 0.54 0.36 0.01 0.00 0.05 0.00 0.00 55.36 56.32 1gth s GLN 170 Cb -0.11 -2.58 -0.04 0.00 1.10 0.00 0.00 33.01 31.38 1gth s GLN 170 CO 0.49 0.25 -0.01 0.96 -0.55 0.00 0.00 175.29 176.43 1gth s ILE 171 N -1.91 0.49 0.75 -2.34 -4.36 -0.46 -4.69 121.20 108.67 1gth s ILE 171 Ca 0.49 -1.93 -0.12 0.00 -0.26 0.00 0.00 60.65 58.84 1gth s ILE 171 Cb -0.11 -1.90 0.04 0.00 1.25 0.00 0.00 42.46 41.75 1gth s ILE 171 CO 0.21 -0.66 1.10 -0.13 0.24 0.00 0.00 174.94 175.71 1gth s ARG 172 N -3.92 2.36 0.00 0.37 0.52 -1.26 -4.26 118.95 112.76 1gth s ARG 172 Ca 0.18 1.24 -0.34 0.00 -0.52 0.00 0.00 55.73 56.30 1gth s ARG 172 Cb 0.06 -1.90 -0.12 0.00 0.52 0.00 0.00 34.95 33.51 1gth s ARG 172 CO -0.01 -1.57 1.79 -1.71 0.02 0.00 0.00 175.30 173.82 1gth n ASN 173 N -3.26 3.41 0.03 0.23 2.85 -1.26 -4.80 115.26 112.45 1gth n ASN 173 Ca 0.10 1.00 0.02 0.00 -0.11 0.00 0.00 54.58 55.59 1gth n ASN 173 Cb 0.53 -1.40 0.12 0.00 1.24 0.00 0.00 39.78 40.26 1gth n ASN 173 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1gth n PRO 174 N 5.65 0.03 0.08 1.20 -0.04 -1.26 -1.46 135.00 139.19 1gth n PRO 174 Ca 0.21 0.51 0.12 0.00 -0.04 0.00 0.00 63.50 64.29 1gth n PRO 174 Cb 0.30 -1.58 0.09 0.00 -0.04 0.00 0.00 33.50 32.27 1gth n PRO 174 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1gth s LEU 176 N -4.66 3.69 0.93 0.00 1.43 -0.54 -4.97 118.68 114.56 1gth s LEU 176 Ca 0.03 2.49 -0.11 0.00 -1.03 0.00 0.00 54.13 55.52 1gth s LEU 176 Cb 0.12 -4.54 0.15 0.00 0.03 0.00 0.00 46.19 41.96 1gth s LEU 176 CO 0.76 -1.64 1.10 -2.84 0.23 0.00 0.00 176.35 173.95 1gth s PRO 177 N -3.24 0.91 0.86 1.29 0.02 -1.26 -4.96 135.00 128.63 1gth s PRO 177 Ca 0.77 1.17 -0.10 0.00 0.02 0.00 0.00 61.00 62.86 1gth s PRO 177 Cb -0.33 -1.74 0.11 0.00 0.02 0.00 0.00 34.50 32.56 1gth s PRO 177 CO 0.37 -2.58 1.11 -1.54 -0.33 0.00 0.00 177.00 174.03 1gth s SER 178 N -2.95 3.54 0.19 2.53 1.04 -1.26 -4.80 113.70 112.00 1gth s SER 178 Ca 0.65 1.94 -0.22 0.00 0.48 0.00 0.00 55.95 58.80 1gth s SER 178 Cb -0.21 -2.50 0.11 0.00 0.10 0.00 0.00 66.02 63.52 1gth s SER 178 CO 0.59 -2.67 1.57 -0.61 0.98 0.00 0.00 173.24 173.11 1gth h GLN 179 N -1.57 -0.15 0.00 4.02 5.75 -1.98 -0.76 115.11 120.42 1gth h GLN 179 Ca -0.45 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.06 1gth h GLN 179 Cb 1.26 0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.84 1gth h GLN 179 CO 0.47 -0.10 0.00 0.93 -2.65 0.00 0.00 178.83 177.48 1gth h GLU 180 N -0.16 0.00 -0.02 1.69 3.07 -2.02 -2.74 114.58 114.40 1gth h GLU 180 Ca 0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.09 1gth h GLU 180 Cb 0.56 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 1gth h GLU 180 CO -0.73 0.00 -0.08 1.63 -1.40 0.00 0.00 179.01 178.43 1gth n LYS 181 N -2.46 1.80 -2.41 2.33 4.76 -0.32 -4.93 118.16 116.93 1gth n LYS 181 Ca 0.01 -1.31 -0.41 0.00 -2.87 0.00 0.00 58.31 53.73 1gth n LYS 181 Cb 0.23 -1.47 -0.04 0.00 -1.84 0.00 0.00 35.03 31.91 1gth n LYS 181 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1gth s MET 182 N -2.11 4.55 0.79 1.97 -1.94 -1.04 -4.89 119.30 116.64 1gth s MET 182 Ca 0.30 1.85 -0.15 0.00 -1.71 0.00 0.00 55.69 55.99 1gth s MET 182 Cb 0.20 -3.22 0.01 0.00 2.01 0.00 0.00 34.83 33.83 1gth s MET 182 CO 0.37 0.03 0.68 -2.30 -0.01 0.00 0.00 175.02 173.79 1gth n PRO 183 N 1.92 0.16 -0.31 2.03 -0.02 -1.26 -4.86 135.00 132.65 1gth n PRO 183 Ca 0.02 0.11 0.08 0.00 -2.02 0.00 0.00 63.50 61.69 1gth n PRO 183 Cb 0.45 -2.00 0.29 0.00 -0.02 0.00 0.00 33.50 32.22 1gth n PRO 183 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1gth h GLU 184 N -0.74 0.87 -1.08 -0.52 4.81 -1.98 -2.45 114.58 113.49 1gth h GLU 184 Ca -0.45 -0.05 0.29 0.00 -0.13 0.00 0.00 59.36 59.02 1gth h GLU 184 Cb 1.32 -0.20 -0.07 0.00 0.63 0.00 0.00 28.75 30.43 1gth h GLU 184 CO 0.42 0.57 0.73 0.00 -0.73 0.00 0.00 179.01 180.00 1gth h ALA 185 N 1.56 2.58 0.00 2.92 0.00 -1.95 0.08 119.26 124.45 1gth h ALA 185 Ca 0.45 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1gth h ALA 185 Cb 0.49 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1gth h ALA 185 CO -0.21 -0.95 0.00 0.66 0.00 0.00 0.00 179.25 178.75 1gth n TYR 186 N -4.45 0.00 0.44 0.00 4.02 -0.92 -2.06 117.16 114.19 1gth n TYR 186 Ca 0.25 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.26 1gth n TYR 186 Cb 1.01 -0.30 0.21 0.00 -0.02 0.00 0.00 39.34 40.25 1gth n TYR 186 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1gth n SER 187 N -1.30 3.33 -4.70 7.72 3.41 0.02 -1.72 113.62 120.38 1gth n SER 187 Ca 0.09 -1.98 -0.44 0.00 -0.26 0.00 0.00 58.87 56.28 1gth n SER 187 Cb 0.15 -0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 63.87 1gth n SER 187 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gth n ALA 188 N 1.43 1.93 -2.16 7.33 0.00 -0.88 -4.68 120.51 123.48 1gth n ALA 188 Ca 0.19 0.40 -0.42 0.00 0.00 0.00 0.00 53.44 53.61 1gth n ALA 188 Cb 0.60 -2.39 -0.03 0.00 0.00 0.00 0.00 19.45 17.63 1gth n ALA 188 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1gth s LYS 189 N 0.06 4.23 -0.06 0.00 1.02 -1.26 -4.51 119.74 119.22 1gth s LYS 189 Ca 0.70 2.01 0.04 0.00 0.02 0.00 0.00 55.97 58.75 1gth s LYS 189 Cb -0.58 -3.75 -0.02 0.00 -0.52 0.00 0.00 37.83 32.96 1gth s LYS 189 CO 0.44 -0.70 -0.18 0.42 -0.92 0.00 0.00 175.35 174.40 1gth s ILE 190 N 3.18 2.67 -0.02 2.17 1.01 -0.47 -0.83 121.20 128.91 1gth s ILE 190 Ca 0.66 -0.85 0.07 0.00 0.00 0.00 0.00 60.65 60.52 1gth s ILE 190 Cb -0.31 -2.03 -0.02 0.00 0.01 0.00 0.00 42.46 40.12 1gth s ILE 190 CO 0.26 0.58 -0.22 0.00 0.00 0.00 0.00 174.94 175.55 1gth s ALA 191 N -0.44 1.85 -0.03 9.38 0.00 -0.53 -1.69 121.76 130.30 1gth s ALA 191 Ca 0.05 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.09 1gth s ALA 191 Cb -0.12 -0.48 -0.00 0.00 0.00 0.00 0.00 23.12 22.52 1gth s ALA 191 CO 0.02 0.45 -0.14 -0.51 0.00 0.00 0.00 175.76 175.57 1gth s LEU 192 N -0.49 1.92 -0.23 0.00 1.02 0.16 -0.74 118.68 120.32 1gth s LEU 192 Ca 0.08 -0.28 -0.07 0.00 0.02 0.00 0.00 54.13 53.87 1gth s LEU 192 Cb -0.09 -0.79 -0.03 0.00 0.02 0.00 0.00 46.19 45.30 1gth s LEU 192 CO -0.01 0.14 0.07 -0.76 0.02 0.00 0.00 176.35 175.82 1gth s LEU 193 N -0.06 3.57 0.00 1.79 2.01 -0.08 -0.15 118.68 125.77 1gth s LEU 193 Ca -0.00 -0.11 0.00 0.00 0.01 0.00 0.00 54.13 54.02 1gth s LEU 193 Cb -0.09 -1.94 0.00 0.00 0.01 0.00 0.00 46.19 44.17 1gth s LEU 193 CO 0.01 0.03 0.00 0.61 1.01 0.00 0.00 176.35 178.01 1gth n GLY 194 N 4.50 -0.17 2.78 -3.19 0.00 0.11 -0.94 105.19 108.28 1gth n GLY 194 Ca -0.16 -1.17 -0.39 0.00 0.00 0.00 0.00 46.02 44.30 1gth n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gth n ALA 195 N 1.85 6.42 -3.36 4.61 0.00 -1.26 -4.48 120.51 124.29 1gth n ALA 195 Ca 0.00 -4.12 -0.20 0.00 0.00 0.00 0.00 53.44 49.12 1gth n ALA 195 Cb 0.00 -2.11 0.03 0.00 0.00 0.00 0.00 19.45 17.38 1gth n ALA 195 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gth n GLY 196 N -0.14 2.32 0.29 0.00 0.00 -1.26 -0.44 105.19 105.96 1gth n GLY 196 Ca 0.52 -2.23 0.08 0.00 0.00 0.00 0.00 46.02 44.39 1gth n GLY 196 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1gth h PRO 197 N 0.00 0.14 -0.18 1.61 0.11 -1.94 -0.15 132.00 131.60 1gth h PRO 197 Ca -0.24 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.86 1gth h PRO 197 Cb 0.98 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1gth h PRO 197 CO 0.35 0.10 0.11 0.00 -0.21 0.00 0.00 178.00 178.35 1gth h ALA 198 N 1.74 0.22 -0.15 -0.75 0.00 -1.89 -0.39 119.26 118.04 1gth h ALA 198 Ca 0.47 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 55.15 1gth h ALA 198 Cb 0.88 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1gth h ALA 198 CO -0.66 -0.27 -0.70 0.77 0.00 0.00 0.00 179.25 178.39 1gth h SER 199 N 0.21 0.75 -0.66 0.00 0.02 -1.64 -1.23 113.55 110.99 1gth h SER 199 Ca 0.06 -0.47 -0.02 0.00 -0.84 0.00 0.00 61.79 60.53 1gth h SER 199 Cb 0.02 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 1gth h SER 199 CO -0.01 1.23 0.34 0.40 -1.14 0.00 0.00 176.83 177.65 1gth h ILE 200 N 0.45 1.22 0.29 3.27 2.04 -0.97 0.15 117.51 123.96 1gth h ILE 200 Ca -0.03 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 1gth h ILE 200 Cb 1.30 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1gth h ILE 200 CO 0.14 0.25 -0.14 -1.28 0.00 0.00 0.00 178.15 177.11 1gth h SER 201 N 0.91 -0.33 -0.27 1.72 0.87 -1.02 -1.76 113.55 113.66 1gth h SER 201 Ca 0.23 -0.13 0.05 0.00 -1.23 0.00 0.00 61.79 60.70 1gth h SER 201 Cb 0.09 0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.09 1gth h SER 201 CO -0.03 -0.05 0.00 0.00 -0.53 0.00 0.00 176.83 176.22 1gth h ALA 203 N 1.23 1.24 0.09 0.00 0.00 -0.73 -2.02 119.26 119.07 1gth h ALA 203 Ca 0.13 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1gth h ALA 203 Cb 0.17 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1gth h ALA 203 CO -0.21 0.55 -0.04 0.77 0.00 0.00 0.00 179.25 180.32 1gth h SER 204 N 0.90 -0.10 -0.75 0.00 0.02 -0.71 -0.70 113.55 112.21 1gth h SER 204 Ca 0.21 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.08 1gth h SER 204 Cb 0.19 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 1gth h SER 204 CO -0.02 -0.04 0.23 -0.26 -1.14 0.00 0.00 176.83 175.60 1gth h PHE 205 N -0.14 1.21 -0.82 3.45 -1.00 -1.23 -0.23 116.94 118.18 1gth h PHE 205 Ca -0.01 -0.13 0.01 0.00 2.81 0.00 0.00 57.97 60.65 1gth h PHE 205 Cb 0.11 -0.35 -0.04 0.00 3.61 0.00 0.00 35.95 39.28 1gth h PHE 205 CO -0.06 0.96 0.54 -0.07 -1.61 0.00 0.00 178.31 178.06 1gth h LEU 206 N 1.12 0.94 -0.97 1.54 3.38 -1.24 -0.96 115.31 119.11 1gth h LEU 206 Ca 0.24 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.11 1gth h LEU 206 Cb 0.32 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1gth h LEU 206 CO -0.01 0.68 -0.10 0.00 0.09 0.00 0.00 178.44 179.10 1gth h ALA 207 N 1.30 1.14 -0.58 1.53 0.00 -0.58 -2.27 119.26 119.80 1gth h ALA 207 Ca 0.30 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1gth h ALA 207 Cb -0.12 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1gth h ALA 207 CO -0.07 0.54 0.16 0.00 0.00 0.00 0.00 179.25 179.89 1gth h ARG 208 N 0.59 0.89 0.00 0.00 3.08 -0.05 -2.09 114.38 116.79 1gth h ARG 208 Ca 0.11 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1gth h ARG 208 Cb 0.52 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1gth h ARG 208 CO 0.03 0.78 0.00 1.28 -1.07 0.00 0.00 179.97 180.99 1gth n LEU 209 N -4.27 0.67 0.00 3.04 4.77 -0.46 -4.62 117.00 116.12 1gth n LEU 209 Ca 0.04 0.68 0.00 0.00 -0.03 0.00 0.00 56.01 56.70 1gth n LEU 209 Cb 0.22 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1gth n LEU 209 CO 0.40 -0.61 0.00 0.61 -1.33 0.00 0.00 177.39 176.46 1gth n GLY 210 N -0.16 0.86 3.70 -0.72 0.00 -0.79 -5.08 105.19 103.01 1gth n GLY 210 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1gth n GLY 210 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gth s TYR 211 N -2.00 2.93 -2.46 1.61 1.51 -1.03 -4.86 117.35 113.04 1gth s TYR 211 Ca 0.00 0.75 0.21 0.00 -1.01 0.00 0.00 57.07 57.03 1gth s TYR 211 Cb 0.00 -3.75 0.28 0.00 -0.11 0.00 0.00 41.96 38.38 1gth s TYR 211 CO 0.00 -2.78 1.26 -1.13 -1.11 0.00 0.00 175.55 171.79 1gth n SER 212 N 4.79 3.04 -3.41 2.29 3.41 -0.70 -4.51 113.62 118.54 1gth n SER 212 Ca 0.13 -1.92 -0.26 0.00 -0.26 0.00 0.00 58.87 56.56 1gth n SER 212 Cb 0.42 -0.11 -0.09 0.00 -0.26 0.00 0.00 64.21 64.17 1gth n SER 212 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1gth n ASP 213 N 1.27 1.03 -4.37 4.04 -0.08 -1.26 -5.00 116.55 112.18 1gth n ASP 213 Ca 0.15 -2.80 -0.33 0.00 -1.51 0.00 0.00 54.79 50.30 1gth n ASP 213 Cb 0.55 -0.64 -0.14 0.00 2.34 0.00 0.00 41.12 43.23 1gth n ASP 213 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1gth s ILE 214 N -1.05 3.09 -0.04 5.18 1.01 -1.26 -1.37 121.20 126.76 1gth s ILE 214 Ca 0.34 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.36 1gth s ILE 214 Cb 0.09 -2.30 0.01 0.00 0.01 0.00 0.00 42.46 40.27 1gth s ILE 214 CO -0.13 0.52 -0.08 -0.89 0.00 0.00 0.00 174.94 174.36 1gth s THR 215 N 0.38 0.74 -0.21 2.92 2.01 -0.68 -1.05 115.64 119.75 1gth s THR 215 Ca -0.10 -0.28 -0.06 0.00 0.31 0.00 0.00 61.69 61.56 1gth s THR 215 Cb -0.16 -0.71 -0.03 0.00 0.01 0.00 0.00 72.50 71.62 1gth s THR 215 CO 0.05 0.26 0.02 -0.63 -0.69 0.00 0.00 174.62 173.63 1gth s ILE 216 N 0.61 4.13 -0.32 1.82 1.01 0.77 -0.66 121.20 128.56 1gth s ILE 216 Ca -0.10 -0.25 -0.11 0.00 0.00 0.00 0.00 60.65 60.19 1gth s ILE 216 Cb -0.13 -2.88 -0.02 0.00 0.01 0.00 0.00 42.46 39.45 1gth s ILE 216 CO 0.01 0.42 0.19 -0.36 0.00 0.00 0.00 174.94 175.19 1gth s PHE 217 N 1.02 3.20 -0.15 3.97 0.40 0.79 -0.67 117.98 126.54 1gth s PHE 217 Ca 0.02 -0.35 -0.03 0.00 -0.60 0.00 0.00 56.93 55.98 1gth s PHE 217 Cb -0.14 -2.40 -0.02 0.00 0.51 0.00 0.00 43.02 40.97 1gth s PHE 217 CO 0.02 -0.38 -0.06 -2.00 0.70 0.00 0.00 175.22 173.50 1gth s GLU 218 N 1.67 3.58 0.08 0.44 2.56 -0.19 -0.71 118.70 126.13 1gth s GLU 218 Ca 0.05 -0.57 -0.29 0.00 0.00 0.00 0.00 54.97 54.17 1gth s GLU 218 Cb -0.17 -2.85 -0.17 0.00 2.00 0.00 0.00 34.13 32.94 1gth s GLU 218 CO 0.08 0.20 1.67 -0.22 -0.56 0.00 0.00 175.26 176.44 1gth h LYS 219 N 6.80 -0.53 -7.53 4.30 3.64 -1.71 0.15 116.57 121.69 1gth h LYS 219 Ca -0.30 0.04 -0.43 0.00 -1.27 0.00 0.00 60.65 58.69 1gth h LYS 219 Cb 1.19 0.12 0.18 0.00 -0.41 0.00 0.00 32.23 33.31 1gth h LYS 219 CO 0.61 -0.35 0.23 -0.65 -2.27 0.00 0.00 179.45 177.02 1gth s GLN 220 N -6.11 -0.51 0.15 1.90 -1.52 -1.26 -3.08 119.66 109.22 1gth s GLN 220 Ca -0.16 -0.15 0.23 0.00 -1.95 0.00 0.00 55.36 53.33 1gth s GLN 220 Cb 0.05 -1.69 0.19 0.00 -0.22 0.00 0.00 33.01 31.34 1gth s GLN 220 CO 0.64 -3.23 1.19 1.05 -0.25 0.00 0.00 175.29 174.69 1gth h GLU 221 N -2.23 0.00 -6.16 2.91 4.11 -1.95 -2.89 114.58 108.37 1gth h GLU 221 Ca -0.45 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.44 1gth h GLU 221 Cb 1.28 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.48 1gth h GLU 221 CO 0.37 0.00 -0.51 1.52 0.07 0.00 0.00 179.01 180.46 1gth s TYR 222 N -3.24 3.27 0.32 2.06 -0.85 -1.26 -4.95 117.35 112.70 1gth s TYR 222 Ca 0.04 -0.00 0.09 0.00 -0.52 0.00 0.00 57.07 56.68 1gth s TYR 222 Cb 0.12 -1.54 -0.05 0.00 0.38 0.00 0.00 41.96 40.87 1gth s TYR 222 CO 0.75 0.51 -0.00 0.14 -1.52 0.00 0.00 175.55 175.43 1gth s VAL 223 N -1.86 2.81 0.00 -3.49 -7.23 -1.26 -4.78 120.40 104.60 1gth s VAL 223 Ca 0.33 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.52 1gth s VAL 223 Cb -0.10 -2.77 0.00 0.00 0.56 0.00 0.00 36.38 34.07 1gth s VAL 223 CO 0.26 -0.25 0.00 0.61 -0.31 0.00 0.00 175.10 175.41 1gth n GLY 224 N -0.93 0.67 7.00 2.32 0.00 0.42 -4.69 105.19 109.98 1gth n GLY 224 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1gth n GLY 224 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gth n GLY 225 N -1.12 2.11 0.31 -0.02 0.00 -1.06 -2.74 105.19 102.67 1gth n GLY 225 Ca 0.00 -0.49 0.16 0.00 0.00 0.00 0.00 46.02 45.70 1gth n GLY 225 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1gth h LEU 226 N 0.00 0.00 -1.98 0.99 3.38 -1.95 0.56 115.31 116.31 1gth h LEU 226 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1gth h LEU 226 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1gth h LEU 226 CO 0.00 0.00 -0.10 0.28 0.09 0.00 0.00 178.44 178.71 1gth h SER 227 N 0.00 0.00 0.00 -0.43 0.02 -1.89 -1.58 113.55 109.67 1gth h SER 227 Ca 0.02 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.55 1gth h SER 227 Cb 0.12 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.60 1gth h SER 227 CO -0.00 0.10 -2.36 0.41 -1.14 0.00 0.00 176.83 173.84 1gth n THR 228 N -3.98 1.53 0.21 -2.27 -1.04 0.01 -4.40 114.28 104.34 1gth n THR 228 Ca -0.02 -0.33 0.10 0.00 -2.04 0.00 0.00 64.05 61.76 1gth n THR 228 Cb 0.19 -1.92 0.33 0.00 -1.82 0.00 0.00 70.33 67.10 1gth n THR 228 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1gth h SER 229 N -1.00 0.00 0.00 8.00 4.64 -1.10 -3.42 113.55 120.67 1gth h SER 229 Ca -0.64 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.68 1gth h SER 229 Cb 1.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.64 1gth h SER 229 CO -0.39 0.19 -0.38 -0.62 -0.87 0.00 0.00 176.83 174.77 1gth n GLU 230 N -3.23 0.77 -1.87 4.77 1.02 -0.74 -2.69 120.64 118.67 1gth n GLU 230 Ca 0.02 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.73 1gth n GLU 230 Cb 0.50 -0.69 -0.03 0.00 -0.02 0.00 0.00 31.44 31.20 1gth n GLU 230 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1gth s ILE 231 N -1.38 3.10 0.41 -3.67 1.01 -0.67 -4.88 121.20 115.11 1gth s ILE 231 Ca 0.00 0.40 -0.25 0.00 0.00 0.00 0.00 60.65 60.80 1gth s ILE 231 Cb 0.00 -3.26 -0.11 0.00 0.01 0.00 0.00 42.46 39.11 1gth s ILE 231 CO 0.00 -0.02 1.06 -2.65 0.00 0.00 0.00 174.94 173.34 1gth n PRO 232 N 6.31 1.47 0.26 2.79 -0.02 -1.26 -4.73 135.00 139.82 1gth n PRO 232 Ca 0.17 0.53 0.10 0.00 -2.02 0.00 0.00 63.50 62.28 1gth n PRO 232 Cb 0.41 -2.09 0.72 0.00 -0.02 0.00 0.00 33.50 32.51 1gth n PRO 232 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1gth h GLN 233 N 1.70 0.00 0.00 -0.52 5.75 -1.91 0.34 115.11 120.47 1gth h GLN 233 Ca -0.45 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.05 1gth h GLN 233 Cb 1.33 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.88 1gth h GLN 233 CO 0.58 0.00 0.00 1.97 -2.65 0.00 0.00 178.83 178.73 1gth n PHE 234 N -4.34 0.00 0.00 3.99 1.16 -1.25 -3.41 117.46 113.61 1gth n PHE 234 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.56 1gth n PHE 234 Cb 0.11 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.98 1gth n PHE 234 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1gth n ARG 235 N -0.81 0.29 -3.59 3.97 1.74 -0.30 -1.97 116.66 115.97 1gth n ARG 235 Ca 0.14 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.93 1gth n ARG 235 Cb 0.07 -0.93 -0.15 0.00 -1.02 0.00 0.00 32.46 30.43 1gth n ARG 235 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1gth s LEU 236 N -4.62 1.03 0.29 0.55 2.96 -0.05 -4.77 118.68 114.07 1gth s LEU 236 Ca 0.00 -1.40 -0.30 0.00 -0.22 0.00 0.00 54.13 52.21 1gth s LEU 236 Cb 0.00 -0.50 -0.12 0.00 0.50 0.00 0.00 46.19 46.08 1gth s LEU 236 CO 0.00 -0.43 1.59 -2.65 -1.32 0.00 0.00 176.35 173.54 1gth n PRO 237 N 5.13 2.69 -0.03 0.98 -0.02 -1.23 -4.32 135.00 138.21 1gth n PRO 237 Ca -0.05 0.96 0.12 0.00 -2.02 0.00 0.00 63.50 62.51 1gth n PRO 237 Cb 0.42 -2.74 0.54 0.00 -0.02 0.00 0.00 33.50 31.71 1gth n PRO 237 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1gth h TYR 238 N 4.75 0.32 -0.67 6.00 3.20 -1.92 -0.99 116.97 127.67 1gth h TYR 238 Ca -0.47 0.01 0.19 0.00 3.14 0.00 0.00 58.73 61.60 1gth h TYR 238 Cb 1.23 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 39.36 1gth h TYR 238 CO 0.58 0.16 0.48 0.22 -1.64 0.00 0.00 178.16 177.96 1gth h ASP 239 N 0.30 0.03 -0.16 -2.11 3.58 -1.89 -0.77 116.42 115.40 1gth h ASP 239 Ca 0.24 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.64 1gth h ASP 239 Cb 0.53 -0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.57 1gth h ASP 239 CO -0.05 0.01 -0.09 0.58 -2.88 0.00 0.00 179.24 176.81 1gth h VAL 240 N 0.03 1.32 -0.57 2.25 2.07 -1.54 -2.36 116.25 117.46 1gth h VAL 240 Ca 0.32 -1.16 0.02 0.00 0.82 0.00 0.00 66.70 66.69 1gth h VAL 240 Cb 1.24 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 32.73 1gth h VAL 240 CO -0.01 0.34 0.36 0.58 0.02 0.00 0.00 177.57 178.86 1gth h VAL 241 N 0.01 1.11 -0.77 2.57 2.07 -1.26 -2.23 116.25 117.74 1gth h VAL 241 Ca 0.03 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1gth h VAL 241 Cb 0.58 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 1gth h VAL 241 CO 0.03 0.13 0.46 -1.13 0.02 0.00 0.00 177.57 177.08 1gth h ASN 242 N 0.73 0.92 -0.17 0.57 -0.73 -1.35 -1.38 115.58 114.17 1gth h ASN 242 Ca 0.22 -0.05 -0.00 0.00 1.87 0.00 0.00 56.30 58.33 1gth h ASN 242 Cb -0.04 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.31 1gth h ASN 242 CO -0.07 0.71 0.10 0.15 -0.37 0.00 0.00 177.43 177.95 1gth h PHE 243 N 1.06 0.22 -0.06 0.67 3.57 -0.86 -1.75 116.94 119.79 1gth h PHE 243 Ca 0.28 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.66 1gth h PHE 243 Cb -0.04 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 1gth h PHE 243 CO 0.00 0.20 -0.50 0.93 -2.23 0.00 0.00 178.31 176.71 1gth h GLU 244 N 0.18 0.16 -0.32 1.11 5.08 -1.12 -2.25 114.58 117.43 1gth h GLU 244 Ca 0.06 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1gth h GLU 244 Cb 0.04 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1gth h GLU 244 CO -0.01 0.62 -0.05 0.82 -1.00 0.00 0.00 179.01 179.39 1gth h ILE 245 N 0.13 1.27 -0.24 3.13 1.08 -1.12 -2.59 117.51 119.18 1gth h ILE 245 Ca 0.00 -1.07 -0.08 0.00 -0.39 0.00 0.00 64.86 63.33 1gth h ILE 245 Cb 0.93 1.33 -0.01 0.00 -3.07 0.00 0.00 36.82 35.99 1gth h ILE 245 CO 0.07 0.35 -0.19 -0.33 -0.69 0.00 0.00 178.15 177.36 1gth h GLU 246 N 0.37 0.41 -0.81 2.37 4.39 -1.19 -1.29 114.58 118.83 1gth h GLU 246 Ca 0.08 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1gth h GLU 246 Cb 0.53 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.10 1gth h GLU 246 CO 0.03 0.59 0.40 -0.07 -1.16 0.00 0.00 179.01 178.80 1gth h LEU 247 N 0.38 1.05 -0.48 1.33 3.38 -1.27 -1.45 115.31 118.25 1gth h LEU 247 Ca 0.07 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1gth h LEU 247 Cb 0.55 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1gth h LEU 247 CO 0.04 0.88 0.08 -0.03 0.09 0.00 0.00 178.44 179.49 1gth h MET 248 N 1.14 0.79 0.00 1.13 4.05 -1.03 -2.63 114.93 118.38 1gth h MET 248 Ca 0.28 -0.21 -0.01 0.00 -0.28 0.00 0.00 59.70 59.48 1gth h MET 248 Cb 0.09 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 30.80 1gth h MET 248 CO -0.04 0.80 -0.06 0.87 0.23 0.00 0.00 176.91 178.71 1gth h LYS 249 N 0.66 0.00 0.00 0.39 1.57 -0.75 -1.08 116.57 117.36 1gth h LYS 249 Ca 0.15 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1gth h LYS 249 Cb 0.39 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 1gth h LYS 249 CO 0.01 0.06 -0.01 -0.44 -0.57 0.00 0.00 179.45 178.50 1gth h ASP 250 N 0.00 0.00 -0.42 0.86 3.32 -0.88 -0.05 116.42 119.25 1gth h ASP 250 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1gth h ASP 250 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1gth h ASP 250 CO 0.01 0.01 0.00 0.18 -1.72 0.00 0.00 179.24 177.72 1gth n LEU 251 N -3.47 2.55 0.00 1.55 4.77 -0.41 -4.86 117.00 117.13 1gth n LEU 251 Ca -0.03 -1.22 0.00 0.00 -0.03 0.00 0.00 56.01 54.73 1gth n LEU 251 Cb 0.10 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1gth n LEU 251 CO 0.24 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 1gth n GLY 252 N 1.28 0.94 3.71 -0.72 0.00 -0.03 -4.95 105.19 105.43 1gth n GLY 252 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1gth n GLY 252 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1gth n VAL 253 N -2.00 0.80 -4.10 1.61 0.31 -1.25 -4.75 118.33 108.94 1gth n VAL 253 Ca 0.00 -0.20 -0.33 0.00 -0.01 0.00 0.00 64.34 63.80 1gth n VAL 253 Cb 0.00 -1.78 -0.07 0.00 -0.91 0.00 0.00 33.84 31.08 1gth n VAL 253 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1gth s LYS 254 N -0.17 3.09 -0.08 5.55 1.02 -0.21 -4.61 119.74 124.34 1gth s LYS 254 Ca 0.68 -0.46 0.02 0.00 0.02 0.00 0.00 55.97 56.23 1gth s LYS 254 Cb -0.56 -2.88 0.01 0.00 -0.52 0.00 0.00 37.83 33.89 1gth s LYS 254 CO 0.46 0.66 -0.13 0.42 -0.92 0.00 0.00 175.35 175.84 1gth s ILE 255 N -1.18 1.25 -0.21 2.17 1.01 -1.26 -0.16 121.20 122.81 1gth s ILE 255 Ca 0.22 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.36 1gth s ILE 255 Cb -0.12 -1.14 0.05 0.00 0.01 0.00 0.00 42.46 41.25 1gth s ILE 255 CO 0.13 0.38 -0.10 -0.63 0.00 0.00 0.00 174.94 174.72 1gth s ILE 256 N 0.77 1.74 0.58 2.92 1.01 0.16 -4.95 121.20 123.44 1gth s ILE 256 Ca -0.12 -1.13 -0.04 0.00 0.00 0.00 0.00 60.65 59.36 1gth s ILE 256 Cb -0.16 -1.83 0.02 0.00 0.01 0.00 0.00 42.46 40.51 1gth s ILE 256 CO 0.02 0.13 0.86 0.00 0.00 0.00 0.00 174.94 175.95 1gth n GLY 258 N -2.52 0.47 3.16 0.00 0.00 0.43 -4.86 105.19 101.87 1gth n GLY 258 Ca 0.05 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 1gth n GLY 258 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gth s LYS 259 N -0.57 3.05 0.16 1.61 -0.14 -0.71 -4.95 119.74 118.19 1gth s LYS 259 Ca 0.00 -0.81 0.08 0.00 -1.36 0.00 0.00 55.97 53.88 1gth s LYS 259 Cb 0.00 -2.59 -0.04 0.00 -1.68 0.00 0.00 37.83 33.52 1gth s LYS 259 CO 0.00 -0.16 -0.06 -1.12 -0.76 0.00 0.00 175.35 173.25 1gth s SER 260 N 1.19 4.48 -0.31 2.83 0.01 -1.26 -2.01 113.70 118.63 1gth s SER 260 Ca 0.02 -0.47 -0.19 0.00 1.31 0.00 0.00 55.95 56.62 1gth s SER 260 Cb -0.14 -0.86 -0.01 0.00 0.21 0.00 0.00 66.02 65.23 1gth s SER 260 CO -0.09 0.12 0.58 -0.22 0.41 0.00 0.00 173.24 174.04 1gth s LEU 261 N -2.72 4.16 -0.27 2.44 2.96 -1.26 -1.66 118.68 122.33 1gth s LEU 261 Ca 0.25 0.35 -0.30 0.00 -0.22 0.00 0.00 54.13 54.21 1gth s LEU 261 Cb -0.10 -2.73 0.18 0.00 0.50 0.00 0.00 46.19 44.04 1gth s LEU 261 CO 0.16 -0.44 1.33 -0.55 -1.32 0.00 0.00 176.35 175.53 1gth s SER 262 N 1.65 -0.06 0.16 3.68 0.15 0.67 -4.61 113.70 115.34 1gth s SER 262 Ca 0.23 0.06 -0.34 0.00 0.70 0.00 0.00 55.95 56.60 1gth s SER 262 Cb -0.15 0.05 -0.15 0.00 -1.71 0.00 0.00 66.02 64.06 1gth s SER 262 CO 0.12 -0.06 1.41 1.21 1.20 0.00 0.00 173.24 177.11 1gth n GLU 263 N 0.46 1.69 -1.52 5.44 2.13 0.14 0.66 120.64 129.64 1gth n GLU 263 Ca -0.00 0.61 -0.11 0.00 0.66 0.00 0.00 57.16 58.32 1gth n GLU 263 Cb 0.59 -2.27 -0.04 0.00 0.27 0.00 0.00 31.44 29.99 1gth n GLU 263 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1gth n ASN 264 N 2.68 -4.11 0.00 4.31 3.02 -1.26 -4.89 115.26 115.01 1gth n ASN 264 Ca 0.16 0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.91 1gth n ASN 264 Cb 0.26 -2.74 0.00 0.00 -0.61 0.00 0.00 39.78 36.68 1gth n ASN 264 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1gth n GLU 265 N -2.53 0.00 -3.80 3.52 1.02 0.21 -5.10 120.64 113.96 1gth n GLU 265 Ca -0.11 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.67 1gth n GLU 265 Cb 0.41 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.76 1gth n GLU 265 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1gth s ILE 266 N 2.68 5.43 0.20 -3.67 1.01 -0.66 -4.84 121.20 121.35 1gth s ILE 266 Ca 0.00 0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.85 1gth s ILE 266 Cb 0.00 -3.43 -0.05 0.00 0.01 0.00 0.00 42.46 39.00 1gth s ILE 266 CO 0.00 0.52 0.06 0.42 0.00 0.00 0.00 174.94 175.94 1gth s THR 267 N -0.24 0.45 0.32 2.92 -4.23 -1.26 -0.24 115.64 113.36 1gth s THR 267 Ca 0.11 -1.98 0.02 0.00 -1.18 0.00 0.00 61.69 58.66 1gth s THR 267 Cb -0.11 -2.35 0.19 0.00 1.34 0.00 0.00 72.50 71.57 1gth s THR 267 CO 0.01 -0.24 1.90 -0.07 -0.54 0.00 0.00 174.62 175.67 1gth h LEU 268 N 2.60 0.67 -0.30 4.79 3.38 -1.70 -1.16 115.31 123.58 1gth h LEU 268 Ca -0.37 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.44 1gth h LEU 268 Cb 1.23 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1gth h LEU 268 CO 0.60 0.63 -0.08 0.78 0.09 0.00 0.00 178.44 180.45 1gth h ASN 269 N 0.72 0.60 -0.47 -0.43 2.35 -1.83 -0.56 115.58 115.96 1gth h ASN 269 Ca 0.17 -0.37 -0.08 0.00 -0.55 0.00 0.00 56.30 55.47 1gth h ASN 269 Cb 0.19 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 1gth h ASN 269 CO -0.01 0.83 0.02 0.71 -1.65 0.00 0.00 177.43 177.33 1gth h THR 270 N 0.36 1.25 -0.36 2.81 1.35 -1.87 0.22 112.91 116.67 1gth h THR 270 Ca 0.08 -1.03 -0.06 0.00 -0.55 0.00 0.00 66.41 64.85 1gth h THR 270 Cb 0.58 0.83 -0.01 0.00 -1.73 0.00 0.00 68.15 67.81 1gth h THR 270 CO 0.03 0.37 -0.00 -0.07 -0.25 0.00 0.00 175.52 175.60 1gth h LEU 271 N 0.81 0.63 -0.66 3.87 3.38 -1.13 -1.21 115.31 121.00 1gth h LEU 271 Ca 0.16 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1gth h LEU 271 Cb 0.46 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1gth h LEU 271 CO 0.02 0.78 0.35 0.50 0.09 0.00 0.00 178.44 180.18 1gth h LYS 272 N 0.45 0.93 0.00 1.13 3.64 -0.79 -2.01 116.57 119.92 1gth h LYS 272 Ca 0.10 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1gth h LYS 272 Cb 0.46 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1gth h LYS 272 CO 0.02 0.72 -0.16 0.93 -2.27 0.00 0.00 179.45 178.68 1gth h GLU 273 N 0.91 0.00 -0.00 1.90 5.08 -0.81 -2.49 114.58 119.16 1gth h GLU 273 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1gth h GLU 273 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1gth h GLU 273 CO -0.03 0.16 -0.11 0.39 -1.00 0.00 0.00 179.01 178.42 1gth n GLU 274 N -3.41 0.80 0.00 2.33 1.02 -0.47 -4.93 120.64 115.98 1gth n GLU 274 Ca -0.00 -0.31 0.00 0.00 -0.02 0.00 0.00 57.16 56.83 1gth n GLU 274 Cb 0.35 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 1gth n GLU 274 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1gth n GLY 275 N 1.26 0.48 3.73 0.62 0.00 -0.94 -5.07 105.19 105.28 1gth n GLY 275 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1gth n GLY 275 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gth s TYR 276 N -2.00 2.92 -0.20 1.61 1.51 -0.86 -4.60 117.35 115.72 1gth s TYR 276 Ca 0.00 0.60 0.21 0.00 -1.01 0.00 0.00 57.07 56.87 1gth s TYR 276 Cb 0.00 -4.04 -0.05 0.00 -0.11 0.00 0.00 41.96 37.77 1gth s TYR 276 CO 0.00 -3.73 0.96 1.63 -1.11 0.00 0.00 175.55 173.30 1gth n LYS 277 N 3.33 0.61 -3.69 -0.62 4.76 -0.01 -4.59 118.16 117.95 1gth n LYS 277 Ca 0.12 0.13 -0.14 0.00 -2.87 0.00 0.00 58.31 55.55 1gth n LYS 277 Cb 0.37 -1.81 -0.08 0.00 -1.84 0.00 0.00 35.03 31.68 1gth n LYS 277 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1gth s ALA 278 N -3.28 -1.05 -0.01 7.82 0.00 -1.23 -4.81 121.76 119.20 1gth s ALA 278 Ca -0.01 0.55 -0.01 0.00 0.00 0.00 0.00 51.96 52.48 1gth s ALA 278 Cb 0.10 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.33 1gth s ALA 278 CO 0.80 -0.32 0.03 0.00 0.00 0.00 0.00 175.76 176.27 1gth s ALA 279 N -1.50 -0.06 -0.14 0.00 0.00 -0.39 -1.46 121.76 118.22 1gth s ALA 279 Ca -0.12 0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.98 1gth s ALA 279 Cb -0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 1gth s ALA 279 CO 0.04 -0.03 -0.14 0.12 0.00 0.00 0.00 175.76 175.75 1gth s PHE 280 N 0.20 2.79 -0.40 0.00 5.36 0.08 -0.37 117.98 125.63 1gth s PHE 280 Ca -0.02 -0.80 -0.16 0.00 -0.96 0.00 0.00 56.93 54.99 1gth s PHE 280 Cb -0.02 -1.86 0.01 0.00 -0.34 0.00 0.00 43.02 40.81 1gth s PHE 280 CO -0.01 -0.32 0.39 0.42 -1.46 0.00 0.00 175.22 174.24 1gth s ILE 281 N 0.53 5.15 -0.35 3.12 -1.09 0.23 -0.90 121.20 127.89 1gth s ILE 281 Ca -0.09 -0.35 0.15 0.00 -2.23 0.00 0.00 60.65 58.13 1gth s ILE 281 Cb -0.16 -3.97 0.44 0.00 -1.58 0.00 0.00 42.46 37.19 1gth s ILE 281 CO 0.04 -0.33 0.95 0.61 -1.23 0.00 0.00 174.94 174.98 1gth n GLY 282 N 5.10 2.44 0.32 6.18 0.00 -0.11 -2.00 105.19 117.12 1gth n GLY 282 Ca -0.09 -1.57 0.14 0.00 0.00 0.00 0.00 46.02 44.50 1gth n GLY 282 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1gth n ILE 283 N -0.09 0.00 -4.84 -0.61 -5.35 -1.16 -4.30 119.36 103.01 1gth n ILE 283 Ca 0.15 -0.16 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 1gth n ILE 283 Cb 0.77 0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.99 1gth n ILE 283 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1gth n GLY 284 N 1.23 0.77 3.00 3.28 0.00 -1.26 -4.17 105.19 108.05 1gth n GLY 284 Ca 0.16 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 1gth n GLY 284 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gth s LEU 285 N 0.00 5.01 0.63 0.99 1.43 -1.26 -4.03 118.68 121.45 1gth s LEU 285 Ca 0.00 -3.48 0.40 0.00 -1.03 0.00 0.00 54.13 50.02 1gth s LEU 285 Cb 0.00 -1.75 2.16 0.00 0.03 0.00 0.00 46.19 46.63 1gth s LEU 285 CO 0.00 -0.19 2.22 1.55 0.23 0.00 0.00 176.35 180.16 1gth h PRO 286 N 6.07 0.00 -6.54 1.29 0.13 -1.72 -3.38 132.00 127.85 1gth h PRO 286 Ca 0.08 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.53 1gth h PRO 286 Cb 0.83 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 31.76 1gth h PRO 286 CO 0.75 0.00 -0.78 -1.21 -0.23 0.00 0.00 178.00 176.52 1gth s GLU 287 N -4.06 2.13 0.40 0.86 2.02 -0.56 -4.97 118.70 114.51 1gth s GLU 287 Ca -0.04 -0.96 -0.25 0.00 0.02 0.00 0.00 54.97 53.74 1gth s GLU 287 Cb 0.11 -2.24 -0.09 0.00 0.10 0.00 0.00 34.13 32.02 1gth s GLU 287 CO 0.36 0.54 1.12 -1.25 0.02 0.00 0.00 175.26 176.05 1gth s PRO 288 N -1.54 4.09 -0.33 0.39 0.04 -1.26 0.76 135.00 137.15 1gth s PRO 288 Ca 0.16 1.70 -0.29 0.00 0.04 0.00 0.00 61.00 62.61 1gth s PRO 288 Cb -0.11 -2.62 0.02 0.00 0.04 0.00 0.00 34.50 31.83 1gth s PRO 288 CO 0.07 -0.25 1.07 0.21 0.04 0.00 0.00 177.00 178.14 1gth s LYS 289 N -2.37 4.04 0.57 4.56 2.20 -0.45 -4.66 119.74 123.62 1gth s LYS 289 Ca 0.57 1.03 0.07 0.00 -0.36 0.00 0.00 55.97 57.28 1gth s LYS 289 Cb -0.27 -3.75 0.08 0.00 -1.51 0.00 0.00 37.83 32.38 1gth s LYS 289 CO 0.34 -0.93 0.78 0.95 -0.36 0.00 0.00 175.35 176.13 1gth s THR 290 N 3.70 2.34 -0.12 3.43 -4.23 -1.26 -4.56 115.64 114.93 1gth s THR 290 Ca 0.45 -0.92 -0.12 0.00 -1.18 0.00 0.00 61.69 59.92 1gth s THR 290 Cb -0.12 -2.42 0.03 0.00 1.34 0.00 0.00 72.50 71.34 1gth s THR 290 CO 0.16 0.00 0.35 -0.62 -0.54 0.00 0.00 174.62 173.97 1gth s ASP 291 N -4.60 -0.35 0.14 3.99 -1.08 -1.26 -5.07 116.67 108.43 1gth s ASP 291 Ca 0.61 0.67 -0.23 0.00 -0.52 0.00 0.00 52.55 53.08 1gth s ASP 291 Cb -0.07 0.69 -0.01 0.00 -1.46 0.00 0.00 42.92 42.07 1gth s ASP 291 CO 0.39 -0.14 1.24 0.47 0.52 0.00 0.00 175.17 177.65 1gth n ASP 292 N 2.79 -0.79 0.09 -0.34 9.92 -1.26 -1.40 116.55 125.56 1gth n ASP 292 Ca -0.13 1.43 0.03 0.00 -0.53 0.00 0.00 54.79 55.59 1gth n ASP 292 Cb 0.57 -0.21 0.19 0.00 -0.64 0.00 0.00 41.12 41.03 1gth n ASP 292 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1gth n ILE 293 N -5.04 0.79 -0.03 0.53 -5.35 -1.26 -0.19 119.36 108.81 1gth n ILE 293 Ca 0.03 0.64 0.08 0.00 -0.27 0.00 0.00 62.75 63.23 1gth n ILE 293 Cb 0.23 -1.64 0.18 0.00 -1.74 0.00 0.00 39.64 36.67 1gth n ILE 293 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1gth n PHE 294 N -1.70 0.51 -1.74 4.28 3.01 -0.50 -4.52 117.46 116.80 1gth n PHE 294 Ca -0.00 -0.38 -0.42 0.00 1.01 0.00 0.00 57.45 57.66 1gth n PHE 294 Cb 0.30 -0.01 -0.02 0.00 -0.01 0.00 0.00 39.48 39.74 1gth n PHE 294 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 1gth s GLN 295 N -1.08 4.11 0.00 -1.08 0.74 0.73 -1.90 119.66 121.18 1gth s GLN 295 Ca 0.30 2.61 0.00 0.00 0.05 0.00 0.00 55.36 58.32 1gth s GLN 295 Cb 0.16 -3.03 0.00 0.00 1.10 0.00 0.00 33.01 31.24 1gth s GLN 295 CO 0.22 -0.69 0.00 0.41 -0.55 0.00 0.00 175.29 174.68 1gth n GLY 296 N 2.74 2.95 3.75 2.59 0.00 -1.26 -5.00 105.19 110.95 1gth n GLY 296 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1gth n GLY 296 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gth s LEU 297 N 0.00 4.36 0.44 0.99 1.43 -0.80 -5.01 118.68 120.09 1gth s LEU 297 Ca 0.00 2.83 0.04 0.00 -1.03 0.00 0.00 54.13 55.97 1gth s LEU 297 Cb 0.00 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.54 1gth s LEU 297 CO 0.00 -0.82 0.02 0.42 0.23 0.00 0.00 176.35 176.21 1gth s THR 298 N -0.07 1.49 0.25 5.49 -4.23 -1.26 -4.94 115.64 112.38 1gth s THR 298 Ca 0.61 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 59.12 1gth s THR 298 Cb -0.45 -2.62 0.06 0.00 1.34 0.00 0.00 72.50 70.83 1gth s THR 298 CO 0.47 0.00 1.69 1.56 -0.54 0.00 0.00 174.62 177.80 1gth h GLN 299 N 1.66 0.61 -0.67 3.99 4.20 -1.93 -1.32 115.11 121.65 1gth h GLN 299 Ca -0.43 -0.23 0.11 0.00 0.06 0.00 0.00 58.65 58.16 1gth h GLN 299 Cb 1.27 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.97 1gth h GLN 299 CO 0.75 0.79 0.45 -0.44 -0.67 0.00 0.00 178.83 179.71 1gth h ASP 300 N 0.53 0.41 1.76 1.46 3.32 -1.95 0.21 116.42 122.16 1gth h ASP 300 Ca 0.08 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1gth h ASP 300 Cb 0.68 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1gth h ASP 300 CO 0.05 0.24 -0.21 1.56 -1.72 0.00 0.00 179.24 179.16 1gth h GLN 301 N 0.45 0.00 0.00 3.56 4.20 -1.68 -3.47 115.11 118.17 1gth h GLN 301 Ca 0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.02 1gth h GLN 301 Cb 0.62 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1gth h GLN 301 CO -0.10 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.47 1gth n GLY 302 N 1.13 1.45 3.68 3.46 0.00 0.74 -2.04 105.19 113.61 1gth n GLY 302 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1gth n GLY 302 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1gth s PHE 303 N -2.00 3.18 0.07 1.61 5.36 -0.53 -0.41 117.98 125.27 1gth s PHE 303 Ca 0.00 0.19 -0.09 0.00 -0.96 0.00 0.00 56.93 56.07 1gth s PHE 303 Cb 0.00 -1.81 -0.00 0.00 -0.34 0.00 0.00 43.02 40.87 1gth s PHE 303 CO 0.00 0.45 0.19 0.71 -1.46 0.00 0.00 175.22 175.11 1gth s TYR 304 N -0.79 0.12 0.35 10.12 1.51 0.19 -3.21 117.35 125.64 1gth s TYR 304 Ca 0.12 -0.49 0.08 0.00 -1.01 0.00 0.00 57.07 55.78 1gth s TYR 304 Cb -0.11 -0.05 -0.04 0.00 -0.11 0.00 0.00 41.96 41.65 1gth s TYR 304 CO 0.02 -0.51 0.21 0.95 -1.11 0.00 0.00 175.55 175.11 1gth s THR 305 N -3.45 3.09 0.37 -0.71 -4.23 -1.26 -0.65 115.64 108.80 1gth s THR 305 Ca 0.02 -1.57 0.05 0.00 -1.18 0.00 0.00 61.69 59.00 1gth s THR 305 Cb 0.03 -3.04 0.27 0.00 1.34 0.00 0.00 72.50 71.10 1gth s THR 305 CO -0.09 -0.15 2.01 0.77 -0.54 0.00 0.00 174.62 176.62 1gth h SER 306 N 1.41 0.64 0.34 3.99 4.64 -0.89 -0.59 113.55 123.09 1gth h SER 306 Ca -0.44 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1gth h SER 306 Cb 1.25 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1gth h SER 306 CO 0.62 0.45 -0.02 0.11 -0.87 0.00 0.00 176.83 177.12 1gth h LYS 307 N 0.75 0.00 0.01 4.77 1.79 -1.92 -2.58 116.57 119.39 1gth h LYS 307 Ca 0.23 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 58.34 1gth h LYS 307 Cb -0.00 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.60 1gth h LYS 307 CO -0.06 0.02 -1.99 -0.25 -1.08 0.00 0.00 179.45 176.09 1gth n ASP 308 N -3.21 1.94 0.27 0.86 10.43 -0.35 -4.53 116.55 121.96 1gth n ASP 308 Ca -0.02 0.31 -0.11 0.00 2.57 0.00 0.00 54.79 57.54 1gth n ASP 308 Cb 0.16 -0.84 -0.05 0.00 1.84 0.00 0.00 41.12 42.23 1gth n ASP 308 CO 0.00 0.00 0.00 0.15 -1.07 0.00 0.00 177.20 176.28 1gth h PHE 309 N -0.79 -0.67 -0.77 1.24 3.57 -1.18 -3.28 116.94 115.05 1gth h PHE 309 Ca -0.53 -0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.09 1gth h PHE 309 Cb 1.57 0.22 -0.09 0.00 2.79 0.00 0.00 35.95 40.44 1gth h PHE 309 CO 0.01 -0.42 0.36 -0.07 -2.23 0.00 0.00 178.31 175.96 1gth h LEU 310 N -0.97 0.41 -1.64 0.59 3.38 -1.71 -1.09 115.31 114.27 1gth h LEU 310 Ca -0.07 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1gth h LEU 310 Cb 0.55 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1gth h LEU 310 CO 0.12 0.18 0.03 -0.65 0.09 0.00 0.00 178.44 178.21 1gth h PRO 311 N 0.54 0.26 -0.30 1.13 0.11 -1.65 0.15 132.00 132.24 1gth h PRO 311 Ca 0.41 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.44 1gth h PRO 311 Cb 0.57 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 1gth h PRO 311 CO -0.36 0.25 -0.02 -0.07 -0.21 0.00 0.00 178.00 177.60 1gth h LEU 312 N 0.26 0.53 -0.64 2.35 3.38 -1.26 -0.67 115.31 119.26 1gth h LEU 312 Ca 0.06 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 1gth h LEU 312 Cb 0.13 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1gth h LEU 312 CO -0.00 0.73 0.12 0.58 0.09 0.00 0.00 178.44 179.95 1gth h VAL 313 N 0.32 1.26 0.12 1.22 2.07 -1.01 -2.63 116.25 117.60 1gth h VAL 313 Ca 0.08 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1gth h VAL 313 Cb 0.47 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1gth h VAL 313 CO 0.02 0.37 -0.06 0.00 0.02 0.00 0.00 177.57 177.92 1gth h ALA 314 N 1.04 -0.17 -0.34 1.67 0.00 -0.85 -0.43 119.26 120.18 1gth h ALA 314 Ca 0.19 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1gth h ALA 314 Cb 0.42 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1gth h ALA 314 CO 0.01 -0.54 0.23 0.87 0.00 0.00 0.00 179.25 179.82 1gth h LYS 315 N -0.27 0.16 0.06 0.00 1.57 -1.07 0.23 116.57 117.25 1gth h LYS 315 Ca -0.02 -0.01 -0.27 0.00 -1.87 0.00 0.00 60.65 58.49 1gth h LYS 315 Cb 0.22 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1gth h LYS 315 CO 0.03 0.11 -1.34 1.03 -0.57 0.00 0.00 179.45 178.71 1gth h SER 316 N 0.17 0.21 0.02 0.86 0.87 -1.17 -3.37 113.55 111.13 1gth h SER 316 Ca 0.15 -0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1gth h SER 316 Cb 0.40 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1gth h SER 316 CO -0.02 1.22 -1.00 -1.54 -0.53 0.00 0.00 176.83 174.97 1gth n SER 317 N -3.37 0.97 -4.21 6.23 3.41 -0.20 -4.83 113.62 111.62 1gth n SER 317 Ca -0.10 -0.96 -0.41 0.00 -0.26 0.00 0.00 58.87 57.15 1gth n SER 317 Cb 1.01 0.99 -0.08 0.00 -0.26 0.00 0.00 64.21 65.86 1gth n SER 317 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1gth s LYS 318 N -3.01 2.51 0.05 4.33 1.02 0.75 -4.97 119.74 120.43 1gth s LYS 318 Ca 0.08 -1.83 -0.31 0.00 0.02 0.00 0.00 55.97 53.94 1gth s LYS 318 Cb 0.16 -3.93 -0.07 0.00 -0.52 0.00 0.00 37.83 33.47 1gth s LYS 318 CO 0.86 -1.20 1.57 0.00 -0.92 0.00 0.00 175.35 175.66 1gth s ALA 319 N 1.25 3.65 0.00 5.17 0.00 -1.26 -2.23 121.76 128.34 1gth s ALA 319 Ca 0.07 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1gth s ALA 319 Cb -0.25 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.21 1gth s ALA 319 CO -0.01 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.13 1gth n GLY 320 N 3.87 3.05 0.38 0.00 0.00 -1.26 -4.81 105.19 106.41 1gth n GLY 320 Ca 0.15 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.01 1gth n GLY 320 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1gth h MET 321 N 1.93 -0.89 -6.63 1.61 -1.53 -1.81 -3.45 114.93 104.16 1gth h MET 321 Ca 0.00 0.06 -0.66 0.00 -3.44 0.00 0.00 59.70 55.66 1gth h MET 321 Cb 0.00 0.20 -0.24 0.00 -0.55 0.00 0.00 31.60 31.01 1gth h MET 321 CO 0.00 -0.56 -0.86 0.00 0.14 0.00 0.00 176.91 175.62 1gth h ALA 323 N 4.35 1.30 -2.68 0.00 0.00 -1.97 -3.41 119.26 116.85 1gth h ALA 323 Ca -0.48 -0.07 -0.52 0.00 0.00 0.00 0.00 54.91 53.84 1gth h ALA 323 Cb 1.16 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1gth h ALA 323 CO 0.41 0.65 0.24 0.00 0.00 0.00 0.00 179.25 180.55 1gth s HIS 325 N -0.58 3.26 0.54 0.00 2.46 -1.26 -4.96 115.29 114.75 1gth s HIS 325 Ca 0.40 -1.33 -0.13 0.00 0.47 0.00 0.00 55.06 54.47 1gth s HIS 325 Cb -0.23 -3.92 -0.06 0.00 -0.13 0.00 0.00 32.58 28.24 1gth s HIS 325 CO 0.27 -1.15 0.97 -1.54 -2.47 0.00 0.00 174.74 170.82 1gth s SER 326 N 3.30 6.44 0.60 9.88 1.04 -1.26 -5.05 113.70 128.65 1gth s SER 326 Ca 0.12 1.43 -0.15 0.00 0.48 0.00 0.00 55.95 57.83 1gth s SER 326 Cb -0.22 -2.46 -0.04 0.00 0.10 0.00 0.00 66.02 63.41 1gth s SER 326 CO 0.01 -0.67 1.05 -2.84 0.98 0.00 0.00 173.24 171.76 1gth s PRO 327 N -4.50 3.34 0.04 4.02 0.02 -1.26 -4.46 135.00 132.20 1gth s PRO 327 Ca 0.56 1.13 -0.30 0.00 0.02 0.00 0.00 61.00 62.41 1gth s PRO 327 Cb -0.10 -2.04 -0.05 0.00 0.02 0.00 0.00 34.50 32.33 1gth s PRO 327 CO 0.41 -0.78 1.10 -1.17 -0.33 0.00 0.00 177.00 176.22 1gth s LEU 328 N -4.60 4.38 -0.06 -5.54 2.96 -1.26 -4.77 118.68 109.78 1gth s LEU 328 Ca 0.62 1.86 -0.38 0.00 -0.22 0.00 0.00 54.13 56.01 1gth s LEU 328 Cb -0.15 -3.58 -0.16 0.00 0.50 0.00 0.00 46.19 42.81 1gth s LEU 328 CO 0.39 -0.36 1.53 -2.65 -1.32 0.00 0.00 176.35 173.93 1gth n PRO 329 N 3.84 1.23 -2.46 0.98 -0.02 -1.26 -4.84 135.00 132.48 1gth n PRO 329 Ca 0.07 0.45 -0.39 0.00 -2.02 0.00 0.00 63.50 61.61 1gth n PRO 329 Cb 0.48 -2.12 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 1gth n PRO 329 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1gth s SER 330 N 1.82 6.15 -0.34 2.55 0.15 -1.26 -4.73 113.70 118.04 1gth s SER 330 Ca 0.90 -0.94 -0.05 0.00 0.70 0.00 0.00 55.95 56.55 1gth s SER 330 Cb -0.98 -2.56 0.05 0.00 -1.71 0.00 0.00 66.02 60.82 1gth s SER 330 CO 0.54 -1.82 0.11 -0.63 1.20 0.00 0.00 173.24 172.64 1gth s ILE 331 N 6.12 3.62 0.09 6.45 -1.09 -1.19 -5.08 121.20 130.12 1gth s ILE 331 Ca 0.47 -1.29 0.08 0.00 -2.23 0.00 0.00 60.65 57.68 1gth s ILE 331 Cb -0.04 -3.11 -0.03 0.00 -1.58 0.00 0.00 42.46 37.70 1gth s ILE 331 CO 0.00 -0.24 -0.20 -0.13 -1.23 0.00 0.00 174.94 173.15 1gth s ARG 332 N 1.35 1.12 0.86 2.79 1.81 -1.26 -1.28 118.95 124.35 1gth s ARG 332 Ca -0.01 -1.10 0.00 0.00 -1.72 0.00 0.00 55.73 52.89 1gth s ARG 332 Cb -0.20 -1.34 0.00 0.00 -0.45 0.00 0.00 34.95 32.96 1gth s ARG 332 CO 0.01 0.32 0.00 0.41 -0.68 0.00 0.00 175.30 175.36 1gth n GLY 333 N 1.22 -1.68 3.71 -3.53 0.00 -1.26 -4.73 105.19 98.92 1gth n GLY 333 Ca -0.19 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 1gth n GLY 333 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gth s ALA 334 N -1.58 3.18 -0.09 4.61 0.00 -1.26 -1.93 121.76 124.69 1gth s ALA 334 Ca 0.00 0.56 0.02 0.00 0.00 0.00 0.00 51.96 52.54 1gth s ALA 334 Cb 0.00 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 1gth s ALA 334 CO 0.00 -0.22 -0.16 0.08 0.00 0.00 0.00 175.76 175.46 1gth s VAL 335 N 0.91 2.87 -0.16 0.00 1.01 0.03 -0.07 120.40 125.00 1gth s VAL 335 Ca 0.52 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1gth s VAL 335 Cb -0.22 -2.15 -0.00 0.00 0.00 0.00 0.00 36.38 34.01 1gth s VAL 335 CO 0.28 0.56 -0.15 -0.63 0.00 0.00 0.00 175.10 175.15 1gth s ILE 336 N -0.11 2.63 -0.23 2.22 1.01 0.15 -0.28 121.20 126.59 1gth s ILE 336 Ca -0.02 -0.78 -0.06 0.00 0.00 0.00 0.00 60.65 59.79 1gth s ILE 336 Cb -0.14 -2.11 -0.02 0.00 0.01 0.00 0.00 42.46 40.20 1gth s ILE 336 CO 0.04 0.52 0.02 -0.69 0.00 0.00 0.00 174.94 174.82 1gth s VAL 337 N 0.84 3.88 -0.20 2.92 1.01 0.44 -0.66 120.40 128.64 1gth s VAL 337 Ca -0.05 -0.32 -0.17 0.00 0.00 0.00 0.00 61.98 61.44 1gth s VAL 337 Cb -0.15 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 1gth s VAL 337 CO -0.01 0.38 0.47 -0.76 0.00 0.00 0.00 175.10 175.19 1gth s LEU 338 N 1.48 4.14 0.00 3.92 1.43 0.14 -1.25 118.68 128.56 1gth s LEU 338 Ca 0.06 0.60 0.00 0.00 -1.03 0.00 0.00 54.13 53.76 1gth s LEU 338 Cb -0.15 -2.63 0.00 0.00 0.03 0.00 0.00 46.19 43.45 1gth s LEU 338 CO 0.01 -0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.05 1gth n GLY 339 N 3.93 3.21 0.33 -3.19 0.00 -0.69 -1.33 105.19 107.45 1gth n GLY 339 Ca -0.06 -1.89 0.07 0.00 0.00 0.00 0.00 46.02 44.14 1gth n GLY 339 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gth n ALA 340 N -0.74 2.40 -1.92 4.61 0.00 -1.26 -4.58 120.51 119.01 1gth n ALA 340 Ca 0.00 -2.32 -0.29 0.00 0.00 0.00 0.00 53.44 50.83 1gth n ALA 340 Cb 0.00 -0.43 0.16 0.00 0.00 0.00 0.00 19.45 19.18 1gth n ALA 340 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1gth s GLY 341 N -2.43 1.73 0.47 0.00 0.00 -1.26 -4.05 107.32 101.78 1gth s GLY 341 Ca 0.25 -1.06 0.22 0.00 0.00 0.00 0.00 44.72 44.13 1gth s GLY 341 CO -0.00 -0.37 1.99 -0.55 0.00 0.00 0.00 173.10 174.17 1gth h ASP 342 N -1.45 0.00 -0.19 1.64 3.32 -1.94 -2.50 116.42 115.29 1gth h ASP 342 Ca -0.45 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.49 1gth h ASP 342 Cb 1.26 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 1gth h ASP 342 CO 0.46 0.19 -0.28 0.74 -1.72 0.00 0.00 179.24 178.63 1gth h THR 343 N 0.00 1.28 -0.94 0.35 2.02 -1.92 -2.96 112.91 110.73 1gth h THR 343 Ca -0.00 -1.39 0.07 0.00 0.77 0.00 0.00 66.41 65.85 1gth h THR 343 Cb 0.42 1.33 -0.07 0.00 -1.74 0.00 0.00 68.15 68.10 1gth h THR 343 CO 0.02 0.45 0.60 0.00 0.37 0.00 0.00 175.52 176.97 1gth h ALA 344 N 1.11 1.31 0.00 6.16 0.00 -1.72 -1.48 119.26 124.65 1gth h ALA 344 Ca 0.07 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1gth h ALA 344 Cb 0.77 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1gth h ALA 344 CO 0.06 0.36 -0.47 0.74 0.00 0.00 0.00 179.25 179.94 1gth h PHE 345 N 1.08 0.00 0.00 0.00 -1.00 -1.54 -0.81 116.94 114.66 1gth h PHE 345 Ca 0.41 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 61.06 1gth h PHE 345 Cb 0.19 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.73 1gth h PHE 345 CO -0.02 0.47 -0.62 -0.44 -1.61 0.00 0.00 178.31 176.09 1gth h ASP 346 N 0.00 0.00 -0.20 2.17 3.32 -1.26 -2.05 116.42 118.39 1gth h ASP 346 Ca -0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.92 1gth h ASP 346 Cb 0.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.38 1gth h ASP 346 CO 0.06 0.62 -0.36 0.00 -1.72 0.00 0.00 179.24 177.84 1gth h ALA 348 N 0.61 -0.42 -0.58 0.00 0.00 -1.08 0.11 119.26 117.90 1gth h ALA 348 Ca 0.01 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1gth h ALA 348 Cb 0.95 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1gth h ALA 348 CO 0.08 -0.70 0.16 1.79 0.00 0.00 0.00 179.25 180.58 1gth h THR 349 N -0.49 1.23 -0.30 0.00 1.35 -1.44 -2.57 112.91 110.70 1gth h THR 349 Ca -0.04 -0.83 -0.11 0.00 -0.55 0.00 0.00 66.41 64.88 1gth h THR 349 Cb 0.37 0.62 -0.01 0.00 -1.73 0.00 0.00 68.15 67.39 1gth h THR 349 CO 0.07 0.31 -0.29 0.28 -0.25 0.00 0.00 175.52 175.65 1gth h SER 350 N 0.86 0.63 -0.77 5.36 0.02 -1.08 -2.87 113.55 115.69 1gth h SER 350 Ca 0.19 -0.24 0.07 0.00 -0.84 0.00 0.00 61.79 60.97 1gth h SER 350 Cb 0.29 -0.17 -0.06 0.00 0.14 0.00 0.00 62.40 62.60 1gth h SER 350 CO -0.00 0.89 0.45 0.00 -1.14 0.00 0.00 176.83 177.03 1gth h ALA 351 N 1.16 1.06 -0.65 3.77 0.00 -0.38 -1.37 119.26 122.85 1gth h ALA 351 Ca 0.07 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1gth h ALA 351 Cb 0.76 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1gth h ALA 351 CO 0.06 0.15 0.43 -0.07 0.00 0.00 0.00 179.25 179.82 1gth h LEU 352 N 0.82 0.72 -1.46 0.00 3.38 -1.31 -0.46 115.31 117.00 1gth h LEU 352 Ca 0.35 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.28 1gth h LEU 352 Cb 0.21 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1gth h LEU 352 CO -0.19 0.51 -0.13 0.03 0.09 0.00 0.00 178.44 178.75 1gth h ARG 353 N 0.84 0.00 -0.00 1.13 -0.00 -1.22 -2.68 114.38 112.45 1gth h ARG 353 Ca 0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.73 1gth h ARG 353 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.94 1gth h ARG 353 CO -0.06 0.13 -0.18 0.00 0.00 0.00 0.00 179.97 179.86 1gth n GLY 355 N 1.37 1.03 3.68 0.00 0.00 -1.01 -3.14 105.19 107.13 1gth n GLY 355 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1gth n GLY 355 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gth n ALA 356 N -0.87 1.19 0.10 4.61 0.00 -0.40 -4.48 120.51 120.66 1gth n ALA 356 Ca 0.00 0.38 -0.23 0.00 0.00 0.00 0.00 53.44 53.59 1gth n ALA 356 Cb 0.00 -2.25 -0.14 0.00 0.00 0.00 0.00 19.45 17.06 1gth n ALA 356 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1gth h ARG 357 N 3.10 0.59 -2.81 0.00 2.43 -1.65 -3.45 114.38 112.60 1gth h ARG 357 Ca -0.45 -0.83 -0.11 0.00 -0.81 0.00 0.00 59.98 57.78 1gth h ARG 357 Cb 1.28 0.28 -0.21 0.00 -0.42 0.00 0.00 29.97 30.91 1gth h ARG 357 CO 0.67 1.38 -0.19 1.03 -1.51 0.00 0.00 179.97 181.35 1gth s ARG 358 N -2.88 0.70 -0.07 0.20 0.52 -1.20 -5.03 118.95 111.19 1gth s ARG 358 Ca -0.10 0.03 0.02 0.00 -0.52 0.00 0.00 55.73 55.17 1gth s ARG 358 Cb 0.05 0.32 0.01 0.00 0.52 0.00 0.00 34.95 35.85 1gth s ARG 358 CO 0.93 -0.18 -0.13 0.08 0.02 0.00 0.00 175.30 176.02 1gth s VAL 359 N -1.00 1.21 -0.10 3.52 1.01 -1.26 -0.79 120.40 122.99 1gth s VAL 359 Ca -0.11 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1gth s VAL 359 Cb -0.04 -1.10 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 1gth s VAL 359 CO 0.04 0.37 -0.17 -0.36 0.00 0.00 0.00 175.10 174.98 1gth s PHE 360 N 0.70 2.68 -0.34 5.22 0.40 0.61 -1.13 117.98 126.12 1gth s PHE 360 Ca -0.14 -0.63 -0.11 0.00 -0.60 0.00 0.00 56.93 55.46 1gth s PHE 360 Cb -0.16 -1.73 0.01 0.00 0.51 0.00 0.00 43.02 41.65 1gth s PHE 360 CO 0.03 -0.17 0.18 -0.51 0.70 0.00 0.00 175.22 175.46 1gth s LEU 361 N 0.04 4.42 -0.20 -0.37 1.43 0.56 -0.42 118.68 124.14 1gth s LEU 361 Ca -0.06 -0.73 -0.03 0.00 -1.03 0.00 0.00 54.13 52.28 1gth s LEU 361 Cb -0.15 -2.02 -0.00 0.00 0.03 0.00 0.00 46.19 44.04 1gth s LEU 361 CO 0.05 -0.29 -0.08 -0.69 0.23 0.00 0.00 176.35 175.57 1gth s VAL 362 N 1.60 3.11 0.14 -1.59 1.01 -0.38 -0.35 120.40 123.94 1gth s VAL 362 Ca 0.04 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.51 1gth s VAL 362 Cb -0.18 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1gth s VAL 362 CO 0.07 0.46 -0.19 0.72 0.00 0.00 0.00 175.10 176.16 1gth s PHE 363 N 1.28 1.78 -1.29 5.22 -0.12 -0.68 -1.71 117.98 122.47 1gth s PHE 363 Ca 0.03 -0.46 0.28 0.00 -0.05 0.00 0.00 56.93 56.73 1gth s PHE 363 Cb -0.14 -0.91 1.34 0.00 -0.63 0.00 0.00 43.02 42.67 1gth s PHE 363 CO -0.04 0.28 1.94 2.89 -0.05 0.00 0.00 175.22 180.24 1gth n ARG 364 N 0.54 0.27 -1.58 1.99 1.85 -1.01 -1.42 116.66 117.30 1gth n ARG 364 Ca -0.15 0.02 0.00 0.00 -1.00 0.00 0.00 57.85 56.72 1gth n ARG 364 Cb 0.56 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.47 1gth n ARG 364 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1gth n LYS 365 N -1.36 2.35 -2.36 2.89 5.02 -1.26 -4.20 118.16 119.25 1gth n LYS 365 Ca 0.11 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.15 1gth n LYS 365 Cb 0.26 0.00 0.11 0.00 -0.02 0.00 0.00 35.03 35.37 1gth n LYS 365 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1gth s GLY 366 N -0.85 1.75 0.22 0.72 0.00 -1.26 -1.22 107.32 106.68 1gth s GLY 366 Ca 0.00 -1.38 -0.08 0.00 0.00 0.00 0.00 44.72 43.26 1gth s GLY 366 CO 0.00 -0.83 1.83 0.74 0.00 0.00 0.00 173.10 174.84 1gth h PHE 367 N -0.72 1.13 0.00 1.90 -1.00 -1.98 -1.29 116.94 114.97 1gth h PHE 367 Ca -0.41 -0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.34 1gth h PHE 367 Cb 1.28 -0.36 -0.00 0.00 3.61 0.00 0.00 35.95 40.48 1gth h PHE 367 CO -0.21 0.79 -0.00 -0.39 -1.61 0.00 0.00 178.31 176.89 1gth h VAL 368 N 1.14 0.01 -0.00 -0.55 -1.51 -2.06 -2.40 116.25 110.87 1gth h VAL 368 Ca 0.29 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 65.54 1gth h VAL 368 Cb 0.05 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 30.42 1gth h VAL 368 CO -0.04 0.00 -0.19 0.59 -1.23 0.00 0.00 177.57 176.70 1gth n ASN 369 N -3.09 0.65 -4.69 4.19 4.13 -0.49 -4.83 115.26 111.13 1gth n ASN 369 Ca -0.02 -0.61 -0.42 0.00 1.68 0.00 0.00 54.58 55.22 1gth n ASN 369 Cb 0.17 0.01 -0.03 0.00 -1.54 0.00 0.00 39.78 38.39 1gth n ASN 369 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1gth s ILE 370 N -2.55 3.00 -1.25 2.41 1.01 -0.90 -4.85 121.20 118.07 1gth s ILE 370 Ca 0.25 0.41 0.14 0.00 0.00 0.00 0.00 60.65 61.45 1gth s ILE 370 Cb 0.19 -3.26 0.38 0.00 0.01 0.00 0.00 42.46 39.78 1gth s ILE 370 CO 0.51 -0.01 1.30 0.54 0.00 0.00 0.00 174.94 177.29 1gth n ARG 371 N 5.85 2.70 -2.37 2.79 1.74 -1.26 -4.98 116.66 121.12 1gth n ARG 371 Ca 0.16 -2.15 -0.36 0.00 -0.77 0.00 0.00 57.85 54.74 1gth n ARG 371 Cb 0.40 -1.34 -0.02 0.00 -1.02 0.00 0.00 32.46 30.48 1gth n ARG 371 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gth s ALA 372 N -1.02 2.91 0.24 7.54 0.00 -1.26 -4.91 121.76 125.27 1gth s ALA 372 Ca 0.29 0.80 -0.31 0.00 0.00 0.00 0.00 51.96 52.74 1gth s ALA 372 Cb 0.15 -3.33 -0.13 0.00 0.00 0.00 0.00 23.12 19.82 1gth s ALA 372 CO 0.20 -0.52 1.53 1.33 0.00 0.00 0.00 175.76 178.30 1gth n VAL 373 N -0.69 0.74 -0.28 0.00 0.24 -1.26 -4.81 118.33 112.28 1gth n VAL 373 Ca 0.08 -0.19 0.09 0.00 -2.04 0.00 0.00 64.34 62.29 1gth n VAL 373 Cb 0.50 -1.70 0.24 0.00 -1.47 0.00 0.00 33.84 31.41 1gth n VAL 373 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 1gth h PRO 374 N 4.91 0.32 -0.73 7.34 0.11 -1.97 -0.62 132.00 141.36 1gth h PRO 374 Ca -0.45 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.69 1gth h PRO 374 Cb 1.25 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 1gth h PRO 374 CO 0.81 0.21 0.48 0.93 -0.21 0.00 0.00 178.00 180.22 1gth h GLU 375 N 0.33 0.80 -0.11 1.05 3.07 -1.99 0.83 114.58 118.56 1gth h GLU 375 Ca 0.49 -0.05 -0.11 0.00 -0.50 0.00 0.00 59.36 59.19 1gth h GLU 375 Cb 0.88 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.62 1gth h GLU 375 CO -0.53 0.53 -0.36 1.49 -1.40 0.00 0.00 179.01 178.74 1gth h GLU 376 N 0.83 0.44 -0.96 2.33 4.57 -1.49 -3.02 114.58 117.27 1gth h GLU 376 Ca 0.30 -0.33 0.04 0.00 -1.18 0.00 0.00 59.36 58.20 1gth h GLU 376 Cb 0.16 0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 28.75 1gth h GLU 376 CO -0.10 0.95 0.62 0.28 -1.18 0.00 0.00 179.01 179.59 1gth h VAL 377 N 0.01 1.14 -0.71 0.32 2.07 -0.82 -2.51 116.25 115.76 1gth h VAL 377 Ca -0.01 -0.41 0.06 0.00 0.82 0.00 0.00 66.70 67.15 1gth h VAL 377 Cb 0.99 -0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 1gth h VAL 377 CO 0.08 0.22 0.42 -0.08 0.02 0.00 0.00 177.57 178.22 1gth h GLU 378 N 1.19 0.75 -0.85 1.57 4.57 -0.83 -1.52 114.58 119.47 1gth h GLU 378 Ca 0.39 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.53 1gth h GLU 378 Cb 0.04 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 28.42 1gth h GLU 378 CO -0.13 0.49 0.56 -0.07 -1.18 0.00 0.00 179.01 178.68 1gth h LEU 379 N 0.77 0.97 -0.49 1.64 3.38 -1.32 -0.56 115.31 119.70 1gth h LEU 379 Ca 0.31 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 58.11 1gth h LEU 379 Cb 0.16 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1gth h LEU 379 CO -0.17 0.71 -0.34 0.00 0.09 0.00 0.00 178.44 178.73 1gth h ALA 380 N 1.31 0.67 -0.62 1.53 0.00 -1.41 -2.82 119.26 117.92 1gth h ALA 380 Ca 0.31 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1gth h ALA 380 Cb -0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1gth h ALA 380 CO -0.07 0.67 0.12 -0.22 0.00 0.00 0.00 179.25 179.76 1gth h LYS 381 N 0.73 1.01 0.00 0.00 3.64 -0.79 -2.01 116.57 119.15 1gth h LYS 381 Ca 0.07 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1gth h LYS 381 Cb 0.91 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1gth h LYS 381 CO 0.08 0.93 0.00 1.05 -2.27 0.00 0.00 179.45 179.25 1gth h GLU 382 N 0.92 0.00 -0.61 1.90 4.11 -1.10 -2.43 114.58 117.38 1gth h GLU 382 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.62 1gth h GLU 382 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1gth h GLU 382 CO 0.01 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.48 1gth n GLU 383 N -2.57 2.92 -3.44 1.06 1.02 -1.03 -4.94 120.64 113.66 1gth n GLU 383 Ca 0.03 -2.03 -0.20 0.00 -0.02 0.00 0.00 57.16 54.95 1gth n GLU 383 Cb 0.37 -1.70 0.08 0.00 -0.02 0.00 0.00 31.44 30.17 1gth n GLU 383 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1gth n LYS 384 N 0.76 -6.91 -3.04 3.49 4.76 -0.91 -4.95 118.16 111.35 1gth n LYS 384 Ca 0.18 0.78 -0.38 0.00 -2.87 0.00 0.00 58.31 56.02 1gth n LYS 384 Cb 0.66 -5.64 -0.06 0.00 -1.84 0.00 0.00 35.03 28.15 1gth n LYS 384 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1gth s GLU 386 N -1.36 3.86 -0.12 0.00 2.56 -0.28 -4.75 118.70 118.60 1gth s GLU 386 Ca 0.37 0.37 0.03 0.00 0.00 0.00 0.00 54.97 55.74 1gth s GLU 386 Cb -0.21 -2.63 0.00 0.00 2.00 0.00 0.00 34.13 33.29 1gth s GLU 386 CO 0.24 0.30 -0.22 -0.06 -0.56 0.00 0.00 175.26 174.96 1gth s PHE 387 N -1.82 2.64 -0.26 5.30 0.40 -1.26 -0.32 117.98 122.65 1gth s PHE 387 Ca 0.48 -1.13 0.01 0.00 -0.60 0.00 0.00 56.93 55.70 1gth s PHE 387 Cb -0.11 -1.77 0.07 0.00 0.51 0.00 0.00 43.02 41.71 1gth s PHE 387 CO 0.20 -0.48 -0.04 -0.51 0.70 0.00 0.00 175.22 175.10 1gth s LEU 388 N 0.55 2.99 0.73 -0.37 1.43 0.52 -4.95 118.68 119.59 1gth s LEU 388 Ca -0.13 -1.39 -0.05 0.00 -1.03 0.00 0.00 54.13 51.53 1gth s LEU 388 Cb -0.17 -1.28 0.10 0.00 0.03 0.00 0.00 46.19 44.88 1gth s LEU 388 CO 0.04 -0.26 1.03 -2.16 0.23 0.00 0.00 176.35 175.22 1gth s PRO 389 N 1.29 1.82 -1.53 1.29 0.04 -1.26 -1.69 135.00 134.97 1gth s PRO 389 Ca -0.03 -0.62 -0.05 0.00 0.04 0.00 0.00 61.00 60.34 1gth s PRO 389 Cb -0.19 -2.21 0.04 0.00 0.04 0.00 0.00 34.50 32.18 1gth s PRO 389 CO -0.08 -1.43 0.38 1.19 0.04 0.00 0.00 177.00 177.10 1gth n PHE 390 N -2.95 -1.52 -3.88 0.56 3.01 -0.36 -4.86 117.46 107.45 1gth n PHE 390 Ca 0.11 0.71 -0.21 0.00 1.01 0.00 0.00 57.45 59.08 1gth n PHE 390 Cb 0.60 -3.21 -0.17 0.00 -0.01 0.00 0.00 39.48 36.69 1gth n PHE 390 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1gth s LEU 391 N -7.16 0.84 -0.18 4.37 1.43 -0.50 -2.23 118.68 115.25 1gth s LEU 391 Ca 0.19 -0.07 -0.02 0.00 -1.03 0.00 0.00 54.13 53.19 1gth s LEU 391 Cb -0.11 -0.38 -0.01 0.00 0.03 0.00 0.00 46.19 45.72 1gth s LEU 391 CO 0.94 -0.15 -0.08 -0.55 0.23 0.00 0.00 176.35 176.74 1gth s SER 392 N 1.56 4.25 0.65 2.29 0.15 -0.56 -2.41 113.70 119.62 1gth s SER 392 Ca -0.02 -0.33 -0.18 0.00 0.70 0.00 0.00 55.95 56.12 1gth s SER 392 Cb -0.13 -1.69 -0.02 0.00 -1.71 0.00 0.00 66.02 62.47 1gth s SER 392 CO -0.03 0.08 1.15 -0.81 1.20 0.00 0.00 173.24 174.82 1gth n PRO 393 N 4.14 0.95 0.00 5.44 -0.04 -1.26 -1.18 135.00 143.05 1gth n PRO 393 Ca -0.18 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 1gth n PRO 393 Cb 0.52 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 1gth n PRO 393 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1gth n ARG 394 N -1.65 0.00 -3.78 0.54 3.00 0.97 -4.83 116.66 110.92 1gth n ARG 394 Ca 0.15 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.87 1gth n ARG 394 Cb 0.48 -0.45 -0.09 0.00 0.00 0.00 0.00 32.46 32.40 1gth n ARG 394 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1gth s LYS 395 N -1.00 0.56 -0.57 -0.14 2.20 -1.00 -4.87 119.74 114.93 1gth s LYS 395 Ca 0.00 -0.04 0.01 0.00 -0.36 0.00 0.00 55.97 55.58 1gth s LYS 395 Cb 0.00 0.25 0.14 0.00 -1.51 0.00 0.00 37.83 36.71 1gth s LYS 395 CO 0.00 -0.13 0.34 0.08 -0.36 0.00 0.00 175.35 175.28 1gth s VAL 396 N -0.90 3.13 0.10 4.02 1.01 -1.26 0.39 120.40 126.89 1gth s VAL 396 Ca -0.10 -3.11 -0.31 0.00 0.00 0.00 0.00 61.98 58.46 1gth s VAL 396 Cb -0.05 -3.10 -0.10 0.00 0.00 0.00 0.00 36.38 33.13 1gth s VAL 396 CO 0.03 -0.83 1.84 -0.63 0.00 0.00 0.00 175.10 175.51 1gth s ILE 397 N -0.14 2.68 -0.10 2.22 -1.09 -0.77 -4.96 121.20 119.03 1gth s ILE 397 Ca 0.17 0.08 0.03 0.00 -2.23 0.00 0.00 60.65 58.70 1gth s ILE 397 Cb -0.23 -3.05 0.00 0.00 -1.58 0.00 0.00 42.46 37.60 1gth s ILE 397 CO -0.02 -0.00 -0.21 -0.69 -1.23 0.00 0.00 174.94 172.79 1gth s VAL 398 N 3.11 1.81 -0.15 2.92 1.01 -1.26 -1.74 120.40 126.10 1gth s VAL 398 Ca 0.82 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 1gth s VAL 398 Cb -0.45 -1.58 0.07 0.00 0.00 0.00 0.00 36.38 34.42 1gth s VAL 398 CO 0.37 0.50 0.16 -0.54 0.00 0.00 0.00 175.10 175.59 1gth s LYS 399 N 0.49 0.09 0.00 2.72 1.02 -0.81 -4.85 119.74 118.40 1gth s LYS 399 Ca -0.16 0.24 0.00 0.00 0.02 0.00 0.00 55.97 56.07 1gth s LYS 399 Cb -0.17 -1.07 0.00 0.00 -0.52 0.00 0.00 37.83 36.07 1gth s LYS 399 CO 0.06 -0.54 0.00 0.41 -0.92 0.00 0.00 175.35 174.36 1gth n GLY 400 N 5.31 1.16 2.17 -3.33 0.00 -1.26 -4.12 105.19 105.13 1gth n GLY 400 Ca -0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 46.02 45.63 1gth n GLY 400 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gth n GLY 401 N -1.60 0.51 3.25 -0.02 0.00 -1.26 -5.00 105.19 101.08 1gth n GLY 401 Ca 0.00 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 1gth n GLY 401 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1gth s ARG 402 N -1.12 0.75 0.29 1.61 1.70 -1.26 -4.33 118.95 116.59 1gth s ARG 402 Ca 0.00 -0.32 -0.29 0.00 -0.47 0.00 0.00 55.73 54.65 1gth s ARG 402 Cb 0.00 0.33 -0.10 0.00 -0.57 0.00 0.00 34.95 34.61 1gth s ARG 402 CO 0.00 -0.22 1.33 0.42 -1.08 0.00 0.00 175.30 175.75 1gth s ILE 403 N -1.88 2.79 0.00 4.99 1.01 -0.87 -1.93 121.20 125.31 1gth s ILE 403 Ca -0.10 0.74 0.00 0.00 0.00 0.00 0.00 60.65 61.30 1gth s ILE 403 Cb -0.03 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 38.97 1gth s ILE 403 CO 0.01 0.16 0.00 1.33 0.00 0.00 0.00 174.94 176.44 1gth n VAL 404 N 1.39 0.00 -3.68 2.92 0.24 -0.71 -4.52 118.33 113.98 1gth n VAL 404 Ca 0.02 -0.28 0.03 0.00 -2.04 0.00 0.00 64.34 62.06 1gth n VAL 404 Cb 0.42 0.80 0.00 0.00 -1.47 0.00 0.00 33.84 33.58 1gth n VAL 404 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1gth s ALA 405 N -1.24 -2.38 -0.02 2.33 0.00 -1.20 -2.93 121.76 116.33 1gth s ALA 405 Ca 0.00 0.65 0.02 0.00 0.00 0.00 0.00 51.96 52.63 1gth s ALA 405 Cb 0.00 0.43 0.00 0.00 0.00 0.00 0.00 23.12 23.55 1gth s ALA 405 CO 0.00 -1.08 -0.07 0.08 0.00 0.00 0.00 175.76 174.69 1gth s VAL 406 N -2.23 0.61 -0.20 0.00 1.01 0.20 -1.86 120.40 117.93 1gth s VAL 406 Ca 0.18 -0.28 -0.10 0.00 0.00 0.00 0.00 61.98 61.77 1gth s VAL 406 Cb 0.05 -0.54 -0.05 0.00 0.00 0.00 0.00 36.38 35.84 1gth s VAL 406 CO -0.04 0.19 0.15 -1.58 0.00 0.00 0.00 175.10 173.82 1gth s GLN 407 N 0.11 4.17 0.45 2.72 0.74 0.16 -1.71 119.66 126.31 1gth s GLN 407 Ca -0.01 -0.20 0.03 0.00 0.05 0.00 0.00 55.36 55.24 1gth s GLN 407 Cb -0.06 -3.44 -0.04 0.00 1.10 0.00 0.00 33.01 30.56 1gth s GLN 407 CO -0.00 0.25 0.03 -0.06 -0.55 0.00 0.00 175.29 174.95 1gth s PHE 408 N 0.51 2.06 -0.01 1.67 0.40 0.54 -0.02 117.98 123.14 1gth s PHE 408 Ca 0.09 -0.91 0.00 0.00 -0.60 0.00 0.00 56.93 55.50 1gth s PHE 408 Cb -0.12 -1.57 0.01 0.00 0.51 0.00 0.00 43.02 41.85 1gth s PHE 408 CO -0.00 0.20 0.01 0.54 0.70 0.00 0.00 175.22 176.67 1gth s VAL 409 N -2.91 -0.00 0.58 -0.44 0.11 -0.33 0.30 120.40 117.71 1gth s VAL 409 Ca 0.20 0.06 -0.20 0.00 -2.93 0.00 0.00 61.98 59.11 1gth s VAL 409 Cb 0.05 -0.05 -0.04 0.00 -1.53 0.00 0.00 36.38 34.81 1gth s VAL 409 CO 0.10 0.03 1.25 -0.13 -3.33 0.00 0.00 175.10 173.03 1gth s ARG 410 N 0.33 3.01 0.30 1.54 0.52 -1.04 -1.49 118.95 122.12 1gth s ARG 410 Ca -0.03 1.95 0.08 0.00 -0.52 0.00 0.00 55.73 57.22 1gth s ARG 410 Cb -0.04 -2.03 -0.06 0.00 0.52 0.00 0.00 34.95 33.34 1gth s ARG 410 CO -0.01 -1.21 -0.10 0.95 0.02 0.00 0.00 175.30 174.95 1gth s THR 411 N -1.49 1.98 -0.15 0.02 -4.23 -0.95 -1.74 115.64 109.09 1gth s THR 411 Ca 0.76 -2.20 -0.30 0.00 -1.18 0.00 0.00 61.69 58.77 1gth s THR 411 Cb -0.34 -2.47 0.13 0.00 1.34 0.00 0.00 72.50 71.17 1gth s THR 411 CO 0.38 -0.30 1.02 -0.70 -0.54 0.00 0.00 174.62 174.47 1gth s GLU 412 N -3.65 0.57 -0.14 3.99 2.56 -0.20 -4.86 118.70 116.98 1gth s GLU 412 Ca 0.30 0.08 -0.06 0.00 0.00 0.00 0.00 54.97 55.29 1gth s GLU 412 Cb 0.02 0.27 -0.04 0.00 2.00 0.00 0.00 34.13 36.38 1gth s GLU 412 CO 0.14 -0.19 0.08 -1.14 -0.56 0.00 0.00 175.26 173.59 1gth s GLN 413 N -1.38 3.56 0.00 4.30 0.74 -1.26 -0.38 119.66 125.24 1gth s GLN 413 Ca 0.00 -0.27 0.00 0.00 0.05 0.00 0.00 55.36 55.14 1gth s GLN 413 Cb -0.01 -3.12 0.00 0.00 1.10 0.00 0.00 33.01 30.99 1gth s GLN 413 CO -0.00 0.56 0.00 -0.40 -0.55 0.00 0.00 175.29 174.90 1gth n ASP 414 N 2.63 0.00 0.16 6.67 5.68 -0.46 -4.93 116.55 126.30 1gth n ASP 414 Ca -0.18 -0.71 -0.08 0.00 -0.50 0.00 0.00 54.79 53.32 1gth n ASP 414 Cb 0.54 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.47 1gth n ASP 414 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1gth h GLU 415 N 0.00 -0.46 -0.07 0.11 4.81 -1.99 -2.59 114.58 114.38 1gth h GLU 415 Ca 0.00 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1gth h GLU 415 Cb 0.00 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 1gth h GLU 415 CO 0.00 -0.31 0.73 1.79 -0.73 0.00 0.00 179.01 180.50 1gth h THR 416 N -0.48 0.01 0.00 0.32 1.35 -2.05 -3.42 112.91 108.64 1gth h THR 416 Ca -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1gth h THR 416 Cb 0.39 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.09 1gth h THR 416 CO 0.02 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.90 1gth n GLY 417 N -1.40 1.62 3.91 5.82 0.00 -0.98 -5.09 105.19 109.06 1gth n GLY 417 Ca 0.01 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 1gth n GLY 417 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1gth s LYS 418 N -1.53 3.48 -0.14 1.61 2.20 -1.26 -4.86 119.74 119.24 1gth s LYS 418 Ca 0.00 -0.31 -0.11 0.00 -0.36 0.00 0.00 55.97 55.19 1gth s LYS 418 Cb 0.00 -3.04 -0.05 0.00 -1.51 0.00 0.00 37.83 33.23 1gth s LYS 418 CO 0.00 0.62 0.23 -1.58 -0.36 0.00 0.00 175.35 174.26 1gth s TRP 419 N -1.44 3.51 0.14 4.03 0.52 -1.26 -1.35 118.94 123.09 1gth s TRP 419 Ca 0.32 0.55 0.09 0.00 0.02 0.00 0.00 56.10 57.08 1gth s TRP 419 Cb -0.13 -2.19 -0.04 0.00 -1.15 0.00 0.00 33.47 29.96 1gth s TRP 419 CO 0.23 0.42 -0.20 -0.80 0.02 0.00 0.00 176.95 176.61 1gth s ASN 420 N -0.09 2.69 -0.30 2.95 0.01 0.49 -4.95 114.94 115.74 1gth s ASN 420 Ca 0.15 -0.78 0.01 0.00 -0.71 0.00 0.00 52.86 51.53 1gth s ASN 420 Cb -0.13 -0.16 0.09 0.00 0.41 0.00 0.00 41.25 41.47 1gth s ASN 420 CO 0.03 0.02 0.05 -1.61 -1.51 0.00 0.00 177.10 174.08 1gth s GLU 421 N -2.39 1.19 -0.45 -0.60 2.02 -1.26 -1.04 118.70 116.18 1gth s GLU 421 Ca 0.12 -1.36 -0.27 0.00 0.02 0.00 0.00 54.97 53.48 1gth s GLU 421 Cb -0.08 -2.58 -0.03 0.00 0.10 0.00 0.00 34.13 31.55 1gth s GLU 421 CO 0.06 -0.88 1.92 0.34 0.02 0.00 0.00 175.26 176.71 1gth s ASP 422 N 1.30 5.45 0.31 -0.19 2.15 -0.71 -4.85 116.67 120.14 1gth s ASP 422 Ca 0.07 0.95 0.23 0.00 0.43 0.00 0.00 52.55 54.23 1gth s ASP 422 Cb -0.18 -2.52 1.12 0.00 -0.30 0.00 0.00 42.92 41.04 1gth s ASP 422 CO -0.15 -2.12 1.70 -0.62 -0.17 0.00 0.00 175.17 173.81 1gth n GLU 423 N 8.80 0.17 0.11 4.34 1.02 -1.26 -2.46 120.64 131.35 1gth n GLU 423 Ca 0.24 0.56 -0.19 0.00 -0.02 0.00 0.00 57.16 57.75 1gth n GLU 423 Cb 0.50 -1.94 -0.14 0.00 -0.02 0.00 0.00 31.44 29.84 1gth n GLU 423 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1gth h ASP 424 N 0.00 0.60 -1.21 1.62 3.32 -1.97 -3.40 116.42 115.37 1gth h ASP 424 Ca 0.00 -0.62 -0.65 0.00 0.02 0.00 0.00 57.03 55.78 1gth h ASP 424 Cb 0.15 -0.19 -0.11 0.00 0.22 0.00 0.00 39.33 39.40 1gth h ASP 424 CO 0.00 1.47 1.71 -1.10 -1.72 0.00 0.00 179.24 179.60 1gth s GLN 425 N -2.72 3.79 0.31 3.56 -0.21 -1.03 -4.98 119.66 118.38 1gth s GLN 425 Ca -0.06 -1.64 -0.17 0.00 0.02 0.00 0.00 55.36 53.50 1gth s GLN 425 Cb 0.06 -5.37 -0.09 0.00 1.00 0.00 0.00 33.01 28.61 1gth s GLN 425 CO 0.91 -2.15 0.77 0.96 -2.12 0.00 0.00 175.29 173.65 1gth s ILE 426 N 4.20 4.59 -0.07 1.08 -4.36 -1.26 -2.49 121.20 122.89 1gth s ILE 426 Ca 0.48 1.14 0.02 0.00 -0.26 0.00 0.00 60.65 62.03 1gth s ILE 426 Cb 0.01 -3.69 0.01 0.00 1.25 0.00 0.00 42.46 40.04 1gth s ILE 426 CO -0.02 -0.09 -0.12 -0.69 0.24 0.00 0.00 174.94 174.27 1gth s VAL 427 N -1.87 1.14 -0.34 8.37 1.01 0.15 -4.94 120.40 123.92 1gth s VAL 427 Ca 0.52 -0.46 -0.10 0.00 0.00 0.00 0.00 61.98 61.94 1gth s VAL 427 Cb -0.12 -1.05 0.01 0.00 0.00 0.00 0.00 36.38 35.21 1gth s VAL 427 CO 0.18 0.36 0.17 -1.00 0.00 0.00 0.00 175.10 174.81 1gth s HIS 428 N 0.82 3.20 -0.12 5.22 3.76 -1.26 -0.34 115.29 126.58 1gth s HIS 428 Ca -0.12 -0.76 0.01 0.00 -0.15 0.00 0.00 55.06 54.05 1gth s HIS 428 Cb -0.15 -2.38 -0.01 0.00 1.11 0.00 0.00 32.58 31.14 1gth s HIS 428 CO 0.02 -0.54 -0.16 -0.51 -0.85 0.00 0.00 174.74 172.70 1gth s LEU 429 N 1.58 2.57 0.57 0.89 1.43 -0.69 -4.99 118.68 120.04 1gth s LEU 429 Ca 0.03 -0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 52.60 1gth s LEU 429 Cb -0.18 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 1gth s LEU 429 CO 0.06 0.18 1.06 -0.75 0.23 0.00 0.00 176.35 177.13 1gth s LYS 430 N 0.25 3.39 -0.30 1.70 2.20 -1.26 -0.62 119.74 125.10 1gth s LYS 430 Ca -0.11 1.26 -0.25 0.00 -0.36 0.00 0.00 55.97 56.51 1gth s LYS 430 Cb -0.16 -2.04 0.19 0.00 -1.51 0.00 0.00 37.83 34.31 1gth s LYS 430 CO 0.06 -0.76 1.43 0.00 -0.36 0.00 0.00 175.35 175.71 1gth s ALA 431 N -2.33 -2.21 -0.06 3.13 0.00 -1.15 -4.80 121.76 114.34 1gth s ALA 431 Ca 0.65 1.69 0.19 0.00 0.00 0.00 0.00 51.96 54.49 1gth s ALA 431 Cb -0.17 -1.76 -0.29 0.00 0.00 0.00 0.00 23.12 20.91 1gth s ALA 431 CO 0.34 -0.11 0.36 -0.25 0.00 0.00 0.00 175.76 176.10 1gth n ASP 432 N 1.56 0.50 -3.86 0.00 9.92 0.91 -3.49 116.55 122.09 1gth n ASP 432 Ca -0.10 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.04 1gth n ASP 432 Cb 0.57 1.73 -0.13 0.00 -0.64 0.00 0.00 41.12 42.65 1gth n ASP 432 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1gth s VAL 433 N -3.20 0.01 -0.06 2.53 1.01 -0.91 -4.60 120.40 115.18 1gth s VAL 433 Ca -0.08 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1gth s VAL 433 Cb 0.11 -0.14 0.02 0.00 0.00 0.00 0.00 36.38 36.37 1gth s VAL 433 CO 0.81 -0.06 -0.10 -0.69 0.00 0.00 0.00 175.10 175.05 1gth s VAL 434 N -0.17 0.99 -0.14 2.92 1.01 0.45 -0.67 120.40 124.79 1gth s VAL 434 Ca -0.02 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1gth s VAL 434 Cb -0.02 -0.92 0.02 0.00 0.00 0.00 0.00 36.38 35.46 1gth s VAL 434 CO 0.00 0.32 -0.11 -0.63 0.00 0.00 0.00 175.10 174.68 1gth s ILE 435 N 0.74 1.35 -0.10 2.22 1.01 0.17 -0.64 121.20 125.96 1gth s ILE 435 Ca -0.13 -0.50 -0.16 0.00 0.00 0.00 0.00 60.65 59.85 1gth s ILE 435 Cb -0.15 -1.31 -0.05 0.00 0.01 0.00 0.00 42.46 40.96 1gth s ILE 435 CO 0.03 0.41 0.40 -0.94 0.00 0.00 0.00 174.94 174.84 1gth s SER 436 N 1.57 6.64 -0.52 3.58 1.04 0.18 -0.68 113.70 125.52 1gth s SER 436 Ca 0.05 0.76 0.07 0.00 0.48 0.00 0.00 55.95 57.31 1gth s SER 436 Cb -0.13 -2.24 0.31 0.00 0.10 0.00 0.00 66.02 64.06 1gth s SER 436 CO -0.10 0.12 0.80 0.00 0.98 0.00 0.00 173.24 175.05 1gth n ALA 437 N 3.11 3.61 1.47 5.32 0.00 -0.44 -0.13 120.51 133.45 1gth n ALA 437 Ca -0.11 -4.23 0.14 0.00 0.00 0.00 0.00 53.44 49.24 1gth n ALA 437 Cb 0.52 -0.82 0.51 0.00 0.00 0.00 0.00 19.45 19.65 1gth n ALA 437 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1gth n PHE 438 N 0.30 0.03 0.00 0.00 0.99 -1.26 -4.62 117.46 112.89 1gth n PHE 438 Ca 0.28 -0.01 0.00 0.00 -0.00 0.00 0.00 57.45 57.72 1gth n PHE 438 Cb 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.96 1gth n PHE 438 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1gth n GLY 439 N 1.17 -0.45 3.20 1.37 0.00 -1.26 -4.79 105.19 104.42 1gth n GLY 439 Ca 0.19 -2.22 -0.12 0.00 0.00 0.00 0.00 46.02 43.87 1gth n GLY 439 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gth s SER 440 N -4.00 1.07 0.35 1.61 0.01 -1.26 -1.35 113.70 110.14 1gth s SER 440 Ca 0.00 -1.10 -0.09 0.00 1.31 0.00 0.00 55.95 56.07 1gth s SER 440 Cb 0.00 0.13 0.02 0.00 0.21 0.00 0.00 66.02 66.38 1gth s SER 440 CO 0.00 -0.54 0.62 0.68 0.41 0.00 0.00 173.24 174.40 1gth s VAL 441 N -3.69 0.00 -0.28 3.43 -7.23 0.23 -4.75 120.40 108.11 1gth s VAL 441 Ca 0.18 -1.32 0.02 0.00 -1.81 0.00 0.00 61.98 59.06 1gth s VAL 441 Cb 0.06 -2.69 0.06 0.00 0.56 0.00 0.00 36.38 34.37 1gth s VAL 441 CO -0.00 0.00 -0.07 -0.22 -0.31 0.00 0.00 175.10 174.49 1gth s LEU 442 N -3.14 3.67 0.00 1.32 2.96 -1.26 -1.50 118.68 120.72 1gth s LEU 442 Ca 0.23 -1.46 0.00 0.00 -0.22 0.00 0.00 54.13 52.68 1gth s LEU 442 Cb -0.03 -1.59 0.00 0.00 0.50 0.00 0.00 46.19 45.08 1gth s LEU 442 CO 0.15 -0.22 0.00 0.54 -1.32 0.00 0.00 176.35 175.50 1gth n ARG 443 N 4.45 0.65 -1.26 1.98 1.74 -1.26 -5.01 116.66 117.95 1gth n ARG 443 Ca -0.12 0.00 -0.60 0.00 -0.77 0.00 0.00 57.85 56.36 1gth n ARG 443 Cb 0.42 -0.92 -0.12 0.00 -1.02 0.00 0.00 32.46 30.82 1gth n ARG 443 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1gth n ASP 444 N -2.23 0.77 0.10 0.55 -0.08 -1.26 -4.79 116.55 109.61 1gth n ASP 444 Ca 0.00 0.68 0.05 0.00 -1.51 0.00 0.00 54.79 54.01 1gth n ASP 444 Cb 0.42 -0.90 0.49 0.00 2.34 0.00 0.00 41.12 43.47 1gth n ASP 444 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1gth h PRO 445 N 9.00 0.33 -0.16 -0.67 0.11 -1.99 -1.45 132.00 137.17 1gth h PRO 445 Ca -0.10 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.93 1gth h PRO 445 Cb 1.42 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.45 1gth h PRO 445 CO 1.09 0.24 -0.13 0.87 -0.21 0.00 0.00 178.00 179.86 1gth h LYS 446 N 0.34 0.26 0.01 1.05 1.57 -1.96 -0.21 116.57 117.63 1gth h LYS 446 Ca 0.09 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1gth h LYS 446 Cb 0.01 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1gth h LYS 446 CO -0.02 0.40 -0.09 0.28 -0.57 0.00 0.00 179.45 179.46 1gth h VAL 447 N 0.25 1.75 -0.87 0.50 2.07 -1.55 0.40 116.25 118.79 1gth h VAL 447 Ca 0.05 -2.30 0.08 0.00 0.82 0.00 0.00 66.70 65.35 1gth h VAL 447 Cb 0.39 3.30 -0.06 0.00 -1.52 0.00 0.00 31.29 33.40 1gth h VAL 447 CO 0.02 0.60 0.56 0.11 0.02 0.00 0.00 177.57 178.89 1gth h LYS 448 N -0.90 0.90 -0.30 1.57 1.57 -1.25 -1.61 116.57 116.56 1gth h LYS 448 Ca -0.01 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 1gth h LYS 448 Cb 1.04 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.13 1gth h LYS 448 CO 0.02 0.60 -0.06 1.49 -0.57 0.00 0.00 179.45 180.93 1gth h GLU 449 N 0.93 0.47 0.00 3.15 4.57 -1.12 -1.97 114.58 120.61 1gth h GLU 449 Ca 0.38 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 1gth h GLU 449 Cb 0.28 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1gth h GLU 449 CO -0.15 0.54 0.00 0.00 -1.18 0.00 0.00 179.01 178.23 1gth n ALA 450 N -2.48 1.61 1.08 2.92 0.00 -0.61 -2.03 120.51 121.00 1gth n ALA 450 Ca 0.01 0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.62 1gth n ALA 450 Cb 0.27 -1.32 0.32 0.00 0.00 0.00 0.00 19.45 18.72 1gth n ALA 450 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1gth n LEU 451 N -1.98 2.29 -4.77 0.00 4.77 -0.74 -2.10 117.00 114.46 1gth n LEU 451 Ca 0.02 -0.86 -0.40 0.00 -0.03 0.00 0.00 56.01 54.74 1gth n LEU 451 Cb 0.19 -0.08 0.01 0.00 -2.33 0.00 0.00 43.42 41.22 1gth n LEU 451 CO 0.17 0.43 1.04 -0.55 -1.33 0.00 0.00 177.39 177.14 1gth s SER 452 N -1.79 6.09 -0.43 -1.43 0.15 -0.86 -1.29 113.70 114.14 1gth s SER 452 Ca 0.34 2.84 0.04 0.00 0.70 0.00 0.00 55.95 59.87 1gth s SER 452 Cb 0.20 -2.65 0.57 0.00 -1.71 0.00 0.00 66.02 62.43 1gth s SER 452 CO 0.30 -1.02 1.76 -0.81 1.20 0.00 0.00 173.24 174.67 1gth n PRO 453 N -0.00 2.29 -1.89 5.44 -0.04 -1.26 -4.66 135.00 134.87 1gth n PRO 453 Ca 0.04 -3.19 -0.37 0.00 -0.04 0.00 0.00 63.50 59.94 1gth n PRO 453 Cb 0.42 -2.10 0.04 0.00 -0.04 0.00 0.00 33.50 31.82 1gth n PRO 453 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1gth s ILE 454 N -3.65 2.33 0.23 0.52 -4.36 -0.41 -4.94 121.20 110.92 1gth s ILE 454 Ca 0.54 0.23 -0.30 0.00 -0.26 0.00 0.00 60.65 60.87 1gth s ILE 454 Cb 0.46 -3.11 -0.09 0.00 1.25 0.00 0.00 42.46 40.98 1gth s ILE 454 CO 0.05 -0.02 1.01 -0.75 0.24 0.00 0.00 174.94 175.47 1gth s LYS 455 N -3.05 4.74 0.14 0.37 2.20 -1.26 -4.98 119.74 117.89 1gth s LYS 455 Ca 0.74 1.61 0.06 0.00 -0.36 0.00 0.00 55.97 58.02 1gth s LYS 455 Cb -0.36 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 1gth s LYS 455 CO 0.41 0.33 0.02 -0.06 -0.36 0.00 0.00 175.35 175.69 1gth s PHE 456 N -0.92 2.94 0.13 4.03 0.40 -1.26 -1.13 117.98 122.18 1gth s PHE 456 Ca 0.44 -0.08 0.01 0.00 -0.60 0.00 0.00 56.93 56.70 1gth s PHE 456 Cb -0.28 -1.46 0.02 0.00 0.51 0.00 0.00 43.02 41.81 1gth s PHE 456 CO 0.35 0.50 0.18 0.27 0.70 0.00 0.00 175.22 177.22 1gth n ASN 457 N 0.15 0.36 0.29 1.36 0.23 -0.10 -4.79 115.26 112.77 1gth n ASN 457 Ca -0.10 -1.28 0.16 0.00 -0.53 0.00 0.00 54.58 52.83 1gth n ASN 457 Cb 0.54 -0.11 0.90 0.00 -2.08 0.00 0.00 39.78 39.03 1gth n ASN 457 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 1gth h ARG 458 N 0.00 0.00 0.00 -3.83 3.08 -2.01 -0.84 114.38 110.78 1gth h ARG 458 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1gth h ARG 458 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1gth h ARG 458 CO 0.08 0.04 0.00 0.91 -1.07 0.00 0.00 179.97 179.92 1gth n TRP 459 N -3.65 0.00 -2.42 3.04 8.01 -1.26 -4.87 117.44 116.29 1gth n TRP 459 Ca -0.03 0.00 -0.11 0.00 -1.31 0.00 0.00 57.50 56.06 1gth n TRP 459 Cb 0.13 -0.10 0.01 0.00 -2.01 0.00 0.00 31.31 29.34 1gth n TRP 459 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1gth n ASP 460 N -1.10 -3.61 -4.25 -0.99 9.92 -0.32 -5.03 116.55 111.17 1gth n ASP 460 Ca 0.19 -0.08 -0.20 0.00 -0.53 0.00 0.00 54.79 54.18 1gth n ASP 460 Cb 0.15 -2.68 -0.12 0.00 -0.64 0.00 0.00 41.12 37.83 1gth n ASP 460 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1gth s LEU 461 N -3.25 2.37 0.25 0.64 1.43 -1.26 -4.90 118.68 113.97 1gth s LEU 461 Ca 0.08 -0.76 -0.31 0.00 -1.03 0.00 0.00 54.13 52.10 1gth s LEU 461 Cb -0.03 -0.66 -0.12 0.00 0.03 0.00 0.00 46.19 45.40 1gth s LEU 461 CO 0.09 -0.07 1.54 -0.81 0.23 0.00 0.00 176.35 177.33 1gth n PRO 462 N 0.72 2.42 -3.16 1.29 -0.04 -1.26 -0.92 135.00 134.06 1gth n PRO 462 Ca -0.17 0.86 -0.39 0.00 -0.04 0.00 0.00 63.50 63.77 1gth n PRO 462 Cb 0.56 -2.61 -0.05 0.00 -0.04 0.00 0.00 33.50 31.36 1gth n PRO 462 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1gth s GLU 463 N -0.18 4.38 0.08 0.54 2.56 -0.28 -4.77 118.70 121.03 1gth s GLU 463 Ca 0.68 0.75 0.01 0.00 0.00 0.00 0.00 54.97 56.41 1gth s GLU 463 Cb -0.57 -3.40 -0.04 0.00 2.00 0.00 0.00 34.13 32.12 1gth s GLU 463 CO 0.46 0.20 -0.06 0.14 -0.56 0.00 0.00 175.26 175.44 1gth s VAL 464 N 0.36 0.61 -0.11 3.70 -7.23 -1.26 -4.10 120.40 112.38 1gth s VAL 464 Ca 0.33 -1.78 -0.30 0.00 -1.81 0.00 0.00 61.98 58.42 1gth s VAL 464 Cb -0.17 -1.49 -0.03 0.00 0.56 0.00 0.00 36.38 35.25 1gth s VAL 464 CO 0.16 -0.81 1.29 -0.62 -0.31 0.00 0.00 175.10 174.82 1gth s ASP 465 N -2.79 6.94 0.60 4.85 3.68 -0.50 -4.89 116.67 124.56 1gth s ASP 465 Ca 0.08 1.81 0.35 0.00 2.13 0.00 0.00 52.55 56.91 1gth s ASP 465 Cb 0.03 -2.54 1.89 0.00 -1.45 0.00 0.00 42.92 40.84 1gth s ASP 465 CO -0.04 -0.73 2.05 1.55 0.13 0.00 0.00 175.17 178.13 1gth h PRO 466 N 8.10 0.00 0.07 4.34 0.13 -1.97 0.58 132.00 143.25 1gth h PRO 466 Ca -0.30 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.45 1gth h PRO 466 Cb 1.13 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.22 1gth h PRO 466 CO 0.94 0.00 -2.20 -1.91 -0.23 0.00 0.00 178.00 174.61 1gth n GLU 467 N -2.83 0.71 -0.00 0.86 4.07 -1.26 -4.57 120.64 117.61 1gth n GLU 467 Ca -0.02 0.21 0.11 0.00 -0.06 0.00 0.00 57.16 57.40 1gth n GLU 467 Cb 0.19 -1.63 -0.16 0.00 -0.06 0.00 0.00 31.44 29.78 1gth n GLU 467 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1gth n THR 468 N -3.37 0.02 -1.23 6.31 -2.24 -1.06 -4.87 114.28 107.84 1gth n THR 468 Ca -0.37 -0.43 -0.08 0.00 -2.27 0.00 0.00 64.05 60.90 1gth n THR 468 Cb 1.03 0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 69.35 1gth n THR 468 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1gth n MET 469 N -2.16 -0.90 -3.22 -0.78 2.81 0.20 -4.43 117.12 108.63 1gth n MET 469 Ca -0.03 0.71 -0.39 0.00 -1.81 0.00 0.00 57.70 56.18 1gth n MET 469 Cb 0.53 -4.65 -0.06 0.00 -0.71 0.00 0.00 33.22 28.34 1gth n MET 469 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 1gth s GLN 470 N -2.38 4.27 0.26 0.03 0.74 -1.25 -1.33 119.66 119.99 1gth s GLN 470 Ca 0.00 0.81 -0.02 0.00 0.05 0.00 0.00 55.36 56.19 1gth s GLN 470 Cb 0.00 -3.25 0.06 0.00 1.10 0.00 0.00 33.01 30.91 1gth s GLN 470 CO 0.00 0.60 0.36 0.25 -0.55 0.00 0.00 175.29 175.95 1gth n THR 471 N 1.80 0.00 0.30 -0.34 -2.24 -0.11 -1.41 114.28 112.28 1gth n THR 471 Ca -0.09 -0.40 0.19 0.00 -2.27 0.00 0.00 64.05 61.48 1gth n THR 471 Cb 0.50 -1.52 0.95 0.00 -2.10 0.00 0.00 70.33 68.16 1gth n THR 471 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1gth h SER 472 N -0.35 0.00 -3.62 3.42 4.64 -1.86 -3.37 113.55 112.41 1gth h SER 472 Ca -0.12 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.51 1gth h SER 472 Cb 0.37 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.27 1gth h SER 472 CO 0.10 0.02 -0.40 -1.61 -0.87 0.00 0.00 176.83 174.07 1gth s GLU 473 N -4.02 3.31 0.36 4.77 0.41 -1.26 -4.98 118.70 117.29 1gth s GLU 473 Ca -0.03 -0.73 0.17 0.00 -0.41 0.00 0.00 54.97 53.98 1gth s GLU 473 Cb 0.12 -3.88 1.23 0.00 -1.78 0.00 0.00 34.13 29.82 1gth s GLU 473 CO 0.49 -0.59 1.59 -1.35 -0.49 0.00 0.00 175.26 174.91 1gth h PRO 474 N 8.55 0.03 -0.01 0.39 0.11 -1.98 0.22 132.00 139.31 1gth h PRO 474 Ca -0.29 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1gth h PRO 474 Cb 1.14 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1gth h PRO 474 CO 0.69 0.02 -0.06 -2.67 -0.21 0.00 0.00 178.00 175.77 1gth n TRP 475 N -5.28 0.00 -4.57 0.65 4.27 -1.26 -4.83 117.44 106.41 1gth n TRP 475 Ca 0.35 0.00 -0.33 0.00 -3.89 0.00 0.00 57.50 53.63 1gth n TRP 475 Cb 1.17 -0.06 -0.14 0.00 -1.36 0.00 0.00 31.31 30.92 1gth n TRP 475 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 1gth s VAL 476 N -2.18 3.03 0.24 -1.67 1.01 0.06 -1.26 120.40 119.63 1gth s VAL 476 Ca 0.36 -0.65 0.10 0.00 0.00 0.00 0.00 61.98 61.79 1gth s VAL 476 Cb 0.21 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 1gth s VAL 476 CO 0.40 0.51 -0.19 -0.36 0.00 0.00 0.00 175.10 175.46 1gth s PHE 477 N 0.63 2.09 0.04 5.22 0.40 0.50 -0.94 117.98 125.92 1gth s PHE 477 Ca -0.07 -0.41 -0.04 0.00 -0.60 0.00 0.00 56.93 55.81 1gth s PHE 477 Cb -0.15 -0.95 -0.02 0.00 0.51 0.00 0.00 43.02 42.41 1gth s PHE 477 CO 0.03 0.56 0.06 0.00 0.70 0.00 0.00 175.22 176.56 1gth s ALA 478 N -2.48 0.04 0.06 5.36 0.00 -0.44 0.77 121.76 125.06 1gth s ALA 478 Ca 0.25 -0.66 -0.28 0.00 0.00 0.00 0.00 51.96 51.28 1gth s ALA 478 Cb -0.04 0.24 0.09 0.00 0.00 0.00 0.00 23.12 23.41 1gth s ALA 478 CO 0.11 -0.31 1.03 0.20 0.00 0.00 0.00 175.76 176.80 1gth s GLY 479 N -2.16 -0.33 0.00 0.00 0.00 -0.84 -4.77 107.32 99.22 1gth s GLY 479 Ca -0.05 0.55 0.00 0.00 0.00 0.00 0.00 44.72 45.22 1gth s GLY 479 CO -0.05 0.14 0.00 0.61 0.00 0.00 0.00 173.10 173.80 1gth n GLY 480 N -0.40 -1.40 0.37 0.20 0.00 -1.26 -4.27 105.19 98.43 1gth n GLY 480 Ca -0.07 -1.67 0.12 0.00 0.00 0.00 0.00 46.02 44.40 1gth n GLY 480 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1gth h ASP 481 N 0.74 0.63 -0.30 1.61 5.19 -1.91 -2.13 116.42 120.24 1gth h ASP 481 Ca 0.00 0.03 0.09 0.00 -0.62 0.00 0.00 57.03 56.53 1gth h ASP 481 Cb 0.00 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.40 1gth h ASP 481 CO 0.00 0.33 0.23 -0.29 -3.12 0.00 0.00 179.24 176.40 1gth h ILE 482 N 0.68 0.77 0.00 0.35 6.09 -1.74 -0.44 117.51 123.21 1gth h ILE 482 Ca 0.42 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.91 1gth h ILE 482 Cb 0.67 0.83 0.00 0.00 0.47 0.00 0.00 36.82 38.80 1gth h ILE 482 CO -0.18 0.00 -0.09 0.58 -3.07 0.00 0.00 178.15 175.38 1gth h VAL 483 N 0.00 0.00 0.00 2.19 2.07 -1.61 -3.39 116.25 115.51 1gth h VAL 483 Ca 0.14 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1gth h VAL 483 Cb 0.61 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1gth h VAL 483 CO -0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 1gth n GLY 484 N 1.13 0.78 0.13 2.17 0.00 -0.17 -4.91 105.19 104.33 1gth n GLY 484 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 1gth n GLY 484 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1gth n MET 485 N -2.38 0.61 -1.99 1.61 2.81 -1.26 -4.96 117.12 111.57 1gth n MET 485 Ca 0.00 0.24 -0.40 0.00 -1.81 0.00 0.00 57.70 55.73 1gth n MET 485 Cb 0.00 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 30.99 1gth n MET 485 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1gth s ALA 486 N -2.51 3.26 0.00 3.04 0.00 -1.26 -4.91 121.76 119.37 1gth s ALA 486 Ca -0.37 1.29 0.00 0.00 0.00 0.00 0.00 51.96 52.89 1gth s ALA 486 Cb 0.12 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1gth s ALA 486 CO 0.54 -0.92 0.47 0.09 0.00 0.00 0.00 175.76 175.94 1gth n ASN 487 N 0.05 0.79 -4.13 0.00 5.03 -1.26 -4.71 115.26 111.03 1gth n ASN 487 Ca 0.04 -1.20 -0.11 0.00 0.87 0.00 0.00 54.58 54.17 1gth n ASN 487 Cb 0.43 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 39.10 1gth n ASN 487 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1gth s THR 488 N -0.20 0.00 0.09 3.41 -4.23 -1.26 -5.05 115.64 108.40 1gth s THR 488 Ca 0.00 -1.83 -0.18 0.00 -1.18 0.00 0.00 61.69 58.50 1gth s THR 488 Cb 0.00 -2.42 -0.07 0.00 1.34 0.00 0.00 72.50 71.35 1gth s THR 488 CO 0.00 0.00 1.53 0.74 -0.54 0.00 0.00 174.62 176.35 1gth h THR 489 N 2.51 1.26 -0.66 3.99 2.02 -1.98 -2.32 112.91 117.72 1gth h THR 489 Ca -0.33 -0.93 -0.04 0.00 0.77 0.00 0.00 66.41 65.88 1gth h THR 489 Cb 1.25 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 68.96 1gth h THR 489 CO 0.48 0.29 0.24 1.62 0.37 0.00 0.00 175.52 178.52 1gth h VAL 490 N 0.26 1.24 -0.09 3.16 3.04 -1.97 0.07 116.25 121.96 1gth h VAL 490 Ca 0.08 -0.78 -0.11 0.00 -1.01 0.00 0.00 66.70 64.88 1gth h VAL 490 Cb 0.43 0.47 -0.01 0.00 -2.01 0.00 0.00 31.29 30.17 1gth h VAL 490 CO 0.01 0.31 -0.46 -0.33 -1.01 0.00 0.00 177.57 176.10 1gth h GLU 491 N 0.97 0.22 -0.36 4.17 5.08 -1.91 -0.89 114.58 121.86 1gth h GLU 491 Ca 0.22 -0.11 -0.16 0.00 -1.00 0.00 0.00 59.36 58.31 1gth h GLU 491 Cb 0.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1gth h GLU 491 CO -0.01 0.64 -0.38 0.77 -1.00 0.00 0.00 179.01 179.02 1gth h SER 492 N 0.18 0.96 -0.85 1.42 0.02 -0.83 -0.87 113.55 113.58 1gth h SER 492 Ca 0.01 -0.47 -0.03 0.00 -0.84 0.00 0.00 61.79 60.45 1gth h SER 492 Cb 0.88 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 63.11 1gth h SER 492 CO 0.07 1.24 0.39 0.58 -1.14 0.00 0.00 176.83 177.97 1gth h VAL 493 N 0.70 1.26 -0.58 2.27 2.07 -0.76 -2.40 116.25 118.80 1gth h VAL 493 Ca 0.05 -0.75 -0.10 0.00 0.82 0.00 0.00 66.70 66.72 1gth h VAL 493 Cb 0.98 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1gth h VAL 493 CO 0.09 0.32 -0.03 -1.13 0.02 0.00 0.00 177.57 176.84 1gth h ASN 494 N 1.21 1.02 -0.52 0.57 -1.24 -0.90 -1.11 115.58 114.61 1gth h ASN 494 Ca 0.29 -0.30 0.06 0.00 0.71 0.00 0.00 56.30 57.06 1gth h ASN 494 Cb 0.14 -0.27 -0.05 0.00 0.73 0.00 0.00 38.32 38.86 1gth h ASN 494 CO -0.03 1.09 0.22 0.44 -1.29 0.00 0.00 177.43 177.85 1gth h ASP 495 N 0.94 0.28 -0.19 1.15 5.19 -0.77 0.45 116.42 123.45 1gth h ASP 495 Ca 0.16 0.05 -0.09 0.00 -0.62 0.00 0.00 57.03 56.53 1gth h ASP 495 Cb 0.59 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.09 1gth h ASP 495 CO 0.04 0.19 -0.18 1.23 -3.12 0.00 0.00 179.24 177.40 1gth h GLY 496 N 0.43 0.66 0.78 2.75 0.00 -1.18 -0.39 103.07 106.13 1gth h GLY 496 Ca 0.24 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 1gth h GLY 496 CO -0.21 0.47 0.01 1.70 0.00 0.00 0.00 176.54 178.51 1gth h LYS 497 N 0.55 0.20 -0.24 4.80 3.64 -0.28 -1.31 116.57 123.93 1gth h LYS 497 Ca 0.09 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1gth h LYS 497 Cb 0.61 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 1gth h LYS 497 CO 0.04 0.42 0.14 0.37 -2.27 0.00 0.00 179.45 178.16 1gth h GLN 498 N -0.05 0.28 -0.88 1.90 5.75 0.05 -2.80 115.11 119.36 1gth h GLN 498 Ca 0.03 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 1gth h GLN 498 Cb 0.33 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.77 1gth h GLN 498 CO 0.00 0.19 0.50 0.00 -2.65 0.00 0.00 178.83 176.87 1gth h ALA 499 N 1.10 1.23 -0.93 3.38 0.00 -1.02 -3.01 119.26 120.01 1gth h ALA 499 Ca 0.09 -0.12 0.14 0.00 0.00 0.00 0.00 54.91 55.03 1gth h ALA 499 Cb -0.01 -0.35 -0.09 0.00 0.00 0.00 0.00 17.79 17.34 1gth h ALA 499 CO -0.04 0.64 0.54 0.66 0.00 0.00 0.00 179.25 181.05 1gth h SER 500 N 1.22 0.73 -0.44 0.00 4.64 -0.95 0.60 113.55 119.34 1gth h SER 500 Ca 0.31 0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 61.65 1gth h SER 500 Cb -0.00 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 1gth h SER 500 CO -0.05 0.34 0.08 -0.25 -0.87 0.00 0.00 176.83 176.07 1gth h TRP 501 N 0.79 0.77 0.00 4.77 2.91 -1.55 -1.47 115.95 122.17 1gth h TRP 501 Ca 0.49 -0.11 -0.04 0.00 1.13 0.00 0.00 58.89 60.37 1gth h TRP 501 Cb 0.63 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 29.06 1gth h TRP 501 CO -0.04 0.73 -0.20 1.88 -1.03 0.00 0.00 178.44 179.78 1gth h TYR 502 N 0.59 0.00 -0.34 2.65 -1.99 -1.45 -1.01 116.97 115.42 1gth h TYR 502 Ca 0.13 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.70 1gth h TYR 502 Cb 0.37 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.10 1gth h TYR 502 CO 0.03 0.20 -0.43 0.82 -0.00 0.00 0.00 178.16 178.77 1gth h ILE 503 N 0.00 1.28 -0.11 -2.88 2.04 -0.77 0.98 117.51 118.04 1gth h ILE 503 Ca -0.00 -1.61 0.00 0.00 1.00 0.00 0.00 64.86 64.25 1gth h ILE 503 Cb 1.05 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 1gth h ILE 503 CO 0.03 0.53 0.07 -0.74 0.00 0.00 0.00 178.15 178.04 1gth h HIS 504 N 0.70 0.14 -0.51 1.37 2.76 -1.02 0.66 115.15 119.24 1gth h HIS 504 Ca 0.04 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.22 1gth h HIS 504 Cb 1.03 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 29.92 1gth h HIS 504 CO 0.07 0.11 0.34 -0.22 -1.30 0.00 0.00 177.93 176.92 1gth h LYS 505 N 0.13 0.67 0.48 5.26 3.64 -1.03 -1.11 116.57 124.60 1gth h LYS 505 Ca 0.04 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1gth h LYS 505 Cb 0.00 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1gth h LYS 505 CO -0.01 0.44 -0.23 -0.92 -2.27 0.00 0.00 179.45 176.46 1gth h TYR 506 N 0.69 -0.60 -0.16 1.91 3.20 -0.42 -1.98 116.97 119.61 1gth h TYR 506 Ca 0.19 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.08 1gth h TYR 506 Cb -0.08 0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 1gth h TYR 506 CO -0.04 -0.37 -0.05 0.82 -1.64 0.00 0.00 178.16 176.87 1gth h ILE 507 N -0.66 0.80 -0.83 1.81 2.04 -0.76 -1.57 117.51 118.34 1gth h ILE 507 Ca -0.07 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.87 1gth h ILE 507 Cb 0.50 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 37.32 1gth h ILE 507 CO 0.11 0.00 0.50 1.56 0.00 0.00 0.00 178.15 180.32 1gth h GLN 508 N -0.03 0.85 -0.47 2.37 1.08 -1.19 -1.10 115.11 116.63 1gth h GLN 508 Ca 0.08 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.19 1gth h GLN 508 Cb 0.15 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.36 1gth h GLN 508 CO -0.18 0.57 0.11 0.00 -0.95 0.00 0.00 178.83 178.38 1gth h ALA 509 N 1.42 1.31 0.00 3.87 0.00 -0.84 0.63 119.26 125.64 1gth h ALA 509 Ca 0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1gth h ALA 509 Cb 0.24 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1gth h ALA 509 CO -0.20 0.49 -0.05 1.96 0.00 0.00 0.00 179.25 181.44 1gth h GLN 510 N 0.69 0.00 -0.58 0.00 1.08 -0.22 -0.10 115.11 115.98 1gth h GLN 510 Ca 0.16 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 1gth h GLN 510 Cb 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1gth h GLN 510 CO -0.00 0.05 0.00 0.66 -0.95 0.00 0.00 178.83 178.59 1gth n TYR 511 N -3.50 1.54 -1.38 2.96 4.02 -0.55 -4.94 117.16 115.31 1gth n TYR 511 Ca -0.02 -0.66 -0.08 0.00 -0.01 0.00 0.00 57.90 57.13 1gth n TYR 511 Cb 0.17 -0.31 -0.03 0.00 -0.02 0.00 0.00 39.34 39.15 1gth n TYR 511 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1gth n GLY 512 N 0.80 0.85 3.44 2.72 0.00 -0.05 -5.02 105.19 107.93 1gth n GLY 512 Ca 0.25 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 1gth n GLY 512 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gth s ALA 513 N -2.31 2.54 0.41 4.61 0.00 0.10 -4.98 121.76 122.13 1gth s ALA 513 Ca 0.00 -1.43 0.08 0.00 0.00 0.00 0.00 51.96 50.61 1gth s ALA 513 Cb 0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 1gth s ALA 513 CO 0.00 0.55 0.42 -1.54 0.00 0.00 0.00 175.76 175.19 1gth s SER 514 N -2.16 5.19 0.17 0.00 1.04 -1.26 -2.37 113.70 114.31 1gth s SER 514 Ca 0.16 -0.67 0.06 0.00 0.48 0.00 0.00 55.95 55.99 1gth s SER 514 Cb -0.10 -0.61 -0.04 0.00 0.10 0.00 0.00 66.02 65.37 1gth s SER 514 CO 0.08 -0.66 -0.13 0.68 0.98 0.00 0.00 173.24 174.19 1gth s VAL 515 N -2.44 1.47 0.41 5.02 -7.23 -1.26 -4.98 120.40 111.39 1gth s VAL 515 Ca 0.49 -2.07 -0.24 0.00 -1.81 0.00 0.00 61.98 58.35 1gth s VAL 515 Cb -0.05 -1.89 -0.11 0.00 0.56 0.00 0.00 36.38 34.89 1gth s VAL 515 CO 0.29 -0.61 0.87 -1.54 -0.31 0.00 0.00 175.10 173.80 1gth n SER 516 N -0.15 0.61 0.10 4.85 3.41 -1.26 -4.86 113.62 116.31 1gth n SER 516 Ca -0.10 1.01 -0.00 0.00 -0.26 0.00 0.00 58.87 59.51 1gth n SER 516 Cb 0.60 -1.27 0.29 0.00 -0.26 0.00 0.00 64.21 63.56 1gth n SER 516 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gth h ALA 517 N 1.33 1.27 -2.93 7.33 0.00 -2.06 -3.41 119.26 120.79 1gth h ALA 517 Ca -0.43 -0.32 -0.60 0.00 0.00 0.00 0.00 54.91 53.57 1gth h ALA 517 Cb 1.36 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.95 1gth h ALA 517 CO 0.55 0.49 -0.24 0.21 0.00 0.00 0.00 179.25 180.27 1gth s LYS 518 N -4.42 4.20 0.13 0.00 2.20 -1.26 -5.03 119.74 115.55 1gth s LYS 518 Ca -0.05 0.18 -0.35 0.00 -0.36 0.00 0.00 55.97 55.39 1gth s LYS 518 Cb 0.14 -3.51 -0.15 0.00 -1.51 0.00 0.00 37.83 32.81 1gth s LYS 518 CO 0.76 0.04 1.46 -2.30 -0.36 0.00 0.00 175.35 174.94 1gth n PRO 519 N 4.21 1.66 -3.10 4.03 -0.02 -1.26 -4.95 135.00 135.57 1gth n PRO 519 Ca -0.09 0.60 -0.23 0.00 -2.02 0.00 0.00 63.50 61.75 1gth n PRO 519 Cb 0.51 -2.30 -0.04 0.00 -0.02 0.00 0.00 33.50 31.65 1gth n PRO 519 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1gth n GLU 520 N 2.95 2.09 -2.31 -0.52 1.02 -1.26 -5.08 120.64 117.53 1gth n GLU 520 Ca 0.17 -4.14 -0.42 0.00 -0.02 0.00 0.00 57.16 52.76 1gth n GLU 520 Cb 0.24 -1.95 -0.03 0.00 -0.02 0.00 0.00 31.44 29.68 1gth n GLU 520 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1gth s LEU 521 N -2.78 4.40 0.82 -4.62 1.43 -1.26 -4.98 118.68 111.68 1gth s LEU 521 Ca 0.43 2.23 -0.11 0.00 -1.03 0.00 0.00 54.13 55.66 1gth s LEU 521 Cb 0.28 -3.59 0.09 0.00 0.03 0.00 0.00 46.19 43.00 1gth s LEU 521 CO -0.10 -0.50 1.13 -2.84 0.23 0.00 0.00 176.35 174.27 1gth s PRO 522 N 0.46 1.76 0.55 1.29 0.02 -1.26 -5.05 135.00 132.77 1gth s PRO 522 Ca 0.58 1.41 -0.07 0.00 0.02 0.00 0.00 61.00 62.94 1gth s PRO 522 Cb -0.34 -1.82 0.12 0.00 0.02 0.00 0.00 34.50 32.48 1gth s PRO 522 CO 0.33 -2.05 0.75 1.28 -0.33 0.00 0.00 177.00 176.98 1gth n LEU 523 N -3.65 0.00 -4.74 -5.54 4.77 -1.26 -4.95 117.00 101.62 1gth n LEU 523 Ca 0.11 -1.04 -0.37 0.00 -0.03 0.00 0.00 56.01 54.69 1gth n LEU 523 Cb 0.52 -0.55 -0.07 0.00 -2.33 0.00 0.00 43.42 41.00 1gth n LEU 523 CO 0.51 -0.99 -0.01 0.12 -1.33 0.00 0.00 177.39 175.69 1gth s PHE 524 N -2.45 3.48 0.14 -1.77 5.36 -1.26 -4.92 117.98 116.55 1gth s PHE 524 Ca 0.44 0.62 0.07 0.00 -0.96 0.00 0.00 56.93 57.11 1gth s PHE 524 Cb -0.02 -2.33 -0.04 0.00 -0.34 0.00 0.00 43.02 40.30 1gth s PHE 524 CO 0.31 0.28 -0.16 0.71 -1.46 0.00 0.00 175.22 174.90 1gth s TYR 525 N 0.31 1.59 0.22 10.12 1.51 -1.26 -4.86 117.35 124.98 1gth s TYR 525 Ca 0.17 -0.51 -0.03 0.00 -1.01 0.00 0.00 57.07 55.69 1gth s TYR 525 Cb -0.13 -0.82 -0.03 0.00 -0.11 0.00 0.00 41.96 40.87 1gth s TYR 525 CO 0.05 0.22 0.23 0.95 -1.11 0.00 0.00 175.55 175.88 1gth s THR 526 N -2.00 0.00 0.65 -0.71 -4.23 -1.26 -1.36 115.64 106.74 1gth s THR 526 Ca 0.11 -1.85 0.40 0.00 -1.18 0.00 0.00 61.69 59.17 1gth s THR 526 Cb -0.06 -2.44 0.42 0.00 1.34 0.00 0.00 72.50 71.76 1gth s THR 526 CO 0.04 0.00 2.30 -0.65 -0.54 0.00 0.00 174.62 175.78 1gth h PRO 527 N 2.50 0.00 -0.81 3.99 0.11 -1.93 -1.64 132.00 134.22 1gth h PRO 527 Ca -0.33 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.80 1gth h PRO 527 Cb 1.25 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 1gth h PRO 527 CO 0.48 0.00 0.54 0.28 -0.21 0.00 0.00 178.00 179.08 1gth h VAL 528 N 0.00 1.17 0.00 3.15 2.07 -1.94 -1.94 116.25 118.76 1gth h VAL 528 Ca 0.00 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1gth h VAL 528 Cb 0.09 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.88 1gth h VAL 528 CO -0.00 0.19 0.00 0.47 0.02 0.00 0.00 177.57 178.25 1gth n ASP 529 N -4.43 0.62 0.01 0.57 10.43 -0.62 -1.43 116.55 121.71 1gth n ASP 529 Ca 0.10 0.74 0.12 0.00 2.57 0.00 0.00 54.79 58.32 1gth n ASP 529 Cb 0.06 -0.84 0.30 0.00 1.84 0.00 0.00 41.12 42.48 1gth n ASP 529 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1gth n LEU 530 N -2.29 0.45 -4.72 0.64 4.77 -0.73 -4.91 117.00 110.22 1gth n LEU 530 Ca -0.00 0.12 -0.42 0.00 -0.03 0.00 0.00 56.01 55.68 1gth n LEU 530 Cb 0.10 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 40.88 1gth n LEU 530 CO 0.13 0.08 1.33 -0.69 -1.33 0.00 0.00 177.39 176.91 1gth s VAL 531 N -3.03 2.18 -0.24 4.08 1.01 -0.51 -4.95 120.40 118.94 1gth s VAL 531 Ca 0.11 0.13 -0.25 0.00 0.00 0.00 0.00 61.98 61.96 1gth s VAL 531 Cb 0.17 -3.08 -0.00 0.00 0.00 0.00 0.00 36.38 33.46 1gth s VAL 531 CO 0.68 0.01 0.87 -0.62 0.00 0.00 0.00 175.10 176.04 1gth s ASP 532 N 1.15 6.89 -0.22 3.32 -1.08 -1.26 -4.93 116.67 120.54 1gth s ASP 532 Ca 0.73 1.11 0.11 0.00 -0.52 0.00 0.00 52.55 53.99 1gth s ASP 532 Cb -0.48 -2.46 0.43 0.00 -1.46 0.00 0.00 42.92 38.95 1gth s ASP 532 CO 0.32 -0.55 1.29 2.30 0.52 0.00 0.00 175.17 179.05 1gth n ILE 533 N 5.26 2.27 -1.92 4.11 -5.35 -1.26 -4.56 119.36 117.92 1gth n ILE 533 Ca 0.07 -2.95 -0.31 0.00 -0.27 0.00 0.00 62.75 59.29 1gth n ILE 533 Cb 0.47 -0.26 0.02 0.00 -1.74 0.00 0.00 39.64 38.13 1gth n ILE 533 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1gth s SER 534 N -2.96 6.08 -0.05 7.28 1.04 -1.22 -3.76 113.70 120.11 1gth s SER 534 Ca 0.39 1.33 -0.21 0.00 0.48 0.00 0.00 55.95 57.94 1gth s SER 534 Cb 0.37 -2.35 0.04 0.00 0.10 0.00 0.00 66.02 64.18 1gth s SER 534 CO -0.03 -0.94 0.48 0.54 0.98 0.00 0.00 173.24 174.26 1gth s VAL 535 N -3.19 0.03 -0.08 5.02 0.11 -0.64 -4.43 120.40 117.22 1gth s VAL 535 Ca 0.55 -0.23 0.00 0.00 -2.93 0.00 0.00 61.98 59.38 1gth s VAL 535 Cb -0.11 -0.77 -0.03 0.00 -1.53 0.00 0.00 36.38 33.94 1gth s VAL 535 CO 0.53 -0.12 -0.07 -1.61 -3.33 0.00 0.00 175.10 170.50 1gth s GLU 536 N -1.03 2.84 -0.19 1.54 2.02 -1.26 -0.96 118.70 121.66 1gth s GLU 536 Ca -0.11 -0.55 -0.09 0.00 0.02 0.00 0.00 54.97 54.25 1gth s GLU 536 Cb -0.03 -2.62 0.07 0.00 0.10 0.00 0.00 34.13 31.65 1gth s GLU 536 CO 0.06 0.62 0.43 1.41 0.02 0.00 0.00 175.26 177.80 1gth s MET 537 N -0.69 0.39 -1.48 1.61 1.75 -0.13 -4.90 119.30 115.85 1gth s MET 537 Ca 0.11 0.90 -0.11 0.00 -1.25 0.00 0.00 55.69 55.33 1gth s MET 537 Cb -0.11 0.11 0.07 0.00 2.84 0.00 0.00 34.83 37.73 1gth s MET 537 CO 0.02 -0.19 0.85 0.00 -0.65 0.00 0.00 175.02 175.05 1gth n ALA 538 N 4.64 -1.19 -0.97 4.11 0.00 -1.26 -0.91 120.51 124.93 1gth n ALA 538 Ca -0.18 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1gth n ALA 538 Cb 0.54 -4.16 0.00 0.00 0.00 0.00 0.00 19.45 15.82 1gth n ALA 538 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gth n GLY 539 N -1.59 0.82 3.82 0.00 0.00 -1.26 -4.86 105.19 102.13 1gth n GLY 539 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1gth n GLY 539 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gth s LEU 540 N 0.00 4.07 -0.25 0.99 1.43 -0.09 -5.09 118.68 119.74 1gth s LEU 540 Ca 0.00 0.25 -0.06 0.00 -1.03 0.00 0.00 54.13 53.28 1gth s LEU 540 Cb 0.00 -2.30 -0.02 0.00 0.03 0.00 0.00 46.19 43.90 1gth s LEU 540 CO 0.00 0.30 0.04 -0.54 0.23 0.00 0.00 176.35 176.38 1gth s LYS 541 N -1.63 3.48 -0.17 1.70 1.02 -1.26 -0.95 119.74 121.93 1gth s LYS 541 Ca 0.22 -0.58 -0.06 0.00 0.02 0.00 0.00 55.97 55.57 1gth s LYS 541 Cb -0.12 -3.25 -0.03 0.00 -0.52 0.00 0.00 37.83 33.91 1gth s LYS 541 CO 0.13 -0.24 0.02 -0.06 -0.92 0.00 0.00 175.35 174.28 1gth s PHE 542 N 1.56 3.15 0.32 3.18 0.40 -0.13 -4.78 117.98 121.68 1gth s PHE 542 Ca 0.06 -0.08 0.21 0.00 -0.60 0.00 0.00 56.93 56.52 1gth s PHE 542 Cb -0.15 -2.02 1.04 0.00 0.51 0.00 0.00 43.02 42.40 1gth s PHE 542 CO 0.02 0.08 1.91 -0.84 0.70 0.00 0.00 175.22 177.08 1gth h ILE 543 N 4.98 0.80 -3.14 0.64 3.07 -1.82 -1.71 117.51 120.34 1gth h ILE 543 Ca -0.34 -0.98 -0.07 0.00 1.55 0.00 0.00 64.86 65.01 1gth h ILE 543 Cb 1.18 1.60 -0.15 0.00 -0.27 0.00 0.00 36.82 39.17 1gth h ILE 543 CO 0.67 0.24 -0.09 0.54 -1.05 0.00 0.00 178.15 178.46 1gth s ASN 544 N -6.42 -0.27 0.00 2.16 2.20 -1.26 -3.46 114.94 107.89 1gth s ASN 544 Ca -0.02 -0.10 0.17 0.00 -0.94 0.00 0.00 52.86 51.98 1gth s ASN 544 Cb 0.13 0.44 1.03 0.00 -2.00 0.00 0.00 41.25 40.85 1gth s ASN 544 CO 0.65 -0.73 1.65 -0.81 -2.94 0.00 0.00 177.10 174.92 1gth n PRO 545 N 0.26 0.97 -3.58 3.55 -0.04 -1.25 -4.45 135.00 130.47 1gth n PRO 545 Ca -0.18 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 62.92 1gth n PRO 545 Cb 0.61 -1.28 -0.07 0.00 -0.04 0.00 0.00 33.50 32.72 1gth n PRO 545 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1gth s PHE 546 N -2.00 3.47 0.09 0.54 0.40 -1.26 0.61 117.98 119.83 1gth s PHE 546 Ca 0.26 0.57 -0.06 0.00 -0.60 0.00 0.00 56.93 57.10 1gth s PHE 546 Cb 0.12 -2.29 -0.02 0.00 0.51 0.00 0.00 43.02 41.34 1gth s PHE 546 CO 0.20 0.29 0.13 0.20 0.70 0.00 0.00 175.22 176.74 1gth s GLY 547 N 0.29 0.33 -0.09 4.36 0.00 0.15 -1.12 107.32 111.24 1gth s GLY 547 Ca 0.16 -0.90 -0.25 0.00 0.00 0.00 0.00 44.72 43.72 1gth s GLY 547 CO 0.03 -1.01 0.81 1.08 0.00 0.00 0.00 173.10 174.02 1gth s LEU 548 N -2.91 4.27 0.79 0.66 1.43 -0.85 -0.26 118.68 121.81 1gth s LEU 548 Ca 0.09 1.28 -0.11 0.00 -1.03 0.00 0.00 54.13 54.36 1gth s LEU 548 Cb 0.06 -3.24 0.07 0.00 0.03 0.00 0.00 46.19 43.10 1gth s LEU 548 CO -0.08 -0.26 1.09 0.00 0.23 0.00 0.00 176.35 177.33 1gth s ALA 549 N 1.37 2.18 -0.30 4.21 0.00 -0.41 -1.23 121.76 127.58 1gth s ALA 549 Ca 0.41 -0.01 -0.29 0.00 0.00 0.00 0.00 51.96 52.07 1gth s ALA 549 Cb -0.18 -3.18 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 1gth s ALA 549 CO 0.18 -1.77 1.73 0.45 0.00 0.00 0.00 175.76 176.35 1gth s SER 550 N -3.66 6.04 0.00 0.00 0.15 -1.26 -4.55 113.70 110.42 1gth s SER 550 Ca 0.61 1.37 0.00 0.00 0.70 0.00 0.00 55.95 58.63 1gth s SER 550 Cb -0.16 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 1gth s SER 550 CO 0.55 -1.57 0.00 0.00 1.20 0.00 0.00 173.24 173.42 1gth n ALA 551 N 9.71 0.00 -0.29 5.45 0.00 -1.26 -4.88 120.51 129.24 1gth n ALA 551 Ca 0.22 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.80 1gth n ALA 551 Cb 0.46 0.00 0.40 0.00 0.00 0.00 0.00 19.45 20.31 1gth n ALA 551 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gth h ALA 552 N 2.00 1.90 0.00 0.00 0.00 -1.97 0.51 119.26 121.70 1gth h ALA 552 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1gth h ALA 552 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1gth h ALA 552 CO 0.00 -0.19 0.00 -2.30 0.00 0.00 0.00 179.25 176.76 1gth n PRO 553 N -4.60 0.11 -1.14 0.00 -0.02 -1.26 -2.19 135.00 125.90 1gth n PRO 553 Ca 0.20 0.45 -0.06 0.00 -2.02 0.00 0.00 63.50 62.06 1gth n PRO 553 Cb 0.57 -1.76 0.14 0.00 -0.02 0.00 0.00 33.50 32.43 1gth n PRO 553 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1gth n THR 554 N -1.98 2.39 -0.17 3.45 -2.24 0.16 -4.61 114.28 111.27 1gth n THR 554 Ca 0.01 -3.53 0.01 0.00 -2.27 0.00 0.00 64.05 58.27 1gth n THR 554 Cb 0.14 -0.58 0.28 0.00 -2.10 0.00 0.00 70.33 68.06 1gth n THR 554 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1gth h THR 555 N 1.41 1.17 -3.99 4.28 2.02 -1.36 -3.13 112.91 113.32 1gth h THR 555 Ca 0.17 -0.32 -0.39 0.00 0.77 0.00 0.00 66.41 66.64 1gth h THR 555 Cb 1.25 0.17 -0.23 0.00 -1.74 0.00 0.00 68.15 67.59 1gth h THR 555 CO 0.34 0.17 -0.77 -0.44 0.37 0.00 0.00 175.52 175.19 1gth s SER 556 N -6.42 1.38 0.52 4.18 0.01 -1.26 -4.90 113.70 107.21 1gth s SER 556 Ca -0.10 -0.49 0.26 0.00 1.31 0.00 0.00 55.95 56.93 1gth s SER 556 Cb 0.18 -0.05 1.42 0.00 0.21 0.00 0.00 66.02 67.77 1gth s SER 556 CO 0.77 -0.05 2.07 0.77 0.41 0.00 0.00 173.24 177.21 1gth h SER 557 N 4.76 0.00 0.28 2.44 4.64 -1.97 -1.54 113.55 122.15 1gth h SER 557 Ca -0.37 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.90 1gth h SER 557 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 1gth h SER 557 CO 0.43 0.12 -0.23 0.77 -0.87 0.00 0.00 176.83 177.05 1gth h SER 558 N 0.00 0.00 0.24 4.97 4.64 -1.98 -1.61 113.55 119.82 1gth h SER 558 Ca -0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 1gth h SER 558 Cb 0.32 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1gth h SER 558 CO 0.02 0.23 -0.79 0.24 -0.87 0.00 0.00 176.83 175.65 1gth h MET 559 N 0.00 0.44 -0.62 4.77 2.07 -1.61 -2.75 114.93 117.23 1gth h MET 559 Ca -0.00 -0.39 -0.09 0.00 -2.07 0.00 0.00 59.70 57.14 1gth h MET 559 Cb 0.43 0.09 -0.02 0.00 -1.87 0.00 0.00 31.60 30.23 1gth h MET 559 CO 0.03 1.04 0.03 0.82 1.07 0.00 0.00 176.91 179.90 1gth h ILE 560 N 0.29 1.27 -0.23 -1.22 2.04 -1.31 -0.90 117.51 117.45 1gth h ILE 560 Ca -0.05 -1.12 0.04 0.00 1.00 0.00 0.00 64.86 64.73 1gth h ILE 560 Cb 1.39 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 1gth h ILE 560 CO 0.14 0.41 0.01 -0.09 0.00 0.00 0.00 178.15 178.62 1gth h ARG 561 N 0.98 0.08 -0.23 2.37 2.43 -1.25 0.56 114.38 119.32 1gth h ARG 561 Ca 0.18 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 1gth h ARG 561 Cb 0.52 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1gth h ARG 561 CO 0.03 0.05 -0.05 0.00 -1.51 0.00 0.00 179.97 178.49 1gth h ARG 562 N 0.08 0.35 -0.54 0.20 3.08 -1.22 -0.08 114.38 116.25 1gth h ARG 562 Ca 0.11 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 59.97 1gth h ARG 562 Cb 0.13 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1gth h ARG 562 CO -0.17 0.43 -0.12 0.00 -1.07 0.00 0.00 179.97 179.04 1gth h ALA 563 N 1.61 0.75 -0.42 0.04 0.00 -0.24 -0.30 119.26 120.70 1gth h ALA 563 Ca 0.07 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 1gth h ALA 563 Cb 0.31 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1gth h ALA 563 CO 0.01 0.67 -0.23 0.74 0.00 0.00 0.00 179.25 180.44 1gth h PHE 564 N 0.92 0.98 -0.24 0.00 0.04 -0.27 -1.43 116.94 116.94 1gth h PHE 564 Ca 0.14 -0.23 -0.04 0.00 2.80 0.00 0.00 57.97 60.64 1gth h PHE 564 Cb 0.69 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 1gth h PHE 564 CO 0.05 1.00 -0.03 0.93 -0.60 0.00 0.00 178.31 179.65 1gth h GLU 565 N 0.74 0.36 0.00 1.51 5.08 -0.70 -1.43 114.58 120.14 1gth h GLU 565 Ca 0.10 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 1gth h GLU 565 Cb 0.77 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1gth h GLU 565 CO 0.06 0.41 -0.57 0.00 -1.00 0.00 0.00 179.01 177.92 1gth h ALA 566 N 1.63 0.97 0.00 3.43 0.00 -0.57 -3.47 119.26 121.25 1gth h ALA 566 Ca 0.08 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1gth h ALA 566 Cb 0.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1gth h ALA 566 CO 0.01 0.71 0.00 0.41 0.00 0.00 0.00 179.25 180.38 1gth n GLY 567 N 0.27 0.26 3.73 0.00 0.00 -0.54 -4.76 105.19 104.15 1gth n GLY 567 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1gth n GLY 567 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1gth n TRP 568 N 0.00 2.77 -0.27 1.61 7.02 -0.72 -4.91 117.44 122.94 1gth n TRP 568 Ca 0.00 0.25 -0.07 0.00 -1.02 0.00 0.00 57.50 56.66 1gth n TRP 568 Cb 0.00 -2.59 0.05 0.00 -2.42 0.00 0.00 31.31 26.35 1gth n TRP 568 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 1gth h GLY 569 N 4.99 1.22 -1.77 6.99 0.00 -1.34 -3.43 103.07 109.73 1gth h GLY 569 Ca -0.46 -0.72 -0.11 0.00 0.00 0.00 0.00 47.33 46.04 1gth h GLY 569 CO 0.81 0.67 -0.03 -0.11 0.00 0.00 0.00 176.54 177.88 1gth s PHE 570 N -5.43 0.51 -0.03 5.60 -0.12 -1.11 -2.26 117.98 115.14 1gth s PHE 570 Ca -0.12 -0.90 -0.25 0.00 -0.05 0.00 0.00 56.93 55.60 1gth s PHE 570 Cb 0.15 0.28 0.05 0.00 -0.63 0.00 0.00 43.02 42.88 1gth s PHE 570 CO 0.84 -1.19 0.55 0.00 -0.05 0.00 0.00 175.22 175.37 1gth s ALA 571 N -3.29 -1.43 -0.02 1.99 0.00 -0.49 -2.01 121.76 116.51 1gth s ALA 571 Ca 0.23 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.15 1gth s ALA 571 Cb -0.02 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 1gth s ALA 571 CO 0.13 -0.34 0.04 -0.51 0.00 0.00 0.00 175.76 175.08 1gth s LEU 572 N -1.27 3.70 0.65 0.00 2.01 -0.36 -1.19 118.68 122.21 1gth s LEU 572 Ca -0.12 0.09 -0.11 0.00 0.01 0.00 0.00 54.13 54.00 1gth s LEU 572 Cb -0.02 -2.09 -0.02 0.00 0.01 0.00 0.00 46.19 44.08 1gth s LEU 572 CO 0.08 0.30 1.05 0.42 1.01 0.00 0.00 176.35 179.20 1gth s THR 573 N -1.10 4.34 0.63 5.49 -4.23 -0.66 -4.45 115.64 115.66 1gth s THR 573 Ca 0.20 0.76 -0.18 0.00 -1.18 0.00 0.00 61.69 61.29 1gth s THR 573 Cb -0.12 -3.72 -0.02 0.00 1.34 0.00 0.00 72.50 69.99 1gth s THR 573 CO 0.10 -0.99 1.23 -0.75 -0.54 0.00 0.00 174.62 173.67 1gth s LYS 574 N -5.20 2.73 0.14 3.99 2.47 -1.19 -4.18 119.74 118.51 1gth s LYS 574 Ca 0.56 1.89 -0.31 0.00 -1.56 0.00 0.00 55.97 56.55 1gth s LYS 574 Cb -0.11 -1.89 -0.10 0.00 -1.46 0.00 0.00 37.83 34.26 1gth s LYS 574 CO 0.54 -1.41 1.69 0.99 0.16 0.00 0.00 175.35 177.32 1gth s THR 575 N -1.59 2.58 0.35 3.43 2.01 -1.26 -4.56 115.64 116.61 1gth s THR 575 Ca 0.79 0.27 0.07 0.00 0.31 0.00 0.00 61.69 63.12 1gth s THR 575 Cb -0.32 -3.17 -0.07 0.00 0.01 0.00 0.00 72.50 68.95 1gth s THR 575 CO 0.37 0.01 -0.02 0.72 -0.69 0.00 0.00 174.62 175.00 1gth s PHE 576 N 1.94 2.27 0.29 4.92 -0.12 -0.33 0.20 117.98 127.15 1gth s PHE 576 Ca 0.75 -0.68 0.03 0.00 -0.05 0.00 0.00 56.93 56.98 1gth s PHE 576 Cb -0.45 -1.44 -0.01 0.00 -0.63 0.00 0.00 43.02 40.49 1gth s PHE 576 CO 0.33 0.37 0.31 -1.13 -0.05 0.00 0.00 175.22 175.05 1gth n SER 577 N -0.79 -0.83 -4.76 1.98 3.41 -1.26 -1.76 113.62 109.62 1gth n SER 577 Ca -0.05 -2.76 -0.32 0.00 -0.26 0.00 0.00 58.87 55.49 1gth n SER 577 Cb 0.65 1.72 0.08 0.00 -0.26 0.00 0.00 64.21 66.40 1gth n SER 577 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1gth s LEU 578 N 0.00 3.12 0.39 1.04 1.43 -1.26 -3.95 118.68 119.45 1gth s LEU 578 Ca 0.30 1.91 0.12 0.00 -1.03 0.00 0.00 54.13 55.43 1gth s LEU 578 Cb 0.01 -4.53 0.92 0.00 0.03 0.00 0.00 46.19 42.61 1gth s LEU 578 CO 0.21 -2.01 1.89 0.44 0.23 0.00 0.00 176.35 177.11 1gth h ASP 579 N -0.84 0.54 0.61 2.29 5.19 -2.00 -1.37 116.42 120.83 1gth h ASP 579 Ca -0.44 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.00 1gth h ASP 579 Cb 1.24 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.67 1gth h ASP 579 CO 0.51 0.28 0.00 0.07 -3.12 0.00 0.00 179.24 176.98 1gth h LYS 580 N 0.58 0.00 -0.51 3.56 2.10 -2.04 -2.55 116.57 117.71 1gth h LYS 580 Ca 0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.06 1gth h LYS 580 Cb 0.77 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.10 1gth h LYS 580 CO -0.17 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.03 1gth n ASP 581 N -2.97 4.51 -4.63 7.07 8.00 -0.52 -5.02 116.55 122.99 1gth n ASP 581 Ca -0.01 -2.61 -0.45 0.00 0.71 0.00 0.00 54.79 52.44 1gth n ASP 581 Cb 0.21 -0.55 -0.02 0.00 -0.02 0.00 0.00 41.12 40.74 1gth n ASP 581 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gth n ILE 582 N 0.58 1.53 -4.33 0.53 0.13 -0.96 -4.92 119.36 111.91 1gth n ILE 582 Ca 0.23 -0.38 -0.25 0.00 -1.10 0.00 0.00 62.75 61.25 1gth n ILE 582 Cb 0.89 -1.23 -0.09 0.00 -0.84 0.00 0.00 39.64 38.37 1gth n ILE 582 CO 0.00 0.00 0.00 0.68 2.80 0.00 0.00 176.55 180.03 1gth s VAL 583 N -0.65 2.50 -0.07 9.51 -7.23 -1.26 -5.13 120.40 118.06 1gth s VAL 583 Ca 0.63 -1.92 -0.02 0.00 -1.81 0.00 0.00 61.98 58.86 1gth s VAL 583 Cb -0.68 -2.86 0.03 0.00 0.56 0.00 0.00 36.38 33.43 1gth s VAL 583 CO 0.56 -0.14 0.02 -0.89 -0.31 0.00 0.00 175.10 174.35 1gth s THR 584 N -2.56 0.22 0.71 5.32 2.01 -1.26 -4.69 115.64 115.40 1gth s THR 584 Ca 0.36 0.19 -0.11 0.00 0.31 0.00 0.00 61.69 62.44 1gth s THR 584 Cb 0.02 -0.43 0.02 0.00 0.01 0.00 0.00 72.50 72.12 1gth s THR 584 CO 0.20 0.21 1.07 0.20 -0.69 0.00 0.00 174.62 175.61 1gth s ASN 585 N 2.03 5.13 0.52 3.53 0.01 -1.26 -5.00 114.94 119.90 1gth s ASN 585 Ca 0.05 1.69 0.07 0.00 -0.71 0.00 0.00 52.86 53.96 1gth s ASN 585 Cb -0.12 -2.51 0.03 0.00 0.41 0.00 0.00 41.25 39.06 1gth s ASN 585 CO -0.05 -1.62 0.45 0.68 -1.51 0.00 0.00 177.10 175.06 1gth s VAL 586 N -2.97 1.98 -0.13 1.60 -7.23 -1.26 -5.12 120.40 107.27 1gth s VAL 586 Ca 0.59 -1.39 -0.16 0.00 -1.81 0.00 0.00 61.98 59.22 1gth s VAL 586 Cb -0.15 -2.37 0.04 0.00 0.56 0.00 0.00 36.38 34.46 1gth s VAL 586 CO 0.54 0.00 0.43 -0.94 -0.31 0.00 0.00 175.10 174.82 1gth s SER 587 N -4.30 -0.42 0.74 4.85 1.04 -1.26 -4.37 113.70 109.99 1gth s SER 587 Ca 0.42 0.73 -0.11 0.00 0.48 0.00 0.00 55.95 57.47 1gth s SER 587 Cb -0.03 0.77 0.04 0.00 0.10 0.00 0.00 66.02 66.90 1gth s SER 587 CO 0.26 -0.23 1.09 -2.16 0.98 0.00 0.00 173.24 173.18 1gth s PRO 588 N -0.12 2.43 0.00 4.02 0.04 -1.26 -4.57 135.00 135.54 1gth s PRO 588 Ca -0.03 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1gth s PRO 588 Cb -0.03 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1gth s PRO 588 CO 0.02 -1.52 0.00 2.89 0.04 0.00 0.00 177.00 178.43 1gth n ARG 589 N -3.29 0.00 -3.80 4.56 1.85 -1.26 -4.77 116.66 109.95 1gth n ARG 589 Ca 0.09 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.69 1gth n ARG 589 Cb 0.53 -0.04 -0.17 0.00 -1.05 0.00 0.00 32.46 31.73 1gth n ARG 589 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1gth s ILE 590 N 0.00 0.58 0.23 8.89 1.01 -1.26 -0.45 121.20 130.20 1gth s ILE 590 Ca 0.00 -0.10 0.09 0.00 0.00 0.00 0.00 60.65 60.64 1gth s ILE 590 Cb 0.00 -0.76 -0.05 0.00 0.01 0.00 0.00 42.46 41.67 1gth s ILE 590 CO 0.00 0.21 -0.16 0.68 0.00 0.00 0.00 174.94 175.67 1gth s VAL 591 N 1.88 1.97 0.56 2.92 -7.23 -0.36 -4.98 120.40 115.16 1gth s VAL 591 Ca 0.04 -2.27 -0.17 0.00 -1.81 0.00 0.00 61.98 57.76 1gth s VAL 591 Cb -0.13 -2.13 -0.05 0.00 0.56 0.00 0.00 36.38 34.63 1gth s VAL 591 CO -0.06 -0.53 1.06 0.00 -0.31 0.00 0.00 175.10 175.26 1gth s ARG 592 N -3.60 3.42 0.57 4.82 1.70 -1.26 -1.54 118.95 123.06 1gth s ARG 592 Ca 0.25 1.30 -0.15 0.00 -0.47 0.00 0.00 55.73 56.65 1gth s ARG 592 Cb -0.02 -2.04 -0.05 0.00 -0.57 0.00 0.00 34.95 32.27 1gth s ARG 592 CO 0.09 -0.74 1.02 0.20 -1.08 0.00 0.00 175.30 174.80 1gth s GLY 593 N -2.45 2.02 -0.09 3.88 0.00 0.97 -4.69 107.32 106.97 1gth s GLY 593 Ca 0.66 0.24 0.13 0.00 0.00 0.00 0.00 44.72 45.74 1gth s GLY 593 CO 0.31 0.53 1.26 -1.30 0.00 0.00 0.00 173.10 173.90 1gth n THR 594 N -1.99 1.65 0.33 0.90 -2.24 -1.26 -4.68 114.28 106.99 1gth n THR 594 Ca 0.07 -1.57 0.11 0.00 -2.27 0.00 0.00 64.05 60.39 1gth n THR 594 Cb 0.53 0.08 0.49 0.00 -2.10 0.00 0.00 70.33 69.33 1gth n THR 594 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1gth n THR 595 N -0.40 0.92 -2.33 4.28 -2.24 -1.26 -3.21 114.28 110.04 1gth n THR 595 Ca 0.14 0.36 0.02 0.00 -2.27 0.00 0.00 64.05 62.30 1gth n THR 595 Cb 0.61 -1.30 0.07 0.00 -2.10 0.00 0.00 70.33 67.61 1gth n THR 595 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1gth n SER 596 N -2.18 1.52 0.00 3.42 3.41 -1.26 -5.06 113.62 113.47 1gth n SER 596 Ca 0.01 -2.54 0.00 0.00 -0.26 0.00 0.00 58.87 56.08 1gth n SER 596 Cb 0.17 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 1gth n SER 596 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gth n GLY 597 N -0.12 -2.18 2.45 5.00 0.00 -1.20 -4.46 105.19 104.69 1gth n GLY 597 Ca 0.12 -1.48 -0.31 0.00 0.00 0.00 0.00 46.02 44.35 1gth n GLY 597 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1gth n PRO 598 N -0.42 2.94 -3.83 1.61 -0.04 -1.26 -4.84 135.00 129.15 1gth n PRO 598 Ca 0.00 -1.85 -0.36 0.00 -0.04 0.00 0.00 63.50 61.25 1gth n PRO 598 Cb 0.00 -2.63 -0.13 0.00 -0.04 0.00 0.00 33.50 30.69 1gth n PRO 598 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1gth s MET 599 N 2.76 3.01 0.27 0.54 1.75 -1.26 -5.10 119.30 121.26 1gth s MET 599 Ca 0.55 -0.89 0.07 0.00 -1.25 0.00 0.00 55.69 54.17 1gth s MET 599 Cb 0.14 -3.23 -0.04 0.00 2.84 0.00 0.00 34.83 34.54 1gth s MET 599 CO -0.05 -0.42 0.18 0.71 -0.65 0.00 0.00 175.02 174.79 1gth s TYR 600 N 1.44 3.02 0.00 4.11 1.51 -1.26 -4.93 117.35 121.24 1gth s TYR 600 Ca 0.02 -0.16 0.00 0.00 -1.01 0.00 0.00 57.07 55.92 1gth s TYR 600 Cb -0.17 -1.44 0.00 0.00 -0.11 0.00 0.00 41.96 40.24 1gth s TYR 600 CO 0.00 0.48 0.00 0.41 -1.11 0.00 0.00 175.55 175.33 1gth n GLY 601 N -1.17 0.94 3.71 0.71 0.00 -1.26 -5.00 105.19 103.13 1gth n GLY 601 Ca -0.07 -1.47 -0.37 0.00 0.00 0.00 0.00 46.02 44.11 1gth n GLY 601 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1gth n PRO 602 N 2.39 1.18 -3.40 1.61 -0.04 -1.26 -4.03 135.00 131.45 1gth n PRO 602 Ca 0.00 0.45 -0.20 0.00 -0.04 0.00 0.00 63.50 63.72 1gth n PRO 602 Cb 0.00 -2.47 0.07 0.00 -0.04 0.00 0.00 33.50 31.06 1gth n PRO 602 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1gth n GLY 603 N 0.97 -0.30 3.70 0.55 0.00 -1.26 -4.95 105.19 103.88 1gth n GLY 603 Ca 0.14 0.10 -0.44 0.00 0.00 0.00 0.00 46.02 45.83 1gth n GLY 603 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1gth n GLN 604 N -4.23 2.26 0.00 1.61 1.13 -1.26 -4.84 117.38 112.04 1gth n GLN 604 Ca -0.02 0.80 0.12 0.00 -1.94 0.00 0.00 57.00 55.95 1gth n GLN 604 Cb 0.56 -2.49 0.59 0.00 0.11 0.00 0.00 30.24 29.01 1gth n GLN 604 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1gth n SER 605 N 2.03 0.00 -3.67 1.08 3.41 -1.26 -4.75 113.62 110.46 1gth n SER 605 Ca 0.10 -0.01 0.03 0.00 -0.26 0.00 0.00 58.87 58.73 1gth n SER 605 Cb 0.34 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1gth n SER 605 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1gth s SER 606 N -2.61 -0.01 0.05 4.04 1.04 -1.26 -0.65 113.70 114.30 1gth s SER 606 Ca 0.22 -0.05 -0.05 0.00 0.48 0.00 0.00 55.95 56.54 1gth s SER 606 Cb 0.16 0.05 -0.02 0.00 0.10 0.00 0.00 66.02 66.32 1gth s SER 606 CO 0.37 -0.10 0.08 -0.36 0.98 0.00 0.00 173.24 174.20 1gth s PHE 607 N -2.10 0.26 -0.04 5.02 0.40 -0.75 -0.02 117.98 120.75 1gth s PHE 607 Ca 0.19 -0.62 0.03 0.00 -0.60 0.00 0.00 56.93 55.93 1gth s PHE 607 Cb 0.05 -0.18 0.00 0.00 0.51 0.00 0.00 43.02 43.40 1gth s PHE 607 CO -0.05 -0.39 -0.13 -1.17 0.70 0.00 0.00 175.22 174.19 1gth s LEU 608 N -2.35 1.80 0.08 -0.37 0.20 -0.59 -0.82 118.68 116.63 1gth s LEU 608 Ca -0.02 -0.27 0.05 0.00 0.69 0.00 0.00 54.13 54.58 1gth s LEU 608 Cb 0.01 -0.76 -0.03 0.00 -0.43 0.00 0.00 46.19 44.99 1gth s LEU 608 CO -0.06 0.09 -0.12 0.54 -0.29 0.00 0.00 176.35 176.50 1gth s ASN 609 N 0.23 1.54 -0.23 3.68 2.20 -0.45 -1.23 114.94 120.69 1gth s ASN 609 Ca -0.06 -0.66 0.13 0.00 -0.94 0.00 0.00 52.86 51.34 1gth s ASN 609 Cb -0.11 -0.03 0.46 0.00 -2.00 0.00 0.00 41.25 39.57 1gth s ASN 609 CO 0.02 -0.13 1.18 2.30 -2.94 0.00 0.00 177.10 177.52 1gth n ILE 610 N 1.12 1.95 -2.67 0.54 -5.35 0.40 -0.75 119.36 114.60 1gth n ILE 610 Ca -0.20 -3.39 -0.31 0.00 -0.27 0.00 0.00 62.75 58.57 1gth n ILE 610 Cb 0.55 -0.23 -0.04 0.00 -1.74 0.00 0.00 39.64 38.18 1gth n ILE 610 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1gth s GLU 611 N -3.17 3.90 0.00 6.28 2.12 -1.26 -4.81 118.70 121.77 1gth s GLU 611 Ca 0.41 0.74 0.00 0.00 0.36 0.00 0.00 54.97 56.49 1gth s GLU 611 Cb 0.38 -2.27 0.00 0.00 0.26 0.00 0.00 34.13 32.51 1gth s GLU 611 CO -0.02 -0.13 0.00 1.28 -0.54 0.00 0.00 175.26 175.85 1gth n LEU 612 N -1.31 0.00 0.00 2.70 4.77 -1.26 -4.95 117.00 116.95 1gth n LEU 612 Ca 0.05 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.01 1gth n LEU 612 Cb 0.54 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.64 1gth n LEU 612 CO 0.46 0.00 0.04 2.30 -1.33 0.00 0.00 177.39 178.86 1gth n ILE 613 N 0.00 0.00 -1.82 -0.08 -5.35 -1.26 -4.97 119.36 105.87 1gth n ILE 613 Ca 0.00 -0.05 -0.40 0.00 -0.27 0.00 0.00 62.75 62.03 1gth n ILE 613 Cb 0.00 -1.85 0.02 0.00 -1.74 0.00 0.00 39.64 36.07 1gth n ILE 613 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1gth s SER 614 N -1.31 5.91 0.00 7.28 0.15 0.13 -4.90 113.70 120.95 1gth s SER 614 Ca 0.04 2.90 0.26 0.00 0.70 0.00 0.00 55.95 59.84 1gth s SER 614 Cb -0.00 -2.65 0.60 0.00 -1.71 0.00 0.00 66.02 62.26 1gth s SER 614 CO 0.03 -1.15 1.47 -0.62 1.20 0.00 0.00 173.24 174.17 1gth n GLU 615 N -0.17 0.35 -3.33 5.44 1.02 -1.26 -4.52 120.64 118.16 1gth n GLU 615 Ca 0.05 -0.20 -0.34 0.00 -0.02 0.00 0.00 57.16 56.65 1gth n GLU 615 Cb 0.42 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.29 1gth n GLU 615 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1gth s LYS 616 N -2.79 3.94 0.81 3.49 1.02 -1.26 -4.87 119.74 120.08 1gth s LYS 616 Ca 0.17 0.46 -0.11 0.00 0.02 0.00 0.00 55.97 56.51 1gth s LYS 616 Cb 0.18 -2.76 0.08 0.00 -0.52 0.00 0.00 37.83 34.81 1gth s LYS 616 CO 0.63 0.37 1.09 0.95 -0.92 0.00 0.00 175.35 177.47 1gth s THR 617 N -1.66 3.12 0.39 2.17 -4.23 -1.26 -4.78 115.64 109.39 1gth s THR 617 Ca 0.44 0.36 0.11 0.00 -1.18 0.00 0.00 61.69 61.42 1gth s THR 617 Cb -0.13 -2.92 0.14 0.00 1.34 0.00 0.00 72.50 70.93 1gth s THR 617 CO 0.20 -0.47 1.89 0.00 -0.54 0.00 0.00 174.62 175.70 1gth h ALA 618 N -1.23 1.49 -0.31 3.99 0.00 -1.93 -1.81 119.26 119.45 1gth h ALA 618 Ca -0.46 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.19 1gth h ALA 618 Cb 1.25 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1gth h ALA 618 CO 0.54 0.37 0.14 0.00 0.00 0.00 0.00 179.25 180.30 1gth h ALA 619 N 1.66 0.41 -0.07 0.00 0.00 -1.92 0.22 119.26 119.56 1gth h ALA 619 Ca 0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1gth h ALA 619 Cb 0.47 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1gth h ALA 619 CO 0.03 -0.01 0.04 -0.92 0.00 0.00 0.00 179.25 178.39 1gth h TYR 620 N 0.36 0.09 -0.66 0.00 3.20 -1.83 -1.45 116.97 116.68 1gth h TYR 620 Ca 0.11 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 1gth h TYR 620 Cb 0.16 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 1gth h TYR 620 CO -0.01 0.08 0.18 -1.49 -1.64 0.00 0.00 178.16 175.28 1gth h TRP 621 N 0.06 1.10 -0.46 -3.82 4.06 -1.14 -0.36 115.95 115.39 1gth h TRP 621 Ca 0.02 -0.12 -0.14 0.00 2.06 0.00 0.00 58.89 60.71 1gth h TRP 621 Cb 0.02 -0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 27.86 1gth h TRP 621 CO -0.06 0.90 -0.25 0.00 -3.56 0.00 0.00 178.44 175.46 1gth h GLN 623 N 0.83 1.06 -0.88 0.00 4.15 -1.16 -2.47 115.11 116.64 1gth h GLN 623 Ca 0.10 -0.34 -0.02 0.00 0.77 0.00 0.00 58.65 59.16 1gth h GLN 623 Cb 0.84 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.39 1gth h GLN 623 CO 0.07 1.04 0.48 0.77 -1.93 0.00 0.00 178.83 179.26 1gth h SER 624 N 0.96 1.10 -0.68 -0.69 0.02 -0.77 -1.60 113.55 111.89 1gth h SER 624 Ca 0.17 -0.10 -0.07 0.00 -0.84 0.00 0.00 61.79 60.95 1gth h SER 624 Cb 0.58 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 1gth h SER 624 CO 0.03 0.88 0.15 0.58 -1.14 0.00 0.00 176.83 177.34 1gth h VAL 625 N 1.23 1.26 -0.53 2.27 2.07 -0.83 0.47 116.25 122.19 1gth h VAL 625 Ca 0.31 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 1gth h VAL 625 Cb 0.03 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1gth h VAL 625 CO -0.05 0.37 0.27 0.74 0.02 0.00 0.00 177.57 178.92 1gth h THR 626 N 1.03 1.19 0.35 2.57 2.02 -1.06 -0.10 112.91 118.90 1gth h THR 626 Ca 0.21 -0.52 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 1gth h THR 626 Cb 0.39 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1gth h THR 626 CO 0.01 0.21 -0.17 -0.33 0.37 0.00 0.00 175.52 175.61 1gth h GLU 627 N 0.70 -0.45 -0.54 6.66 5.08 -0.93 -1.53 114.58 123.58 1gth h GLU 627 Ca 0.18 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.62 1gth h GLU 627 Cb 0.09 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 1gth h GLU 627 CO -0.03 -0.28 0.27 -0.07 -1.00 0.00 0.00 179.01 177.91 1gth h LEU 628 N -0.51 0.39 -1.18 1.33 3.38 -0.76 -1.26 115.31 116.71 1gth h LEU 628 Ca -0.05 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 1gth h LEU 628 Cb 0.38 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1gth h LEU 628 CO 0.08 0.26 -0.38 0.11 0.09 0.00 0.00 178.44 178.60 1gth h LYS 629 N 0.52 0.00 -0.29 1.13 1.79 -0.96 0.27 116.57 119.03 1gth h LYS 629 Ca 0.24 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.55 1gth h LYS 629 Cb 0.15 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1gth h LYS 629 CO -0.17 0.38 -0.44 0.00 -1.08 0.00 0.00 179.45 178.14 1gth h ALA 630 N 1.62 0.44 0.00 3.86 0.00 -0.60 -2.99 119.26 121.60 1gth h ALA 630 Ca -0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 1gth h ALA 630 Cb 0.75 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1gth h ALA 630 CO 0.05 0.58 -0.95 -0.44 0.00 0.00 0.00 179.25 178.49 1gth h ASP 631 N 0.58 0.00 -2.07 0.00 3.32 -1.02 -3.40 116.42 113.83 1gth h ASP 631 Ca 0.03 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.51 1gth h ASP 631 Cb 1.04 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.19 1gth h ASP 631 CO 0.10 0.36 -0.94 0.49 -1.72 0.00 0.00 179.24 177.54 1gth n PHE 632 N -2.94 1.13 0.20 4.55 3.01 0.94 -4.96 117.46 119.38 1gth n PHE 632 Ca -0.03 -3.79 0.16 0.00 1.01 0.00 0.00 57.45 54.80 1gth n PHE 632 Cb 0.71 -0.43 0.79 0.00 -0.01 0.00 0.00 39.48 40.55 1gth n PHE 632 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1gth h PRO 633 N 3.91 0.00 0.00 -1.08 0.13 -1.74 -2.18 132.00 131.04 1gth h PRO 633 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1gth h PRO 633 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1gth h PRO 633 CO 0.60 0.00 -0.62 -0.25 -0.23 0.00 0.00 178.00 177.50 1gth n ASP 634 N -4.02 0.57 -4.72 1.44 8.00 -1.26 -4.83 116.55 111.74 1gth n ASP 634 Ca 0.01 -0.21 -0.38 0.00 0.71 0.00 0.00 54.79 54.93 1gth n ASP 634 Cb 0.29 0.34 -0.06 0.00 -0.02 0.00 0.00 41.12 41.67 1gth n ASP 634 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1gth s ASN 635 N -3.35 6.63 0.01 -2.24 -0.87 -0.82 -4.54 114.94 109.76 1gth s ASN 635 Ca 0.09 0.74 -0.30 0.00 -1.57 0.00 0.00 52.86 51.82 1gth s ASN 635 Cb 0.16 -2.27 -0.04 0.00 -0.02 0.00 0.00 41.25 39.08 1gth s ASN 635 CO 0.73 0.01 1.14 -0.63 -2.57 0.00 0.00 177.10 175.78 1gth s ILE 636 N 0.65 4.31 -0.20 0.60 -1.09 -0.96 -4.95 121.20 119.57 1gth s ILE 636 Ca 0.24 1.65 -0.01 0.00 -2.23 0.00 0.00 60.65 60.29 1gth s ILE 636 Cb -0.15 -4.06 0.00 0.00 -1.58 0.00 0.00 42.46 36.68 1gth s ILE 636 CO 0.09 0.09 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.08 1gth s VAL 637 N 1.37 2.72 -0.18 2.92 1.01 -1.26 -1.39 120.40 125.58 1gth s VAL 637 Ca 0.56 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.80 1gth s VAL 637 Cb -0.26 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 1gth s VAL 637 CO 0.27 0.48 -0.09 -0.63 0.00 0.00 0.00 175.10 175.14 1gth s ILE 638 N 1.32 3.18 -0.19 2.22 1.01 -0.33 -1.55 121.20 126.86 1gth s ILE 638 Ca 0.04 -0.58 -0.23 0.00 0.00 0.00 0.00 60.65 59.89 1gth s ILE 638 Cb -0.14 -2.40 -0.02 0.00 0.01 0.00 0.00 42.46 39.91 1gth s ILE 638 CO -0.07 0.47 0.71 0.00 0.00 0.00 0.00 174.94 176.05 1gth s ALA 639 N 1.01 3.55 -0.18 9.38 0.00 -0.59 -1.65 121.76 133.27 1gth s ALA 639 Ca -0.01 -0.17 -0.16 0.00 0.00 0.00 0.00 51.96 51.63 1gth s ALA 639 Cb -0.15 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 1gth s ALA 639 CO -0.01 -0.63 0.38 0.45 0.00 0.00 0.00 175.76 175.95 1gth s SER 640 N 1.21 6.46 0.11 0.00 0.15 -1.26 -0.45 113.70 119.92 1gth s SER 640 Ca 0.32 0.54 0.03 0.00 0.70 0.00 0.00 55.95 57.54 1gth s SER 640 Cb -0.16 -2.23 -0.04 0.00 -1.71 0.00 0.00 66.02 61.89 1gth s SER 640 CO 0.11 -0.03 -0.08 0.27 1.20 0.00 0.00 173.24 174.70 1gth s ILE 641 N 1.05 0.86 -0.10 6.45 -4.36 -0.56 -1.18 121.20 123.36 1gth s ILE 641 Ca 0.19 -1.83 -0.08 0.00 -0.26 0.00 0.00 60.65 58.67 1gth s ILE 641 Cb -0.14 -1.57 0.03 0.00 1.25 0.00 0.00 42.46 42.02 1gth s ILE 641 CO 0.07 -0.73 0.25 -0.32 0.24 0.00 0.00 174.94 174.45 1gth s MET 642 N -3.39 0.28 0.10 0.37 1.75 -0.72 -1.59 119.30 116.09 1gth s MET 642 Ca 0.10 0.37 -0.04 0.00 -1.25 0.00 0.00 55.69 54.87 1gth s MET 642 Cb 0.01 0.11 -0.03 0.00 2.84 0.00 0.00 34.83 37.77 1gth s MET 642 CO -0.02 -0.05 0.08 0.00 -0.65 0.00 0.00 175.02 174.38 1gth s SER 644 N -2.96 2.04 -1.07 0.00 1.04 -1.26 -4.82 113.70 106.67 1gth s SER 644 Ca 0.14 0.35 -0.22 0.00 0.48 0.00 0.00 55.95 56.70 1gth s SER 644 Cb 0.07 -0.41 -0.09 0.00 0.10 0.00 0.00 66.02 65.68 1gth s SER 644 CO -0.05 -3.41 1.92 0.00 0.98 0.00 0.00 173.24 172.69 1gth n TYR 645 N -4.23 2.65 -3.65 5.02 9.36 -1.26 -4.78 117.16 120.28 1gth n TYR 645 Ca 0.15 -1.73 -0.22 0.00 3.32 0.00 0.00 57.90 59.42 1gth n TYR 645 Cb 0.59 -2.34 -0.18 0.00 -0.63 0.00 0.00 39.34 36.79 1gth n TYR 645 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1gth s ASN 646 N 5.73 1.59 0.12 2.98 3.84 -1.26 -5.06 114.94 122.88 1gth s ASN 646 Ca 0.63 -0.18 -0.20 0.00 0.21 0.00 0.00 52.86 53.33 1gth s ASN 646 Cb 0.05 -0.17 -0.05 0.00 -0.55 0.00 0.00 41.25 40.53 1gth s ASN 646 CO 0.12 -0.29 1.75 0.50 -2.79 0.00 0.00 177.10 176.39 1gth h LYS 647 N 8.43 0.16 -0.72 0.43 3.64 -1.99 -2.25 116.57 124.26 1gth h LYS 647 Ca -0.13 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.24 1gth h LYS 647 Cb 1.13 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.88 1gth h LYS 647 CO 0.20 0.11 0.48 -0.91 -2.27 0.00 0.00 179.45 177.06 1gth h ASN 648 N 0.16 0.84 0.08 4.20 2.35 -1.98 -1.77 115.58 119.46 1gth h ASN 648 Ca 0.08 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1gth h ASN 648 Cb 0.04 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.20 1gth h ASN 648 CO -0.08 0.61 -0.04 0.44 -1.65 0.00 0.00 177.43 176.72 1gth h ASP 649 N 0.98 -0.09 -0.95 5.81 3.32 -1.89 0.61 116.42 124.20 1gth h ASP 649 Ca 0.26 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.31 1gth h ASP 649 Cb -0.11 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.42 1gth h ASP 649 CO -0.06 -0.03 0.63 -0.50 -1.72 0.00 0.00 179.24 177.56 1gth h TRP 650 N -0.14 1.18 -0.40 4.55 4.06 -1.26 -0.59 115.95 123.35 1gth h TRP 650 Ca -0.01 0.03 -0.15 0.00 2.06 0.00 0.00 58.89 60.82 1gth h TRP 650 Cb 0.11 -0.40 -0.01 0.00 -1.00 0.00 0.00 29.16 27.87 1gth h TRP 650 CO -0.06 0.71 -0.34 0.52 -3.56 0.00 0.00 178.44 175.71 1gth h MET 651 N 1.25 0.92 0.11 0.49 2.86 -1.07 -1.65 114.93 117.85 1gth h MET 651 Ca 0.37 -0.45 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1gth h MET 651 Cb -0.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.60 1gth h MET 651 CO -0.10 1.11 -0.05 1.49 1.06 0.00 0.00 176.91 180.42 1gth h GLU 652 N 0.77 -0.14 -0.33 1.72 4.81 -0.38 -2.38 114.58 118.65 1gth h GLU 652 Ca 0.07 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1gth h GLU 652 Cb 0.92 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 1gth h GLU 652 CO 0.09 0.14 0.07 1.25 -0.73 0.00 0.00 179.01 179.82 1gth h LEU 653 N -0.43 0.51 -1.13 1.64 5.85 -1.16 -1.47 115.31 119.13 1gth h LEU 653 Ca -0.02 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 1gth h LEU 653 Cb 0.35 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1gth h LEU 653 CO 0.03 0.62 0.36 0.77 -0.34 0.00 0.00 178.44 179.88 1gth h SER 654 N 0.38 0.87 0.16 1.25 4.64 -1.36 -0.72 113.55 118.78 1gth h SER 654 Ca 0.10 -0.08 -0.15 0.00 -0.47 0.00 0.00 61.79 61.20 1gth h SER 654 Cb 0.32 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1gth h SER 654 CO 0.00 0.71 -0.55 0.03 -0.87 0.00 0.00 176.83 176.16 1gth h ARG 655 N 0.97 0.41 -0.56 4.77 3.08 -1.27 0.16 114.38 121.94 1gth h ARG 655 Ca 0.24 -0.26 -0.11 0.00 0.07 0.00 0.00 59.98 59.92 1gth h ARG 655 Cb 0.05 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1gth h ARG 655 CO -0.04 0.85 -0.10 -0.22 -1.07 0.00 0.00 179.97 179.39 1gth h LYS 656 N 0.32 1.05 -0.26 0.04 3.64 -0.70 -0.76 116.57 119.90 1gth h LYS 656 Ca 0.01 -0.39 -0.06 0.00 -1.27 0.00 0.00 60.65 58.93 1gth h LYS 656 Cb 1.06 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 1gth h LYS 656 CO 0.09 1.08 -0.09 0.00 -2.27 0.00 0.00 179.45 178.27 1gth h ALA 657 N 0.93 0.35 -0.64 5.00 0.00 -0.95 -2.79 119.26 121.17 1gth h ALA 657 Ca 0.14 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1gth h ALA 657 Cb 0.68 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1gth h ALA 657 CO 0.05 0.19 0.40 1.49 0.00 0.00 0.00 179.25 181.38 1gth h GLU 658 N 0.25 0.78 0.00 0.00 4.81 -0.84 -2.38 114.58 117.19 1gth h GLU 658 Ca 0.06 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1gth h GLU 658 Cb 0.58 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 1gth h GLU 658 CO 0.03 0.51 -0.14 0.00 -0.73 0.00 0.00 179.01 178.68 1gth h ALA 659 N 1.26 1.36 0.00 2.92 0.00 -1.07 -2.11 119.26 121.62 1gth h ALA 659 Ca 0.25 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1gth h ALA 659 Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1gth h ALA 659 CO -0.09 0.18 0.00 -1.13 0.00 0.00 0.00 179.25 178.21 1gth n SER 660 N -3.78 0.69 0.00 0.00 3.41 -0.90 -4.87 113.62 108.16 1gth n SER 660 Ca -0.02 0.66 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 1gth n SER 660 Cb 0.25 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 1gth n SER 660 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gth n GLY 661 N 0.15 1.02 3.72 5.00 0.00 -0.79 -3.27 105.19 111.02 1gth n GLY 661 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1gth n GLY 661 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gth n ALA 662 N -1.13 1.62 0.20 4.61 0.00 -1.23 -4.89 120.51 119.70 1gth n ALA 662 Ca 0.00 0.35 0.07 0.00 0.00 0.00 0.00 53.44 53.86 1gth n ALA 662 Cb 0.00 -2.30 0.36 0.00 0.00 0.00 0.00 19.45 17.50 1gth n ALA 662 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1gth h ASP 663 N 2.66 0.00 -5.37 0.00 5.19 -1.66 -3.46 116.42 113.77 1gth h ASP 663 Ca -0.48 0.00 0.17 0.00 -0.62 0.00 0.00 57.03 56.10 1gth h ASP 663 Cb 1.27 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.73 1gth h ASP 663 CO 0.63 0.33 0.54 0.00 -3.12 0.00 0.00 179.24 177.62 1gth s ALA 664 N -3.59 -1.61 0.18 3.45 0.00 -1.23 -4.29 121.76 114.68 1gth s ALA 664 Ca 0.00 -0.12 0.08 0.00 0.00 0.00 0.00 51.96 51.93 1gth s ALA 664 Cb 0.10 0.69 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 1gth s ALA 664 CO 0.67 -1.05 -0.17 -0.51 0.00 0.00 0.00 175.76 174.70 1gth s LEU 665 N -3.17 2.48 -0.12 0.00 1.43 -0.86 -1.54 118.68 116.90 1gth s LEU 665 Ca 0.17 -0.91 0.01 0.00 -1.03 0.00 0.00 54.13 52.36 1gth s LEU 665 Cb -0.02 -0.78 0.02 0.00 0.03 0.00 0.00 46.19 45.44 1gth s LEU 665 CO 0.04 -0.08 -0.12 -0.70 0.23 0.00 0.00 176.35 175.72 1gth s GLU 666 N -3.07 1.94 -0.42 1.70 2.12 0.40 -0.22 118.70 121.15 1gth s GLU 666 Ca 0.18 -0.44 -0.22 0.00 0.36 0.00 0.00 54.97 54.85 1gth s GLU 666 Cb -0.04 -1.79 0.02 0.00 0.26 0.00 0.00 34.13 32.58 1gth s GLU 666 CO 0.07 -0.17 0.72 -0.51 -0.54 0.00 0.00 175.26 174.83 1gth s LEU 667 N 1.33 4.30 -0.85 2.70 1.02 0.14 -1.50 118.68 125.82 1gth s LEU 667 Ca -0.00 -0.06 -0.25 0.00 0.02 0.00 0.00 54.13 53.83 1gth s LEU 667 Cb -0.14 -2.88 0.04 0.00 0.02 0.00 0.00 46.19 43.23 1gth s LEU 667 CO -0.06 -0.80 1.34 0.21 0.02 0.00 0.00 176.35 177.06 1gth s ASN 668 N 2.00 6.29 -0.25 2.29 3.84 -0.62 -0.86 114.94 127.63 1gth s ASN 668 Ca 0.27 -0.85 0.10 0.00 0.21 0.00 0.00 52.86 52.60 1gth s ASN 668 Cb -0.13 -2.56 0.47 0.00 -0.55 0.00 0.00 41.25 38.48 1gth s ASN 668 CO 0.20 -1.71 1.36 0.18 -2.79 0.00 0.00 177.10 174.35 1gth n LEU 669 N 9.16 3.55 -0.35 3.21 4.77 -1.21 -4.51 117.00 131.62 1gth n LEU 669 Ca 0.14 -3.79 0.00 0.00 -0.03 0.00 0.00 56.01 52.34 1gth n LEU 669 Cb 0.50 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1gth n LEU 669 CO 0.69 1.29 0.25 -1.54 -1.33 0.00 0.00 177.39 176.74 1gth n SER 670 N -1.12 0.00 -4.64 -1.43 3.41 -1.24 -3.01 113.62 105.59 1gth n SER 670 Ca 0.27 -1.67 -0.43 0.00 -0.26 0.00 0.00 58.87 56.78 1gth n SER 670 Cb 0.89 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.68 1gth n SER 670 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gth n PRO 672 N 7.64 0.69 -3.48 0.00 -0.04 -1.26 -2.27 135.00 136.28 1gth n PRO 672 Ca 0.20 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.56 1gth n PRO 672 Cb 0.44 -1.42 -0.02 0.00 -0.04 0.00 0.00 33.50 32.46 1gth n PRO 672 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1gth s HIS 673 N -2.00 -0.43 0.00 0.54 -3.43 -1.26 -4.86 115.29 103.85 1gth s HIS 673 Ca 0.28 0.30 0.00 0.00 -0.80 0.00 0.00 55.06 54.84 1gth s HIS 673 Cb 0.13 0.54 0.00 0.00 -1.43 0.00 0.00 32.58 31.82 1gth s HIS 673 CO 0.21 -0.65 0.00 0.41 -2.00 0.00 0.00 174.74 172.71 1gth n GLY 674 N -0.22 1.58 0.30 -1.38 0.00 -1.26 -4.32 105.19 99.89 1gth n GLY 674 Ca -0.12 -0.01 0.18 0.00 0.00 0.00 0.00 46.02 46.07 1gth n GLY 674 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1gth h MET 675 N 0.00 0.00 -0.62 1.61 2.86 -1.87 -2.62 114.93 114.28 1gth h MET 675 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1gth h MET 675 Cb 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1gth h MET 675 CO 0.00 0.03 0.24 0.78 1.06 0.00 0.00 176.91 179.02 1gth h GLY 676 N 0.69 0.98 2.00 8.32 0.00 -1.72 -0.05 103.07 113.29 1gth h GLY 676 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1gth h GLY 676 CO 0.00 0.48 0.00 0.83 0.00 0.00 0.00 176.54 177.86 1gth h GLU 677 N 0.89 0.00 -0.59 4.80 5.08 -1.75 -1.41 114.58 121.61 1gth h GLU 677 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1gth h GLU 677 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1gth h GLU 677 CO -0.02 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.53 1gth n ARG 678 N -2.61 2.52 -2.25 2.33 1.74 -0.66 -4.94 116.66 112.80 1gth n ARG 678 Ca 0.02 -2.34 0.00 0.00 -0.77 0.00 0.00 57.85 54.76 1gth n ARG 678 Cb 0.28 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 1gth n ARG 678 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gth n GLY 679 N 1.54 0.79 0.06 -0.13 0.00 -0.53 -4.91 105.19 102.00 1gth n GLY 679 Ca 0.22 -0.72 -0.00 0.00 0.00 0.00 0.00 46.02 45.51 1gth n GLY 679 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1gth n MET 680 N -0.65 0.01 0.00 1.61 2.81 -0.12 -3.99 117.12 116.78 1gth n MET 680 Ca 0.00 -0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 1gth n MET 680 Cb 0.48 0.05 0.00 0.00 -0.71 0.00 0.00 33.22 33.04 1gth n MET 680 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1gth n GLY 681 N -0.01 2.35 0.11 3.03 0.00 -1.26 -2.96 105.19 106.45 1gth n GLY 681 Ca 0.00 -0.35 -0.11 0.00 0.00 0.00 0.00 46.02 45.56 1gth n GLY 681 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1gth h LEU 682 N 0.00 0.25 -0.94 0.99 3.38 -1.60 -2.34 115.31 115.04 1gth h LEU 682 Ca 0.00 -0.21 0.25 0.00 0.09 0.00 0.00 57.88 58.01 1gth h LEU 682 Cb 0.00 -0.07 -0.18 0.00 0.09 0.00 0.00 40.66 40.51 1gth h LEU 682 CO 0.00 0.39 -0.02 0.00 0.09 0.00 0.00 178.44 178.90 1gth n ALA 683 N -2.25 0.44 0.11 1.53 0.00 -1.25 0.14 120.51 119.23 1gth n ALA 683 Ca -0.05 1.02 0.00 0.00 0.00 0.00 0.00 53.44 54.41 1gth n ALA 683 Cb 0.15 -0.72 -0.02 0.00 0.00 0.00 0.00 19.45 18.86 1gth n ALA 683 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gth n GLY 685 N 1.28 0.03 0.00 0.00 0.00 0.37 -3.73 105.19 103.14 1gth n GLY 685 Ca -0.00 -0.45 0.08 0.00 0.00 0.00 0.00 46.02 45.65 1gth n GLY 685 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1gth n GLN 686 N 0.21 1.32 -3.74 1.61 6.02 0.41 -4.66 117.38 118.55 1gth n GLN 686 Ca 0.19 -0.01 -0.38 0.00 -0.01 0.00 0.00 57.00 56.79 1gth n GLN 686 Cb 0.36 -1.31 -0.12 0.00 1.02 0.00 0.00 30.24 30.19 1gth n GLN 686 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1gth s ASP 687 N -2.68 5.34 0.30 1.08 -1.08 -1.25 -5.00 116.67 113.38 1gth s ASP 687 Ca 0.06 -1.09 0.05 0.00 -0.52 0.00 0.00 52.55 51.05 1gth s ASP 687 Cb 0.13 -1.89 0.78 0.00 -1.46 0.00 0.00 42.92 40.48 1gth s ASP 687 CO 0.70 -0.32 1.68 -0.65 0.52 0.00 0.00 175.17 177.10 1gth h PRO 688 N 8.24 0.35 -0.19 4.34 0.11 -1.89 -1.16 132.00 141.81 1gth h PRO 688 Ca -0.24 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.85 1gth h PRO 688 Cb 1.09 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1gth h PRO 688 CO 0.61 0.23 0.11 1.49 -0.21 0.00 0.00 178.00 180.23 1gth h GLU 689 N 0.36 0.23 -0.49 1.05 4.81 -1.94 0.05 114.58 118.64 1gth h GLU 689 Ca 0.58 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.73 1gth h GLU 689 Cb 1.16 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 1gth h GLU 689 CO -0.56 0.15 0.03 -0.07 -0.73 0.00 0.00 179.01 177.83 1gth h LEU 690 N 0.23 0.83 -0.57 1.64 3.38 -1.54 -2.13 115.31 117.16 1gth h LEU 690 Ca 0.08 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.78 1gth h LEU 690 Cb -0.00 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 1gth h LEU 690 CO -0.04 0.91 0.35 0.58 0.09 0.00 0.00 178.44 180.34 1gth h VAL 691 N 0.72 1.07 -0.47 1.22 2.07 -1.05 -1.33 116.25 118.47 1gth h VAL 691 Ca 0.14 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1gth h VAL 691 Cb 0.47 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1gth h VAL 691 CO 0.02 0.13 0.31 -0.09 0.02 0.00 0.00 177.57 177.96 1gth h ARG 692 N 0.69 0.62 -0.44 1.57 2.43 -0.75 -2.20 114.38 116.30 1gth h ARG 692 Ca 0.23 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.27 1gth h ARG 692 Cb 0.02 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1gth h ARG 692 CO -0.10 0.41 -0.10 -0.91 -1.51 0.00 0.00 179.97 177.76 1gth h ASN 693 N 0.64 0.86 -0.72 -3.80 2.35 -1.05 -1.76 115.58 112.09 1gth h ASN 693 Ca 0.17 -0.36 -0.01 0.00 -0.55 0.00 0.00 56.30 55.55 1gth h ASN 693 Cb -0.07 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.03 1gth h ASN 693 CO -0.04 1.02 0.40 0.40 -1.65 0.00 0.00 177.43 177.56 1gth h ILE 694 N 0.68 1.22 -0.42 2.81 2.04 -1.15 -0.47 117.51 122.22 1gth h ILE 694 Ca 0.11 -0.55 -0.06 0.00 1.00 0.00 0.00 64.86 65.36 1gth h ILE 694 Cb 0.64 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1gth h ILE 694 CO 0.04 0.24 -0.01 0.00 0.00 0.00 0.00 178.15 178.43 1gth h ARG 696 N 0.64 0.88 -0.76 0.00 3.08 -0.62 0.86 114.38 118.45 1gth h ARG 696 Ca 0.13 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1gth h ARG 696 Cb 0.41 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 1gth h ARG 696 CO 0.02 0.84 0.45 -1.49 -1.07 0.00 0.00 179.97 178.72 1gth h TRP 697 N 0.77 1.01 -0.17 3.04 6.55 -0.71 -2.25 115.95 124.18 1gth h TRP 697 Ca 0.17 -0.00 -0.14 0.00 0.95 0.00 0.00 58.89 59.86 1gth h TRP 697 Cb 0.37 -0.33 0.00 0.00 -0.86 0.00 0.00 29.16 28.35 1gth h TRP 697 CO 0.03 0.68 -0.45 0.28 -1.05 0.00 0.00 178.44 177.92 1gth h VAL 698 N 1.04 1.33 -1.00 1.49 2.07 -1.16 -2.47 116.25 117.55 1gth h VAL 698 Ca 0.27 -1.71 0.10 0.00 0.82 0.00 0.00 66.70 66.18 1gth h VAL 698 Cb -0.03 1.97 -0.08 0.00 -1.52 0.00 0.00 31.29 31.63 1gth h VAL 698 CO -0.05 0.53 0.64 -0.09 0.02 0.00 0.00 177.57 178.61 1gth h ARG 699 N 0.27 1.04 0.00 1.57 9.65 -0.68 -0.52 114.38 125.70 1gth h ARG 699 Ca -0.01 -0.06 -0.06 0.00 -1.10 0.00 0.00 59.98 58.74 1gth h ARG 699 Cb 1.07 -0.23 -0.01 0.00 -1.39 0.00 0.00 29.97 29.40 1gth h ARG 699 CO 0.10 0.69 -0.30 0.37 2.80 0.00 0.00 179.97 183.62 1gth h GLN 700 N 1.07 0.00 0.07 0.20 4.15 -1.40 -3.32 115.11 115.88 1gth h GLN 700 Ca 0.47 0.00 -0.29 0.00 0.77 0.00 0.00 58.65 59.59 1gth h GLN 700 Cb 0.35 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.02 1gth h GLN 700 CO -0.22 0.30 -1.55 0.00 -1.93 0.00 0.00 178.83 175.43 1gth h ALA 701 N 1.70 0.44 -2.17 3.38 0.00 -0.65 -3.48 119.26 118.47 1gth h ALA 701 Ca -0.00 -1.21 -0.41 0.00 0.00 0.00 0.00 54.91 53.29 1gth h ALA 701 Cb 1.00 0.32 -0.14 0.00 0.00 0.00 0.00 17.79 18.97 1gth h ALA 701 CO 0.04 1.30 -0.67 0.14 0.00 0.00 0.00 179.25 180.06 1gth s VAL 702 N -2.62 1.24 -0.14 0.00 -7.23 -0.60 -4.78 120.40 106.27 1gth s VAL 702 Ca -0.08 -2.07 0.17 0.00 -1.81 0.00 0.00 61.98 58.19 1gth s VAL 702 Cb 0.08 -2.31 -0.24 0.00 0.56 0.00 0.00 36.38 34.47 1gth s VAL 702 CO 0.83 -0.37 0.15 0.00 -0.31 0.00 0.00 175.10 175.40 1gth n GLN 703 N -0.44 0.98 -1.28 4.82 1.13 -1.26 -4.75 117.38 116.58 1gth n GLN 703 Ca -0.06 -0.05 -0.31 0.00 -1.94 0.00 0.00 57.00 54.64 1gth n GLN 703 Cb 0.63 -1.45 0.09 0.00 0.11 0.00 0.00 30.24 29.62 1gth n GLN 703 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 1gth s ILE 704 N -2.65 3.35 0.71 5.09 -4.36 -1.26 -4.99 121.20 117.08 1gth s ILE 704 Ca -0.08 0.44 -0.13 0.00 -0.26 0.00 0.00 60.65 60.63 1gth s ILE 704 Cb 0.07 -2.94 0.03 0.00 1.25 0.00 0.00 42.46 40.87 1gth s ILE 704 CO 0.74 -0.57 1.10 -2.16 0.24 0.00 0.00 174.94 174.29 1gth s PRO 705 N -4.88 2.56 -0.00 0.37 0.04 -1.26 -4.89 135.00 126.94 1gth s PRO 705 Ca 0.61 1.25 -0.10 0.00 0.04 0.00 0.00 61.00 62.80 1gth s PRO 705 Cb -0.17 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.45 1gth s PRO 705 CO 0.55 -1.42 0.20 -0.59 0.04 0.00 0.00 177.00 175.79 1gth s PHE 706 N -2.66 -0.05 0.02 0.56 -0.12 -1.26 -2.02 117.98 112.45 1gth s PHE 706 Ca 0.63 0.03 0.06 0.00 -0.05 0.00 0.00 56.93 57.61 1gth s PHE 706 Cb -0.18 0.01 -0.02 0.00 -0.63 0.00 0.00 43.02 42.20 1gth s PHE 706 CO 0.49 -0.32 -0.19 -0.06 -0.05 0.00 0.00 175.22 175.09 1gth s PHE 707 N -1.34 1.65 -0.21 3.49 0.40 0.69 -1.32 117.98 121.35 1gth s PHE 707 Ca -0.14 -0.34 -0.18 0.00 -0.60 0.00 0.00 56.93 55.66 1gth s PHE 707 Cb -0.07 -1.01 -0.03 0.00 0.51 0.00 0.00 43.02 42.42 1gth s PHE 707 CO 0.03 0.04 0.51 0.00 0.70 0.00 0.00 175.22 176.49 1gth s ALA 708 N -0.66 3.55 -0.38 5.36 0.00 -0.96 0.26 121.76 128.95 1gth s ALA 708 Ca 0.06 -0.44 -0.23 0.00 0.00 0.00 0.00 51.96 51.35 1gth s ALA 708 Cb -0.08 -2.82 0.01 0.00 0.00 0.00 0.00 23.12 20.24 1gth s ALA 708 CO 0.01 -0.49 0.79 0.21 0.00 0.00 0.00 175.76 176.28 1gth s LYS 709 N 1.73 3.71 0.28 0.00 2.20 -0.04 -1.13 119.74 126.50 1gth s LYS 709 Ca 0.23 0.26 -0.11 0.00 -0.36 0.00 0.00 55.97 56.00 1gth s LYS 709 Cb -0.15 -3.83 -0.07 0.00 -1.51 0.00 0.00 37.83 32.27 1gth s LYS 709 CO 0.09 -0.89 0.63 -0.51 -0.36 0.00 0.00 175.35 174.32 1gth s LEU 710 N 3.13 4.09 0.11 5.43 1.43 -0.16 -3.33 118.68 129.38 1gth s LEU 710 Ca 0.31 1.03 -0.08 0.00 -1.03 0.00 0.00 54.13 54.36 1gth s LEU 710 Cb -0.13 -3.82 -0.06 0.00 0.03 0.00 0.00 46.19 42.21 1gth s LEU 710 CO 0.18 -0.16 0.41 0.28 0.23 0.00 0.00 176.35 177.28 1gth s THR 711 N -1.95 5.10 -1.08 5.49 -1.32 -1.26 -1.05 115.64 119.56 1gth s THR 711 Ca 0.49 0.33 0.26 0.00 -1.21 0.00 0.00 61.69 61.56 1gth s THR 711 Cb -0.11 -3.63 0.06 0.00 -1.51 0.00 0.00 72.50 67.31 1gth s THR 711 CO 0.22 0.18 1.49 -0.81 -2.21 0.00 0.00 174.62 173.49 1gth n PRO 712 N 0.57 0.09 -1.38 7.08 -0.04 -1.26 -4.49 135.00 135.57 1gth n PRO 712 Ca -0.06 -0.05 -0.36 0.00 -0.04 0.00 0.00 63.50 63.00 1gth n PRO 712 Cb 0.52 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.44 1gth n PRO 712 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1gth n ASN 713 N -1.41 8.25 -3.84 3.54 3.02 -1.26 -4.82 115.26 118.73 1gth n ASN 713 Ca 0.06 -2.66 -0.10 0.00 -0.03 0.00 0.00 54.58 51.85 1gth n ASN 713 Cb 0.34 -1.51 -0.08 0.00 -0.61 0.00 0.00 39.78 37.91 1gth n ASN 713 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1gth s VAL 714 N 1.47 0.11 0.18 2.41 -7.23 -1.26 -4.99 120.40 111.08 1gth s VAL 714 Ca 0.67 -0.89 -0.13 0.00 -1.81 0.00 0.00 61.98 59.82 1gth s VAL 714 Cb 0.20 -0.93 0.09 0.00 0.56 0.00 0.00 36.38 36.30 1gth s VAL 714 CO -0.06 -0.49 1.81 0.74 -0.31 0.00 0.00 175.10 176.79 1gth h THR 715 N 3.42 1.18 -2.90 5.32 2.02 -1.96 -3.39 112.91 116.60 1gth h THR 715 Ca -0.32 -0.41 -0.55 0.00 0.77 0.00 0.00 66.41 65.89 1gth h THR 715 Cb 1.19 0.38 -0.40 0.00 -1.74 0.00 0.00 68.15 67.58 1gth h THR 715 CO 0.48 0.19 -0.78 -0.62 0.37 0.00 0.00 175.52 175.17 1gth s ASP 716 N -5.84 3.67 0.52 4.18 3.68 -1.26 -4.99 116.67 116.63 1gth s ASP 716 Ca -0.13 -1.50 0.29 0.00 2.13 0.00 0.00 52.55 53.35 1gth s ASP 716 Cb 0.13 -0.54 1.41 0.00 -1.45 0.00 0.00 42.92 42.47 1gth s ASP 716 CO 0.77 -0.42 2.03 -0.29 0.13 0.00 0.00 175.17 177.39 1gth h ILE 717 N 6.32 0.41 -0.46 4.11 2.10 -1.91 -2.70 117.51 125.38 1gth h ILE 717 Ca -0.16 -0.62 -0.06 0.00 1.08 0.00 0.00 64.86 65.11 1gth h ILE 717 Cb 1.01 1.44 -0.02 0.00 -1.09 0.00 0.00 36.82 38.15 1gth h ILE 717 CO 0.44 0.11 0.05 0.58 -1.08 0.00 0.00 178.15 178.25 1gth h VAL 718 N 0.00 1.22 -0.90 2.19 2.07 -1.94 -1.59 116.25 117.30 1gth h VAL 718 Ca -0.00 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 1gth h VAL 718 Cb 0.43 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1gth h VAL 718 CO 0.01 0.31 0.50 0.77 0.02 0.00 0.00 177.57 179.18 1gth h SER 719 N 0.70 1.13 1.10 0.57 4.64 -1.91 0.18 113.55 119.95 1gth h SER 719 Ca 0.15 -0.10 -0.15 0.00 -0.47 0.00 0.00 61.79 61.21 1gth h SER 719 Cb 0.36 -0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 1gth h SER 719 CO 0.01 0.90 -0.73 0.16 -0.87 0.00 0.00 176.83 176.30 1gth h ILE 720 N 1.27 1.32 -0.24 0.95 3.07 -1.61 -1.91 117.51 120.37 1gth h ILE 720 Ca 0.32 -2.68 -0.06 0.00 1.55 0.00 0.00 64.86 63.99 1gth h ILE 720 Cb 0.03 2.53 -0.01 0.00 -0.27 0.00 0.00 36.82 39.10 1gth h ILE 720 CO -0.05 0.71 -0.07 0.00 -1.05 0.00 0.00 178.15 177.69 1gth h ALA 721 N 1.27 0.33 -0.64 0.16 0.00 -0.75 -1.67 119.26 117.97 1gth h ALA 721 Ca -0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1gth h ALA 721 Cb 1.47 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 1gth h ALA 721 CO 0.09 0.14 0.22 -0.09 0.00 0.00 0.00 179.25 179.62 1gth h ARG 722 N 0.21 0.95 -0.77 0.00 2.43 -0.66 -1.59 114.38 114.96 1gth h ARG 722 Ca 0.06 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 59.02 1gth h ARG 722 Cb 0.55 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.91 1gth h ARG 722 CO 0.03 0.81 0.36 0.00 -1.51 0.00 0.00 179.97 179.65 1gth h ALA 723 N 1.31 1.17 -0.43 2.80 0.00 -1.15 0.04 119.26 123.00 1gth h ALA 723 Ca 0.21 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1gth h ALA 723 Cb 0.24 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1gth h ALA 723 CO -0.01 0.62 0.04 0.00 0.00 0.00 0.00 179.25 179.90 1gth h ALA 724 N 1.28 0.58 -0.59 0.00 0.00 -0.75 -0.75 119.26 119.03 1gth h ALA 724 Ca 0.26 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1gth h ALA 724 Cb 0.13 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1gth h ALA 724 CO -0.03 0.33 0.26 -0.22 0.00 0.00 0.00 179.25 179.58 1gth h LYS 725 N 0.59 0.87 0.00 0.00 3.64 -0.85 -0.83 116.57 119.99 1gth h LYS 725 Ca 0.13 -0.15 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 1gth h LYS 725 Cb 0.43 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1gth h LYS 725 CO 0.01 0.73 -0.28 0.93 -2.27 0.00 0.00 179.45 178.58 1gth h GLU 726 N 0.82 0.00 0.00 1.90 5.08 -0.82 -1.97 114.58 119.59 1gth h GLU 726 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1gth h GLU 726 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1gth h GLU 726 CO -0.02 0.28 0.00 0.41 -1.00 0.00 0.00 179.01 178.68 1gth n GLY 727 N -0.71 -1.45 0.00 -3.84 0.00 -0.30 -4.90 105.19 93.99 1gth n GLY 727 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1gth n GLY 727 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gth n GLY 728 N 1.30 1.02 3.76 -0.02 0.00 -0.74 -2.70 105.19 107.81 1gth n GLY 728 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1gth n GLY 728 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gth s ALA 729 N -2.00 2.64 -2.07 4.61 0.00 -0.38 -4.89 121.76 119.67 1gth s ALA 729 Ca 0.00 1.05 0.27 0.00 0.00 0.00 0.00 51.96 53.28 1gth s ALA 729 Cb 0.00 -3.46 0.97 0.00 0.00 0.00 0.00 23.12 20.63 1gth s ALA 729 CO 0.00 -1.12 1.69 -0.25 0.00 0.00 0.00 175.76 176.08 1gth n ASP 730 N -1.37 1.14 0.00 0.00 8.00 -0.44 -4.65 116.55 119.24 1gth n ASP 730 Ca 0.12 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.50 1gth n ASP 730 Cb 0.49 0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 1gth n ASP 730 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1gth n GLY 731 N 1.25 -2.23 3.05 0.44 0.00 -1.24 -4.22 105.19 102.24 1gth n GLY 731 Ca 0.16 -1.21 -0.12 0.00 0.00 0.00 0.00 46.02 44.85 1gth n GLY 731 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1gth s VAL 732 N -2.10 0.47 -0.24 1.61 -7.23 -0.62 -2.25 120.40 110.04 1gth s VAL 732 Ca 0.00 -1.07 -0.08 0.00 -1.81 0.00 0.00 61.98 59.02 1gth s VAL 732 Cb 0.00 -0.57 -0.03 0.00 0.56 0.00 0.00 36.38 36.33 1gth s VAL 732 CO 0.00 -0.41 0.09 -0.89 -0.31 0.00 0.00 175.10 173.58 1gth s THR 733 N -1.44 4.55 -0.14 5.32 2.01 -0.28 -1.08 115.64 124.59 1gth s THR 733 Ca -0.11 -0.09 -0.00 0.00 0.31 0.00 0.00 61.69 61.80 1gth s THR 733 Cb -0.10 -3.12 0.03 0.00 0.01 0.00 0.00 72.50 69.32 1gth s THR 733 CO 0.00 0.34 -0.09 0.00 -0.69 0.00 0.00 174.62 174.18 1gth s ALA 734 N 1.45 1.57 0.34 7.40 0.00 -0.15 -0.99 121.76 131.38 1gth s ALA 734 Ca 0.06 -0.75 0.04 0.00 0.00 0.00 0.00 51.96 51.31 1gth s ALA 734 Cb -0.15 -1.02 -0.02 0.00 0.00 0.00 0.00 23.12 21.93 1gth s ALA 734 CO 0.05 -0.50 0.35 0.95 0.00 0.00 0.00 175.76 176.61 1gth s THR 735 N 1.61 0.00 0.44 0.00 -4.23 -0.26 -1.04 115.64 112.15 1gth s THR 735 Ca 0.04 -1.86 -0.06 0.00 -1.18 0.00 0.00 61.69 58.63 1gth s THR 735 Cb -0.13 -2.56 0.10 0.00 1.34 0.00 0.00 72.50 71.24 1gth s THR 735 CO -0.09 0.00 0.59 -3.20 -0.54 0.00 0.00 174.62 171.38 1gth n ASN 736 N -1.57 0.21 -4.75 3.99 2.85 -0.22 -4.56 115.26 111.21 1gth n ASN 736 Ca 0.05 -1.32 -0.32 0.00 -0.11 0.00 0.00 54.58 52.89 1gth n ASN 736 Cb 0.62 -0.44 0.08 0.00 1.24 0.00 0.00 39.78 41.28 1gth n ASN 736 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1gth s THR 737 N -2.11 3.00 -0.05 -0.44 -4.23 -1.26 -4.47 115.64 106.08 1gth s THR 737 Ca 0.35 0.40 -0.19 0.00 -1.18 0.00 0.00 61.69 61.07 1gth s THR 737 Cb -0.01 -2.86 -0.05 0.00 1.34 0.00 0.00 72.50 70.92 1gth s THR 737 CO 0.24 -0.35 0.52 -0.69 -0.54 0.00 0.00 174.62 173.80 1gth s VAL 738 N -2.53 5.05 0.08 2.29 1.01 -0.70 -4.56 120.40 121.03 1gth s VAL 738 Ca 0.66 1.07 -0.31 0.00 0.00 0.00 0.00 61.98 63.40 1gth s VAL 738 Cb -0.21 -3.85 -0.07 0.00 0.00 0.00 0.00 36.38 32.25 1gth s VAL 738 CO 0.49 0.40 1.42 -0.55 0.00 0.00 0.00 175.10 176.86 1gth s SER 739 N 0.05 6.81 0.27 3.32 0.15 -1.26 0.91 113.70 123.95 1gth s SER 739 Ca 0.28 2.28 -0.17 0.00 0.70 0.00 0.00 55.95 59.04 1gth s SER 739 Cb -0.17 -2.58 0.06 0.00 -1.71 0.00 0.00 66.02 61.63 1gth s SER 739 CO 0.14 -0.70 0.85 0.61 1.20 0.00 0.00 173.24 175.34 1gth n GLY 740 N 3.59 0.85 2.87 9.45 0.00 -0.71 -4.89 105.19 116.36 1gth n GLY 740 Ca 0.12 -1.19 -0.27 0.00 0.00 0.00 0.00 46.02 44.69 1gth n GLY 740 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1gth s LEU 741 N 0.00 1.35 0.29 0.99 2.96 -1.26 -1.66 118.68 121.34 1gth s LEU 741 Ca 0.18 -0.50 0.25 0.00 -0.22 0.00 0.00 54.13 53.84 1gth s LEU 741 Cb -0.04 -0.82 0.96 0.00 0.50 0.00 0.00 46.19 46.79 1gth s LEU 741 CO 0.08 -0.17 1.76 -0.03 -1.32 0.00 0.00 176.35 176.66 1gth h MET 742 N 8.17 0.00 0.00 1.98 1.85 -1.97 -3.49 114.93 121.46 1gth h MET 742 Ca -0.25 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.84 1gth h MET 742 Cb 1.12 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.15 1gth h MET 742 CO 0.38 0.00 0.00 0.41 -0.40 0.00 0.00 176.91 177.30 1gth n GLY 743 N 0.38 2.96 3.21 1.39 0.00 -1.26 -4.61 105.19 107.26 1gth n GLY 743 Ca 0.03 -1.73 -0.16 0.00 0.00 0.00 0.00 46.02 44.17 1gth n GLY 743 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gth s LEU 744 N 0.00 2.42 0.82 0.99 1.43 -1.26 -2.97 118.68 120.11 1gth s LEU 744 Ca 0.00 -0.83 -0.12 0.00 -1.03 0.00 0.00 54.13 52.14 1gth s LEU 744 Cb 0.00 -0.41 0.09 0.00 0.03 0.00 0.00 46.19 45.90 1gth s LEU 744 CO 0.00 -0.22 1.18 -0.54 0.23 0.00 0.00 176.35 177.00 1gth s LYS 745 N -2.85 1.87 0.62 1.70 -0.14 0.40 -4.91 119.74 116.43 1gth s LYS 745 Ca 0.08 0.10 0.38 0.00 -1.36 0.00 0.00 55.97 55.17 1gth s LYS 745 Cb -0.03 -1.94 2.07 0.00 -1.68 0.00 0.00 37.83 36.24 1gth s LYS 745 CO 0.01 -1.66 2.27 0.00 -0.76 0.00 0.00 175.35 175.22 1gth h ALA 746 N -1.10 1.16 -0.07 5.17 0.00 -2.02 -1.14 119.26 121.26 1gth h ALA 746 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1gth h ALA 746 Cb 1.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1gth h ALA 746 CO 0.65 0.02 0.00 -0.40 0.00 0.00 0.00 179.25 179.52 1gth n ASP 747 N -3.33 1.16 0.00 0.00 3.85 -1.26 -4.92 116.55 112.05 1gth n ASP 747 Ca -0.02 -1.51 0.00 0.00 -0.71 0.00 0.00 54.79 52.54 1gth n ASP 747 Cb 0.12 -0.04 0.00 0.00 -1.35 0.00 0.00 41.12 39.84 1gth n ASP 747 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1gth n GLY 748 N 1.08 1.40 3.79 6.12 0.00 -0.43 -5.06 105.19 112.08 1gth n GLY 748 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1gth n GLY 748 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1gth s THR 749 N -2.31 3.93 0.81 2.61 -4.23 -1.26 -4.72 115.64 110.46 1gth s THR 749 Ca 0.00 1.47 -0.09 0.00 -1.18 0.00 0.00 61.69 61.89 1gth s THR 749 Cb 0.00 -3.75 0.13 0.00 1.34 0.00 0.00 72.50 70.22 1gth s THR 749 CO 0.00 0.00 1.13 -2.16 -0.54 0.00 0.00 174.62 173.05 1gth s PRO 750 N -2.47 1.47 -0.16 3.99 0.04 -1.26 -0.45 135.00 136.15 1gth s PRO 750 Ca 0.56 -0.52 -0.05 0.00 0.04 0.00 0.00 61.00 61.03 1gth s PRO 750 Cb -0.19 -2.08 0.08 0.00 0.04 0.00 0.00 34.50 32.34 1gth s PRO 750 CO 0.25 -1.75 0.32 -0.46 0.04 0.00 0.00 177.00 175.40 1gth s TRP 751 N -3.47 -0.56 0.63 0.56 -0.11 -1.16 -3.70 118.94 111.13 1gth s TRP 751 Ca 0.67 1.10 -0.17 0.00 1.22 0.00 0.00 56.10 58.92 1gth s TRP 751 Cb -0.07 0.06 -0.01 0.00 -1.50 0.00 0.00 33.47 31.95 1gth s TRP 751 CO 0.48 -0.43 1.20 -1.25 -4.62 0.00 0.00 176.95 172.33 1gth s PRO 752 N 2.49 2.76 -0.12 5.86 0.04 -1.26 -4.42 135.00 140.34 1gth s PRO 752 Ca 0.01 1.77 0.01 0.00 0.04 0.00 0.00 61.00 62.83 1gth s PRO 752 Cb -0.12 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.53 1gth s PRO 752 CO -0.10 -1.36 -0.13 0.00 0.04 0.00 0.00 177.00 175.44 1gth s ALA 753 N -1.76 1.65 -0.16 8.56 0.00 -1.24 -4.50 121.76 124.30 1gth s ALA 753 Ca 0.76 -0.73 -0.06 0.00 0.00 0.00 0.00 51.96 51.93 1gth s ALA 753 Cb -0.29 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 1gth s ALA 753 CO 0.37 -0.22 0.02 0.08 0.00 0.00 0.00 175.76 176.01 1gth s VAL 754 N 1.26 4.43 0.10 0.00 1.01 0.16 -4.37 120.40 122.99 1gth s VAL 754 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1gth s VAL 754 Cb -0.14 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.27 1gth s VAL 754 CO -0.05 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.14 1gth n GLY 755 N 3.40 -2.15 0.24 4.51 0.00 -1.26 -1.93 105.19 108.01 1gth n GLY 755 Ca -0.17 -1.42 0.10 0.00 0.00 0.00 0.00 46.02 44.53 1gth n GLY 755 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gth h ALA 756 N -0.40 1.31 0.00 4.61 0.00 -2.01 -1.78 119.26 120.99 1gth h ALA 756 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1gth h ALA 756 Cb 0.38 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1gth h ALA 756 CO 0.00 0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.89 1gth n GLY 757 N -0.58 -1.16 3.85 0.00 0.00 -1.26 -4.92 105.19 101.12 1gth n GLY 757 Ca -0.02 -0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 1gth n GLY 757 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gth n LYS 758 N -1.26 -3.28 -2.92 1.61 5.02 -0.67 -4.97 118.16 111.69 1gth n LYS 758 Ca 0.13 0.46 -0.24 0.00 -2.02 0.00 0.00 58.31 56.65 1gth n LYS 758 Cb 0.21 -4.59 0.01 0.00 -0.02 0.00 0.00 35.03 30.64 1gth n LYS 758 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1gth s ARG 759 N -6.33 3.09 0.33 1.97 0.52 -0.81 -4.44 118.95 113.27 1gth s ARG 759 Ca 0.08 -0.40 -0.14 0.00 -0.52 0.00 0.00 55.73 54.75 1gth s ARG 759 Cb -0.03 -2.52 0.03 0.00 0.52 0.00 0.00 34.95 32.94 1gth s ARG 759 CO 0.87 -0.30 0.67 -0.08 0.02 0.00 0.00 175.30 176.48 1gth s THR 760 N -2.60 0.00 0.13 0.02 -1.32 -1.26 0.36 115.64 110.97 1gth s THR 760 Ca 0.49 -1.17 -0.09 0.00 -1.21 0.00 0.00 61.69 59.70 1gth s THR 760 Cb -0.10 -2.51 -0.00 0.00 -1.51 0.00 0.00 72.50 68.38 1gth s THR 760 CO 0.39 0.00 0.25 0.28 -2.21 0.00 0.00 174.62 173.33 1gth s THR 761 N -3.12 0.10 0.26 5.08 -1.32 -1.26 -5.07 115.64 110.30 1gth s THR 761 Ca 0.18 -1.26 -0.31 0.00 -1.21 0.00 0.00 61.69 59.09 1gth s THR 761 Cb -0.04 -1.61 -0.13 0.00 -1.51 0.00 0.00 72.50 69.22 1gth s THR 761 CO 0.11 -0.44 1.47 -1.22 -2.21 0.00 0.00 174.62 172.34 1gth n TYR 762 N -0.16 2.40 -3.62 9.09 0.53 -1.26 -4.99 117.16 119.16 1gth n TYR 762 Ca -0.11 0.37 0.00 0.00 -1.02 0.00 0.00 57.90 57.14 1gth n TYR 762 Cb 0.63 -2.51 0.00 0.00 -1.03 0.00 0.00 39.34 36.43 1gth n TYR 762 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1gth n GLY 763 N 2.14 3.81 3.42 2.72 0.00 -0.66 -4.70 105.19 111.92 1gth n GLY 763 Ca 0.10 -2.17 -0.34 0.00 0.00 0.00 0.00 46.02 43.61 1gth n GLY 763 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gth s GLY 764 N -1.19 1.65 -0.07 -0.02 0.00 0.07 -1.73 107.32 106.03 1gth s GLY 764 Ca 0.00 -0.93 -0.18 0.00 0.00 0.00 0.00 44.72 43.61 1gth s GLY 764 CO 0.00 0.05 0.50 0.14 0.00 0.00 0.00 173.10 173.78 1gth s VAL 765 N 0.68 5.09 0.32 1.40 1.01 0.26 -1.34 120.40 127.83 1gth s VAL 765 Ca -0.03 1.01 0.03 0.00 0.00 0.00 0.00 61.98 62.99 1gth s VAL 765 Cb -0.15 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 1gth s VAL 765 CO 0.02 0.39 0.10 -0.94 0.00 0.00 0.00 175.10 174.67 1gth s SER 766 N 0.16 2.02 0.00 3.32 1.04 0.00 -1.72 113.70 118.52 1gth s SER 766 Ca 0.27 -1.47 0.00 0.00 0.48 0.00 0.00 55.95 55.23 1gth s SER 766 Cb -0.16 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.14 1gth s SER 766 CO 0.12 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.20 1gth n GLY 767 N -0.66 -2.31 0.29 7.32 0.00 -1.26 -1.80 105.19 106.77 1gth n GLY 767 Ca -0.02 -2.14 0.15 0.00 0.00 0.00 0.00 46.02 44.01 1gth n GLY 767 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1gth h THR 768 N 0.00 0.48 0.00 2.61 1.35 -1.72 -2.15 112.91 113.47 1gth h THR 768 Ca 0.00 -0.14 -0.02 0.00 -0.55 0.00 0.00 66.41 65.70 1gth h THR 768 Cb 0.00 1.09 -0.00 0.00 -1.73 0.00 0.00 68.15 67.51 1gth h THR 768 CO 0.00 0.03 -0.10 0.00 -0.25 0.00 0.00 175.52 175.20 1gth h ALA 769 N 1.97 1.32 -0.13 6.62 0.00 -1.14 -2.51 119.26 125.40 1gth h ALA 769 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1gth h ALA 769 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1gth h ALA 769 CO 0.00 0.13 0.00 0.44 0.00 0.00 0.00 179.25 179.82 1gth n ILE 770 N -3.68 0.16 -0.31 0.00 -5.35 -0.82 -4.54 119.36 104.82 1gth n ILE 770 Ca -0.02 -0.58 0.04 0.00 -0.27 0.00 0.00 62.75 61.92 1gth n ILE 770 Cb 0.22 1.30 0.19 0.00 -1.74 0.00 0.00 39.64 39.61 1gth n ILE 770 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 1gth h ARG 771 N 4.22 0.83 -0.36 6.28 2.43 -1.47 -1.04 114.38 125.28 1gth h ARG 771 Ca 0.00 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1gth h ARG 771 Cb 0.91 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 1gth h ARG 771 CO 0.00 0.55 0.24 -1.35 -1.51 0.00 0.00 179.97 177.90 1gth h PRO 772 N 0.86 0.38 -0.08 0.20 0.11 -1.80 0.35 132.00 132.02 1gth h PRO 772 Ca 0.43 -0.02 -0.24 0.00 0.11 0.00 0.00 66.00 66.27 1gth h PRO 772 Cb 0.39 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 31.43 1gth h PRO 772 CO -0.25 0.25 -0.91 0.82 -0.21 0.00 0.00 178.00 177.70 1gth h ILE 773 N 0.39 1.28 -0.28 4.15 2.04 -1.55 -2.50 117.51 121.03 1gth h ILE 773 Ca 0.14 -2.11 -0.15 0.00 1.00 0.00 0.00 64.86 63.74 1gth h ILE 773 Cb 0.09 2.17 -0.00 0.00 -0.74 0.00 0.00 36.82 38.34 1gth h ILE 773 CO -0.03 0.66 -0.43 0.00 0.00 0.00 0.00 178.15 178.35 1gth h ALA 774 N 0.50 0.43 -0.69 1.87 0.00 -0.40 -2.05 119.26 118.91 1gth h ALA 774 Ca -0.09 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 1gth h ALA 774 Cb 1.54 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 1gth h ALA 774 CO 0.18 0.55 0.35 -0.07 0.00 0.00 0.00 179.25 180.27 1gth h LEU 775 N 0.54 0.89 -0.52 0.00 3.38 -0.40 0.34 115.31 119.54 1gth h LEU 775 Ca 0.02 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1gth h LEU 775 Cb 1.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 1gth h LEU 775 CO 0.10 0.76 0.26 -0.09 0.09 0.00 0.00 178.44 179.56 1gth h ARG 776 N 0.96 0.75 -0.18 1.13 2.43 -1.40 -1.13 114.38 116.94 1gth h ARG 776 Ca 0.24 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1gth h ARG 776 Cb 0.09 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1gth h ARG 776 CO -0.03 0.61 0.10 0.00 -1.51 0.00 0.00 179.97 179.14 1gth h ALA 777 N 1.10 0.23 -0.09 2.80 0.00 -0.88 -0.70 119.26 121.73 1gth h ALA 777 Ca 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1gth h ALA 777 Cb 0.10 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1gth h ALA 777 CO -0.02 -0.25 0.06 0.28 0.00 0.00 0.00 179.25 179.31 1gth h VAL 778 N 0.19 1.03 -0.56 0.00 2.07 -0.79 -2.08 116.25 116.12 1gth h VAL 778 Ca 0.06 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1gth h VAL 778 Cb 0.05 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1gth h VAL 778 CO -0.01 0.03 0.25 0.71 0.02 0.00 0.00 177.57 178.57 1gth h THR 779 N 0.11 1.21 -0.75 2.57 1.35 -1.08 -0.25 112.91 116.07 1gth h THR 779 Ca 0.03 -0.62 -0.06 0.00 -0.55 0.00 0.00 66.41 65.21 1gth h THR 779 Cb -0.00 0.58 -0.03 0.00 -1.73 0.00 0.00 68.15 66.97 1gth h THR 779 CO -0.01 0.24 0.24 0.71 -0.25 0.00 0.00 175.52 176.46 1gth h THR 780 N 0.76 1.26 -0.30 6.82 1.35 -1.04 -0.74 112.91 121.02 1gth h THR 780 Ca 0.19 -0.91 -0.06 0.00 -0.55 0.00 0.00 66.41 65.08 1gth h THR 780 Cb 0.15 0.43 -0.01 0.00 -1.73 0.00 0.00 68.15 66.99 1gth h THR 780 CO -0.02 0.36 -0.06 0.40 -0.25 0.00 0.00 175.52 175.95 1gth h ILE 781 N 1.11 1.28 -0.76 6.82 2.04 -1.22 -1.48 117.51 125.30 1gth h ILE 781 Ca 0.24 -1.07 0.01 0.00 1.00 0.00 0.00 64.86 65.04 1gth h ILE 781 Cb 0.30 1.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 1gth h ILE 781 CO -0.01 0.34 0.51 0.00 0.00 0.00 0.00 178.15 178.99 1gth h ALA 782 N 0.80 1.46 -0.01 1.87 0.00 -0.74 0.10 119.26 122.73 1gth h ALA 782 Ca 0.08 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.70 1gth h ALA 782 Cb 0.53 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1gth h ALA 782 CO 0.03 0.50 -0.95 0.00 0.00 0.00 0.00 179.25 178.83 1gth h ARG 783 N 1.03 0.52 0.02 0.00 3.08 -1.05 -3.06 114.38 114.93 1gth h ARG 783 Ca 0.28 -0.54 -0.24 0.00 0.07 0.00 0.00 59.98 59.55 1gth h ARG 783 Cb -0.12 0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.09 1gth h ARG 783 CO -0.06 1.18 -0.99 0.00 -1.07 0.00 0.00 179.97 179.02 1gth h ALA 784 N 0.64 0.30 -2.14 0.04 0.00 -0.94 -3.38 119.26 113.78 1gth h ALA 784 Ca -0.09 -0.73 -0.59 0.00 0.00 0.00 0.00 54.91 53.50 1gth h ALA 784 Cb 1.59 -0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.96 1gth h ALA 784 CO 0.17 0.81 -0.73 1.28 0.00 0.00 0.00 179.25 180.78 1gth n LEU 785 N -3.74 2.85 -4.65 0.00 4.77 0.33 -5.09 117.00 111.46 1gth n LEU 785 Ca -0.08 -5.26 -0.46 0.00 -0.03 0.00 0.00 56.01 50.19 1gth n LEU 785 Cb 0.86 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 41.60 1gth n LEU 785 CO 0.52 2.07 0.96 -0.81 -1.33 0.00 0.00 177.39 178.81 1gth n PRO 786 N 0.95 1.86 0.00 3.23 -0.04 -1.15 -1.87 135.00 137.98 1gth n PRO 786 Ca 0.28 0.66 0.00 0.00 -0.04 0.00 0.00 63.50 64.40 1gth n PRO 786 Cb 0.44 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 1gth n PRO 786 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1gth n GLY 787 N 2.20 2.80 3.66 0.55 0.00 -1.26 -5.01 105.19 108.13 1gth n GLY 787 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1gth n GLY 787 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1gth s PHE 788 N -1.99 2.54 0.11 1.61 5.36 -0.78 -4.95 117.98 119.89 1gth s PHE 788 Ca 0.00 0.74 -0.36 0.00 -0.96 0.00 0.00 56.93 56.35 1gth s PHE 788 Cb 0.00 -3.68 -0.16 0.00 -0.34 0.00 0.00 43.02 38.84 1gth s PHE 788 CO 0.00 -2.39 1.39 -2.30 -1.46 0.00 0.00 175.22 170.47 1gth n PRO 789 N 6.88 1.43 -4.44 10.12 -0.02 -1.26 -4.90 135.00 142.82 1gth n PRO 789 Ca 0.15 0.52 -0.25 0.00 -2.02 0.00 0.00 63.50 61.90 1gth n PRO 789 Cb 0.44 -2.18 -0.17 0.00 -0.02 0.00 0.00 33.50 31.57 1gth n PRO 789 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1gth s ILE 790 N 0.54 1.09 -0.32 4.25 1.01 -1.26 -1.59 121.20 124.93 1gth s ILE 790 Ca 0.82 -0.43 -0.10 0.00 0.00 0.00 0.00 60.65 60.94 1gth s ILE 790 Cb -0.87 -1.02 -0.00 0.00 0.01 0.00 0.00 42.46 40.57 1gth s ILE 790 CO 0.45 0.35 0.16 -0.76 0.00 0.00 0.00 174.94 175.14 1gth s LEU 791 N 0.87 4.17 0.31 2.97 1.02 -0.24 -1.26 118.68 126.53 1gth s LEU 791 Ca -0.11 -0.56 -0.14 0.00 0.02 0.00 0.00 54.13 53.34 1gth s LEU 791 Cb -0.15 -2.01 -0.09 0.00 0.02 0.00 0.00 46.19 43.96 1gth s LEU 791 CO 0.01 -0.21 0.71 0.00 0.02 0.00 0.00 176.35 176.88 1gth s ALA 792 N 1.61 3.35 -0.28 4.21 0.00 -0.60 -0.97 121.76 129.08 1gth s ALA 792 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 51.96 51.85 1gth s ALA 792 Cb -0.17 -2.73 0.08 0.00 0.00 0.00 0.00 23.12 20.30 1gth s ALA 792 CO 0.06 0.35 0.68 -0.08 0.00 0.00 0.00 175.76 176.78 1gth s THR 793 N -1.96 -0.00 0.00 0.00 -1.32 -0.21 0.17 115.64 112.32 1gth s THR 793 Ca 0.53 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.02 1gth s THR 793 Cb -0.10 -0.99 0.00 0.00 -1.51 0.00 0.00 72.50 69.90 1gth s THR 793 CO 0.18 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.20 1gth n GLY 794 N 4.28 0.64 1.49 6.08 0.00 -1.26 -1.10 105.19 115.32 1gth n GLY 794 Ca -0.20 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1gth n GLY 794 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gth n GLY 795 N 0.00 0.58 3.64 -0.02 0.00 -1.19 -3.90 105.19 104.30 1gth n GLY 795 Ca 0.00 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 1gth n GLY 795 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gth s ILE 796 N -2.00 4.58 -0.01 -0.61 1.01 -1.26 -4.58 121.20 118.33 1gth s ILE 796 Ca 0.00 1.74 0.04 0.00 0.00 0.00 0.00 60.65 62.43 1gth s ILE 796 Cb 0.00 -4.36 0.07 0.00 0.01 0.00 0.00 42.46 38.18 1gth s ILE 796 CO 0.00 -0.38 1.03 -0.90 0.00 0.00 0.00 174.94 174.69 1gth n ASP 797 N 6.66 0.26 -3.62 3.58 5.75 -1.26 -4.49 116.55 123.44 1gth n ASP 797 Ca 0.11 -2.08 -0.01 0.00 -0.01 0.00 0.00 54.79 52.80 1gth n ASP 797 Cb 0.47 -0.23 -0.01 0.00 -1.03 0.00 0.00 41.12 40.32 1gth n ASP 797 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1gth s SER 798 N -1.24 -0.10 0.17 -1.12 1.04 -1.26 -4.94 113.70 106.24 1gth s SER 798 Ca 0.06 -0.11 -0.12 0.00 0.48 0.00 0.00 55.95 56.26 1gth s SER 798 Cb 0.07 0.19 0.06 0.00 0.10 0.00 0.00 66.02 66.44 1gth s SER 798 CO -0.02 -0.34 1.71 0.00 0.98 0.00 0.00 173.24 175.57 1gth h ALA 799 N 2.00 0.74 0.12 5.32 0.00 -1.84 0.08 119.26 125.67 1gth h ALA 799 Ca -0.23 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.52 1gth h ALA 799 Cb 1.20 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1gth h ALA 799 CO 0.27 0.37 -0.20 1.49 0.00 0.00 0.00 179.25 181.17 1gth h GLU 800 N 0.78 -0.38 -0.14 0.00 4.22 -1.89 0.33 114.58 117.51 1gth h GLU 800 Ca 0.19 0.03 -0.10 0.00 0.08 0.00 0.00 59.36 59.56 1gth h GLU 800 Cb 0.23 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1gth h GLU 800 CO -0.01 -0.25 -0.34 0.66 -2.18 0.00 0.00 179.01 176.89 1gth h SER 801 N -0.39 0.29 -0.60 1.04 4.64 -1.90 -2.48 113.55 114.14 1gth h SER 801 Ca 0.02 -0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.21 1gth h SER 801 Cb 0.41 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.39 1gth h SER 801 CO -0.10 0.62 0.29 1.23 -0.87 0.00 0.00 176.83 177.99 1gth h GLY 802 N 1.11 0.93 1.61 -0.77 0.00 -0.36 -2.17 103.07 103.42 1gth h GLY 802 Ca 0.03 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1gth h GLY 802 CO 0.05 0.44 0.26 -2.00 0.00 0.00 0.00 176.54 175.30 1gth h LEU 803 N 0.82 0.46 -0.92 3.11 5.85 0.08 -1.33 115.31 123.38 1gth h LEU 803 Ca 0.21 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 1gth h LEU 803 Cb 0.12 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1gth h LEU 803 CO -0.03 0.33 0.57 1.56 -0.34 0.00 0.00 178.44 180.54 1gth h GLN 804 N 0.54 1.23 -0.07 1.25 4.20 -1.01 0.81 115.11 122.06 1gth h GLN 804 Ca 0.15 -0.10 -0.16 0.00 0.06 0.00 0.00 58.65 58.60 1gth h GLN 804 Cb -0.06 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.44 1gth h GLN 804 CO -0.03 0.85 -0.65 0.74 -0.67 0.00 0.00 178.83 179.07 1gth h PHE 805 N 1.25 0.37 -0.10 2.96 -1.00 -1.07 -1.35 116.94 118.01 1gth h PHE 805 Ca 0.33 -0.15 -0.01 0.00 2.81 0.00 0.00 57.97 60.95 1gth h PHE 805 Cb -0.08 -0.06 -0.00 0.00 3.61 0.00 0.00 35.95 39.41 1gth h PHE 805 CO -0.00 0.85 0.02 -0.07 -1.61 0.00 0.00 178.31 177.50 1gth h LEU 806 N 0.20 0.15 -2.05 1.54 3.38 -0.84 -1.21 115.31 116.48 1gth h LEU 806 Ca -0.01 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.73 1gth h LEU 806 Cb 1.18 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1gth h LEU 806 CO 0.10 0.36 0.06 0.45 0.09 0.00 0.00 178.44 179.50 1gth h HIS 807 N -0.06 0.00 0.00 1.13 3.86 -0.77 -0.29 115.15 119.01 1gth h HIS 807 Ca 0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1gth h HIS 807 Cb 0.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.74 1gth h HIS 807 CO 0.01 0.00 0.00 0.43 0.86 0.00 0.00 177.93 179.23 1gth n SER 808 N -4.43 0.00 0.00 2.45 7.64 -0.52 -1.55 113.62 117.21 1gth n SER 808 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1gth n SER 808 Cb 0.17 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 1gth n SER 808 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gth n GLY 809 N 1.26 1.38 3.85 0.23 0.00 -0.28 -3.95 105.19 107.68 1gth n GLY 809 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1gth n GLY 809 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gth s ALA 810 N -1.95 3.08 -0.19 4.61 0.00 -0.52 -4.50 121.76 122.30 1gth s ALA 810 Ca 0.00 0.12 0.04 0.00 0.00 0.00 0.00 51.96 52.12 1gth s ALA 810 Cb 0.00 -3.09 -0.14 0.00 0.00 0.00 0.00 23.12 19.89 1gth s ALA 810 CO 0.00 -0.30 -0.13 0.43 0.00 0.00 0.00 175.76 175.76 1gth n SER 811 N -1.76 2.25 -4.33 0.00 7.64 -0.39 -4.31 113.62 112.72 1gth n SER 811 Ca 0.06 -0.08 -0.18 0.00 1.01 0.00 0.00 58.87 59.68 1gth n SER 811 Cb 0.54 -0.07 -0.10 0.00 -1.01 0.00 0.00 64.21 63.57 1gth n SER 811 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1gth s VAL 812 N -2.38 1.57 -0.14 0.44 -7.23 -1.24 -4.85 120.40 106.57 1gth s VAL 812 Ca -0.22 -2.16 0.00 0.00 -1.81 0.00 0.00 61.98 57.78 1gth s VAL 812 Cb 0.06 -2.05 0.02 0.00 0.56 0.00 0.00 36.38 34.97 1gth s VAL 812 CO 0.48 -0.59 -0.12 -0.76 -0.31 0.00 0.00 175.10 173.80 1gth s LEU 813 N -3.30 1.55 0.03 1.32 1.43 0.20 -1.56 118.68 118.37 1gth s LEU 813 Ca 0.22 -0.44 -0.12 0.00 -1.03 0.00 0.00 54.13 52.76 1gth s LEU 813 Cb 0.01 -1.08 -0.06 0.00 0.03 0.00 0.00 46.19 45.09 1gth s LEU 813 CO 0.06 -0.08 0.39 -1.10 0.23 0.00 0.00 176.35 175.85 1gth s GLN 814 N 1.55 3.80 -0.01 1.70 -0.21 0.13 -0.67 119.66 125.94 1gth s GLN 814 Ca 0.05 0.25 0.03 0.00 0.02 0.00 0.00 55.36 55.71 1gth s GLN 814 Cb -0.13 -3.10 -0.01 0.00 1.00 0.00 0.00 33.01 30.78 1gth s GLN 814 CO -0.10 0.63 -0.09 0.08 -2.12 0.00 0.00 175.29 173.68 1gth s VAL 815 N -1.25 0.76 0.00 1.09 1.01 0.64 -4.45 120.40 118.21 1gth s VAL 815 Ca 0.28 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1gth s VAL 815 Cb -0.15 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.58 1gth s VAL 815 CO 0.15 0.22 0.00 0.00 0.00 0.00 0.00 175.10 175.47 1gth h SER 817 N 0.00 0.58 -0.17 0.00 0.02 -1.96 0.29 113.55 112.30 1gth h SER 817 Ca 0.00 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1gth h SER 817 Cb 0.00 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1gth h SER 817 CO 0.00 0.23 0.04 0.00 -1.14 0.00 0.00 176.83 175.96 1gth h ALA 818 N 1.62 1.61 0.10 3.77 0.00 -1.92 0.08 119.26 124.51 1gth h ALA 818 Ca 0.51 -0.12 -0.28 0.00 0.00 0.00 0.00 54.91 55.01 1gth h ALA 818 Cb 1.01 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.71 1gth h ALA 818 CO -0.25 0.30 -1.19 0.28 0.00 0.00 0.00 179.25 178.38 1gth h VAL 819 N 0.36 1.33 0.00 0.00 2.07 -1.27 -2.69 116.25 116.05 1gth h VAL 819 Ca 0.09 -2.52 -0.02 0.00 0.82 0.00 0.00 66.70 65.06 1gth h VAL 819 Cb 0.18 2.67 -0.00 0.00 -1.52 0.00 0.00 31.29 32.61 1gth h VAL 819 CO -0.00 0.76 -0.11 1.56 0.02 0.00 0.00 177.57 179.80 1gth h GLN 820 N 0.25 0.00 0.00 1.57 4.20 -0.76 0.73 115.11 121.10 1gth h GLN 820 Ca -0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.55 1gth h GLN 820 Cb 1.86 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.64 1gth h GLN 820 CO 0.22 0.11 -0.07 -0.91 -0.67 0.00 0.00 178.83 177.51 1gth h ASN 821 N 0.00 0.00 0.00 1.46 2.35 -0.95 -3.47 115.58 114.98 1gth h ASN 821 Ca -0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1gth h ASN 821 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1gth h ASN 821 CO 0.01 0.01 0.00 1.67 -1.65 0.00 0.00 177.43 177.47 1gth n GLN 822 N -2.37 0.00 -3.90 0.81 -0.06 0.23 -4.66 117.38 107.43 1gth n GLN 822 Ca 0.05 0.00 -0.03 0.00 -2.00 0.00 0.00 57.00 55.02 1gth n GLN 822 Cb 0.45 0.00 0.02 0.00 -4.06 0.00 0.00 30.24 26.65 1gth n GLN 822 CO 0.00 0.00 0.00 0.16 -0.20 0.00 0.00 177.06 177.02 1gth s ASP 823 N 1.12 0.02 0.57 1.69 1.47 -1.09 -4.96 116.67 115.50 1gth s ASP 823 Ca 0.00 -0.73 0.33 0.00 1.18 0.00 0.00 52.55 53.32 1gth s ASP 823 Cb 0.00 0.53 1.73 0.00 -0.34 0.00 0.00 42.92 44.84 1gth s ASP 823 CO 0.00 -1.05 2.16 -0.26 0.68 0.00 0.00 175.17 176.70 1gth h PHE 824 N 2.00 0.00 0.00 2.11 0.05 -1.97 -3.08 116.94 116.05 1gth h PHE 824 Ca -0.28 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.51 1gth h PHE 824 Cb 1.22 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.17 1gth h PHE 824 CO 1.47 0.06 0.00 0.25 -0.18 0.00 0.00 178.31 179.90 1gth n THR 825 N -3.45 1.10 0.33 -1.55 -2.24 -1.26 -2.49 114.28 104.71 1gth n THR 825 Ca -0.02 0.50 0.20 0.00 -2.27 0.00 0.00 64.05 62.47 1gth n THR 825 Cb 0.19 -1.46 1.09 0.00 -2.10 0.00 0.00 70.33 68.05 1gth n THR 825 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1gth h VAL 826 N 0.00 0.03 -0.71 2.28 -1.51 -1.96 -0.90 116.25 113.48 1gth h VAL 826 Ca 0.00 0.00 0.06 0.00 -1.23 0.00 0.00 66.70 65.53 1gth h VAL 826 Cb 0.14 0.90 -0.04 0.00 -2.13 0.00 0.00 31.29 30.15 1gth h VAL 826 CO 0.00 0.00 0.47 -0.29 -1.23 0.00 0.00 177.57 176.52 1gth h ILE 827 N 0.00 1.03 -0.74 7.19 6.09 -1.78 0.19 117.51 129.50 1gth h ILE 827 Ca 0.00 -0.26 -0.01 0.00 -1.37 0.00 0.00 64.86 63.22 1gth h ILE 827 Cb 0.21 0.21 -0.04 0.00 0.47 0.00 0.00 36.82 37.68 1gth h ILE 827 CO -0.00 0.14 0.41 -0.61 -3.07 0.00 0.00 178.15 175.02 1gth h GLN 828 N 0.76 1.02 -0.34 2.19 -0.00 -1.42 -0.56 115.11 116.76 1gth h GLN 828 Ca 0.30 -0.11 -0.07 0.00 -0.00 0.00 0.00 58.65 58.77 1gth h GLN 828 Cb 0.22 -0.20 -0.01 0.00 0.00 0.00 0.00 27.48 27.49 1gth h GLN 828 CO -0.10 0.75 -0.05 0.22 0.00 0.00 0.00 178.83 179.66 1gth h ASP 829 N 1.02 0.63 -0.71 -0.69 3.58 -1.22 -2.22 116.42 116.80 1gth h ASP 829 Ca 0.26 -0.34 -0.05 0.00 0.42 0.00 0.00 57.03 57.32 1gth h ASP 829 Cb 0.02 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 40.87 1gth h ASP 829 CO -0.04 0.82 0.24 1.88 -2.88 0.00 0.00 179.24 179.26 1gth h TYR 830 N 0.42 1.13 -0.10 0.28 0.99 -0.72 -0.60 116.97 118.37 1gth h TYR 830 Ca 0.09 -0.10 -0.05 0.00 2.00 0.00 0.00 58.73 60.67 1gth h TYR 830 Cb 0.53 -0.33 -0.00 0.00 1.00 0.00 0.00 36.73 37.93 1gth h TYR 830 CO 0.04 0.89 -0.14 0.00 -0.00 0.00 0.00 178.16 178.96 1gth h THR 832 N -0.17 1.23 -0.30 0.00 1.35 -1.41 -1.69 112.91 111.91 1gth h THR 832 Ca 0.01 -1.05 -0.08 0.00 -0.55 0.00 0.00 66.41 64.74 1gth h THR 832 Cb 0.69 1.30 -0.01 0.00 -1.73 0.00 0.00 68.15 68.40 1gth h THR 832 CO 0.03 0.33 -0.14 1.23 -0.25 0.00 0.00 175.52 176.72 1gth h GLY 833 N 0.92 0.69 1.19 5.82 0.00 -1.04 -1.67 103.07 108.98 1gth h GLY 833 Ca 0.05 -0.61 -0.13 0.00 0.00 0.00 0.00 47.33 46.64 1gth h GLY 833 CO 0.03 0.56 -0.23 -2.00 0.00 0.00 0.00 176.54 174.91 1gth h LEU 834 N 0.39 0.95 -0.58 3.11 5.85 -0.99 -1.67 115.31 122.37 1gth h LEU 834 Ca 0.07 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.43 1gth h LEU 834 Cb 0.66 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1gth h LEU 834 CO 0.04 1.13 0.36 0.11 -0.34 0.00 0.00 178.44 179.74 1gth h LYS 835 N 0.80 0.78 -0.47 1.25 1.57 -1.25 -1.93 116.57 117.32 1gth h LYS 835 Ca 0.10 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1gth h LYS 835 Cb 0.78 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 1gth h LYS 835 CO 0.07 0.55 0.15 0.00 -0.57 0.00 0.00 179.45 179.64 1gth h ALA 836 N 1.19 0.61 -0.98 3.86 0.00 -1.12 -0.60 119.26 122.23 1gth h ALA 836 Ca 0.21 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1gth h ALA 836 Cb -0.04 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 1gth h ALA 836 CO -0.04 0.26 0.62 -0.07 0.00 0.00 0.00 179.25 180.01 1gth h LEU 837 N 0.62 1.15 -0.26 0.00 3.38 -1.06 -0.10 115.31 119.04 1gth h LEU 837 Ca 0.15 -0.05 -0.21 0.00 0.09 0.00 0.00 57.88 57.86 1gth h LEU 837 Cb 0.26 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1gth h LEU 837 CO -0.01 0.86 -0.77 -0.07 0.09 0.00 0.00 178.44 178.54 1gth h LEU 838 N 1.34 0.72 -0.08 1.67 3.38 -1.17 -3.16 115.31 118.01 1gth h LEU 838 Ca 0.35 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1gth h LEU 838 Cb -0.10 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.43 1gth h LEU 838 CO -0.07 1.26 0.04 0.22 0.09 0.00 0.00 178.44 179.98 1gth h TYR 839 N 0.41 0.12 -0.01 1.13 3.20 -0.72 -2.72 116.97 118.38 1gth h TYR 839 Ca -0.05 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.82 1gth h TYR 839 Cb 1.38 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 39.61 1gth h TYR 839 CO 0.07 0.19 0.02 -0.07 -1.64 0.00 0.00 178.16 176.73 1gth h LEU 840 N 0.02 0.00 -0.37 2.82 3.38 -1.07 -1.21 115.31 118.87 1gth h LEU 840 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1gth h LEU 840 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1gth h LEU 840 CO -0.00 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.82 1gth n LYS 841 N -3.47 0.09 0.00 1.13 5.02 -1.03 -2.11 118.16 117.79 1gth n LYS 841 Ca -0.03 0.36 0.10 0.00 -2.02 0.00 0.00 58.31 56.73 1gth n LYS 841 Cb 0.10 -1.68 0.01 0.00 -0.02 0.00 0.00 35.03 33.44 1gth n LYS 841 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1gth n SER 842 N -1.85 2.08 -4.45 4.39 3.41 -0.46 -4.86 113.62 111.88 1gth n SER 842 Ca 0.02 -1.54 -0.44 0.00 -0.26 0.00 0.00 58.87 56.66 1gth n SER 842 Cb 0.18 0.41 -0.06 0.00 -0.26 0.00 0.00 64.21 64.47 1gth n SER 842 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1gth s ILE 843 N -2.28 4.89 0.30 -1.33 -1.09 -0.90 -1.76 121.20 119.04 1gth s ILE 843 Ca 0.19 -0.44 -0.02 0.00 -2.23 0.00 0.00 60.65 58.15 1gth s ILE 843 Cb 0.17 -4.27 0.27 0.00 -1.58 0.00 0.00 42.46 37.05 1gth s ILE 843 CO 0.50 -0.76 1.96 -0.08 -1.23 0.00 0.00 174.94 175.33 1gth h GLU 844 N 8.96 1.08 0.00 2.79 4.81 -1.86 -2.69 114.58 127.67 1gth h GLU 844 Ca -0.27 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1gth h GLU 844 Cb 1.10 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.23 1gth h GLU 844 CO 0.94 0.71 0.00 -0.85 -0.73 0.00 0.00 179.01 179.09 1gth n GLU 845 N -4.43 0.60 -0.50 1.92 0.00 -1.26 -3.20 120.64 113.77 1gth n GLU 845 Ca 0.10 0.03 0.05 0.00 0.00 0.00 0.00 57.16 57.34 1gth n GLU 845 Cb 0.06 -1.50 0.19 0.00 0.00 0.00 0.00 31.44 30.20 1gth n GLU 845 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1gth n LEU 846 N -1.12 3.01 0.19 -1.84 4.77 -1.01 -4.71 117.00 116.29 1gth n LEU 846 Ca 0.16 -3.60 0.14 0.00 -0.03 0.00 0.00 56.01 52.67 1gth n LEU 846 Cb 0.13 -0.53 0.52 0.00 -2.33 0.00 0.00 43.42 41.20 1gth n LEU 846 CO 0.16 1.14 0.90 1.56 -1.33 0.00 0.00 177.39 179.82 1gth h GLN 847 N 0.81 0.00 -0.00 3.23 4.20 -1.65 -2.61 115.11 119.08 1gth h GLN 847 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1gth h GLN 847 Cb 1.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.95 1gth h GLN 847 CO 0.10 0.00 -0.02 0.41 -0.67 0.00 0.00 178.83 178.65 1gth n GLY 848 N 0.31 -1.33 3.84 3.46 0.00 -1.26 -4.83 105.19 105.38 1gth n GLY 848 Ca 0.02 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 1gth n GLY 848 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1gth s TRP 849 N -2.70 3.38 -0.57 1.61 0.52 -0.99 -4.18 118.94 116.02 1gth s TRP 849 Ca 0.24 1.36 -0.10 0.00 0.02 0.00 0.00 56.10 57.62 1gth s TRP 849 Cb 0.20 -2.67 0.15 0.00 -1.15 0.00 0.00 33.47 29.99 1gth s TRP 849 CO 0.49 -0.09 0.45 0.34 0.02 0.00 0.00 176.95 178.16 1gth s ASP 850 N -2.53 5.88 1.64 2.95 2.15 -0.13 -4.94 116.67 121.69 1gth s ASP 850 Ca 0.57 -2.18 0.00 0.00 0.43 0.00 0.00 52.55 51.37 1gth s ASP 850 Cb -0.10 -2.05 0.00 0.00 -0.30 0.00 0.00 42.92 40.48 1gth s ASP 850 CO 0.21 -0.64 0.00 0.61 -0.17 0.00 0.00 175.17 175.17 1gth n GLY 851 N 4.56 2.78 0.52 2.66 0.00 -1.26 -1.49 105.19 112.95 1gth n GLY 851 Ca -0.02 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 45.86 1gth n GLY 851 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1gth n GLN 852 N 13.29 1.68 -3.36 1.61 6.02 -1.26 -4.84 117.38 130.51 1gth n GLN 852 Ca 0.00 -1.02 -0.40 0.00 -0.01 0.00 0.00 57.00 55.57 1gth n GLN 852 Cb 0.00 -1.39 -0.09 0.00 1.02 0.00 0.00 30.24 29.78 1gth n GLN 852 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1gth s SER 853 N -1.59 6.27 0.83 1.08 0.01 -0.56 -4.87 113.70 114.86 1gth s SER 853 Ca 0.32 0.24 -0.11 0.00 1.31 0.00 0.00 55.95 57.71 1gth s SER 853 Cb 0.17 -2.22 0.09 0.00 0.21 0.00 0.00 66.02 64.27 1gth s SER 853 CO 0.26 -0.24 1.12 -2.84 0.41 0.00 0.00 173.24 171.96 1gth s PRO 854 N 2.12 1.75 0.26 12.44 0.02 -1.26 -0.96 135.00 149.37 1gth s PRO 854 Ca 0.16 1.35 -0.30 0.00 0.02 0.00 0.00 61.00 62.22 1gth s PRO 854 Cb -0.16 -1.83 -0.11 0.00 0.02 0.00 0.00 34.50 32.43 1gth s PRO 854 CO 0.10 -2.05 1.50 0.20 -0.33 0.00 0.00 177.00 176.42 1gth s GLY 855 N -3.04 2.22 0.06 0.52 0.00 -1.26 -4.74 107.32 101.08 1gth s GLY 855 Ca 0.64 1.43 -0.31 0.00 0.00 0.00 0.00 44.72 46.48 1gth s GLY 855 CO 0.56 2.40 1.55 -1.59 0.00 0.00 0.00 173.10 176.02 1gth s THR 856 N 0.02 3.22 0.04 0.90 2.01 -1.26 -5.01 115.64 115.55 1gth s THR 856 Ca 0.61 0.69 -0.03 0.00 0.31 0.00 0.00 61.69 63.28 1gth s THR 856 Cb -0.44 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 1gth s THR 856 CO 0.45 0.01 0.24 -1.61 -0.69 0.00 0.00 174.62 173.01 1gth s GLU 857 N 2.32 3.49 0.05 4.92 0.41 -1.26 -5.03 118.70 123.60 1gth s GLU 857 Ca 0.70 -0.30 -0.35 0.00 -0.41 0.00 0.00 54.97 54.62 1gth s GLU 857 Cb -0.37 -3.03 -0.14 0.00 -1.78 0.00 0.00 34.13 28.80 1gth s GLU 857 CO 0.30 0.61 1.63 0.43 -0.49 0.00 0.00 175.26 177.75 1gth n SER 858 N 0.58 2.92 -3.54 -0.19 7.64 -1.26 -4.93 113.62 114.84 1gth n SER 858 Ca -0.07 1.06 -0.11 0.00 1.01 0.00 0.00 58.87 60.75 1gth n SER 858 Cb 0.52 -1.36 -0.04 0.00 -1.01 0.00 0.00 64.21 62.33 1gth n SER 858 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 1gth s HIS 859 N 1.85 0.60 -0.10 1.43 -3.43 -1.26 -1.31 115.29 113.07 1gth s HIS 859 Ca 0.85 -0.96 -0.04 0.00 -0.80 0.00 0.00 55.06 54.11 1gth s HIS 859 Cb -0.75 0.18 0.05 0.00 -1.43 0.00 0.00 32.58 30.63 1gth s HIS 859 CO 0.45 -1.14 0.19 -0.65 -2.00 0.00 0.00 174.74 171.59 1gth s GLN 860 N -3.38 0.08 -1.73 -0.38 -1.52 -0.85 -4.29 119.66 107.59 1gth s GLN 860 Ca 0.25 0.60 0.00 0.00 -1.95 0.00 0.00 55.36 54.25 1gth s GLN 860 Cb -0.01 -0.19 0.00 0.00 -0.22 0.00 0.00 33.01 32.59 1gth s GLN 860 CO 0.14 -0.28 0.00 1.63 -0.25 0.00 0.00 175.29 176.53 1gth n LYS 861 N 5.17 -1.57 -0.12 2.91 5.02 -1.26 -1.56 118.16 126.76 1gth n LYS 861 Ca -0.08 0.98 0.00 0.00 -2.02 0.00 0.00 58.31 57.19 1gth n LYS 861 Cb 0.50 -5.57 0.00 0.00 -0.02 0.00 0.00 35.03 29.94 1gth n LYS 861 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1gth n GLY 862 N -0.98 2.64 3.65 0.72 0.00 -1.26 -4.52 105.19 105.44 1gth n GLY 862 Ca -0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 1gth n GLY 862 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gth s LYS 863 N -0.04 4.11 0.18 1.61 1.02 -0.60 -4.41 119.74 121.60 1gth s LYS 863 Ca 0.00 0.11 -0.33 0.00 0.02 0.00 0.00 55.97 55.77 1gth s LYS 863 Cb 0.00 -3.58 -0.15 0.00 -0.52 0.00 0.00 37.83 33.58 1gth s LYS 863 CO 0.00 -0.12 1.28 -0.35 -0.92 0.00 0.00 175.35 175.24 1gth n PRO 864 N 4.77 1.46 -2.29 -1.68 -0.04 -1.26 -2.00 135.00 133.95 1gth n PRO 864 Ca -0.09 0.52 -0.41 0.00 -0.04 0.00 0.00 63.50 63.48 1gth n PRO 864 Cb 0.51 -2.10 -0.03 0.00 -0.04 0.00 0.00 33.50 31.84 1gth n PRO 864 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1gth s VAL 865 N 0.02 3.27 0.30 0.52 1.01 -0.43 -4.87 120.40 120.22 1gth s VAL 865 Ca 0.74 1.13 -0.30 0.00 0.00 0.00 0.00 61.98 63.55 1gth s VAL 865 Cb -0.80 -3.72 -0.11 0.00 0.00 0.00 0.00 36.38 31.74 1gth s VAL 865 CO 0.50 0.21 1.60 -2.84 0.00 0.00 0.00 175.10 174.56 1gth s PRO 866 N -0.68 4.11 -0.89 2.72 0.02 -1.26 -4.91 135.00 134.12 1gth s PRO 866 Ca 0.52 2.59 -0.03 0.00 0.02 0.00 0.00 61.00 64.10 1gth s PRO 866 Cb -0.35 -3.02 0.20 0.00 0.02 0.00 0.00 34.50 31.36 1gth s PRO 866 CO 0.41 -0.64 2.29 0.54 -0.33 0.00 0.00 177.00 179.26 1gth n ARG 867 N 2.14 3.70 -3.17 5.54 1.74 -1.26 -4.92 116.66 120.43 1gth n ARG 867 Ca 0.08 -3.42 -0.39 0.00 -0.77 0.00 0.00 57.85 53.35 1gth n ARG 867 Cb 0.37 -2.36 -0.05 0.00 -1.02 0.00 0.00 32.46 29.39 1gth n ARG 867 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1gth s ILE 868 N -3.15 5.00 0.21 0.55 1.01 -1.26 -4.97 121.20 118.59 1gth s ILE 868 Ca 0.52 1.27 -0.09 0.00 0.00 0.00 0.00 60.65 62.35 1gth s ILE 868 Cb 0.31 -3.95 0.15 0.00 0.01 0.00 0.00 42.46 38.98 1gth s ILE 868 CO -0.22 0.35 1.80 0.00 0.00 0.00 0.00 174.94 176.86 1gth h ALA 869 N 6.20 0.92 0.00 9.38 0.00 -1.95 -0.97 119.26 132.83 1gth h ALA 869 Ca -0.43 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1gth h ALA 869 Cb 1.20 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1gth h ALA 869 CO 0.73 0.01 0.00 0.39 0.00 0.00 0.00 179.25 180.38 1gth n GLU 870 N -4.82 0.29 -0.03 0.00 4.71 -1.26 -2.86 120.64 116.68 1gth n GLU 870 Ca 0.09 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.21 1gth n GLU 870 Cb 0.21 -1.38 -0.03 0.00 -1.01 0.00 0.00 31.44 29.22 1gth n GLU 870 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1gth n LEU 871 N -0.88 1.71 -4.72 -4.62 4.77 -0.40 -4.93 117.00 107.94 1gth n LEU 871 Ca 0.05 -0.02 -0.42 0.00 -0.03 0.00 0.00 56.01 55.59 1gth n LEU 871 Cb 0.02 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 1gth n LEU 871 CO 0.04 0.40 1.32 -0.04 -1.33 0.00 0.00 177.39 177.78 1gth s MET 872 N -2.12 4.16 -1.21 3.23 -1.94 -1.04 -2.88 119.30 117.50 1gth s MET 872 Ca -0.06 2.51 -0.08 0.00 -1.71 0.00 0.00 55.69 56.36 1gth s MET 872 Cb 0.02 -3.12 0.01 0.00 2.01 0.00 0.00 34.83 33.74 1gth s MET 872 CO 0.16 -0.70 1.00 0.41 -0.01 0.00 0.00 175.02 175.88 1gth n GLY 873 N 3.90 -0.37 0.31 -0.03 0.00 -1.26 -4.91 105.19 102.83 1gth n GLY 873 Ca 0.15 0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.36 1gth n GLY 873 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gth n LYS 874 N -4.40 1.34 -3.57 1.61 4.76 -1.14 -5.00 118.16 111.77 1gth n LYS 874 Ca -0.00 -0.84 -0.19 0.00 -2.87 0.00 0.00 58.31 54.40 1gth n LYS 874 Cb 0.56 -1.14 0.06 0.00 -1.84 0.00 0.00 35.03 32.67 1gth n LYS 874 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1gth n LYS 875 N 0.13 -5.48 -3.69 1.97 4.76 -1.26 -4.95 118.16 109.64 1gth n LYS 875 Ca 0.05 0.73 -0.37 0.00 -2.87 0.00 0.00 58.31 55.85 1gth n LYS 875 Cb 0.23 -5.48 -0.09 0.00 -1.84 0.00 0.00 35.03 27.85 1gth n LYS 875 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1gth s LEU 876 N -6.48 5.33 1.00 -0.35 1.43 -1.26 -5.01 118.68 113.33 1gth s LEU 876 Ca 0.03 -2.94 -0.12 0.00 -1.03 0.00 0.00 54.13 50.07 1gth s LEU 876 Cb -0.01 -1.87 0.19 0.00 0.03 0.00 0.00 46.19 44.53 1gth s LEU 876 CO 0.77 -0.36 1.08 -2.16 0.23 0.00 0.00 176.35 175.92 1gth s PRO 877 N -0.19 0.40 -0.70 1.29 0.04 -1.26 -4.90 135.00 129.68 1gth s PRO 877 Ca 0.18 0.93 -0.05 0.00 0.04 0.00 0.00 61.00 62.09 1gth s PRO 877 Cb -0.19 -1.70 -0.01 0.00 0.04 0.00 0.00 34.50 32.64 1gth s PRO 877 CO -0.04 -2.86 2.89 0.09 0.04 0.00 0.00 177.00 177.12 1gth n ASN 878 N -4.32 6.86 -3.67 6.66 3.02 -1.26 -3.56 115.26 118.99 1gth n ASN 878 Ca 0.06 -2.96 -0.09 0.00 -0.03 0.00 0.00 54.58 51.57 1gth n ASN 878 Cb 0.55 -1.34 -0.02 0.00 -0.61 0.00 0.00 39.78 38.35 1gth n ASN 878 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1gth s PHE 879 N -0.53 -0.34 0.00 3.10 -0.12 -1.26 -4.84 117.98 113.99 1gth s PHE 879 Ca 0.61 -0.01 0.00 0.00 -0.05 0.00 0.00 56.93 57.48 1gth s PHE 879 Cb 0.30 0.64 0.00 0.00 -0.63 0.00 0.00 43.02 43.33 1gth s PHE 879 CO -0.12 -1.05 0.00 0.41 -0.05 0.00 0.00 175.22 174.41 1gth n GLY 880 N -0.42 1.23 0.31 1.99 0.00 0.12 -1.45 105.19 106.95 1gth n GLY 880 Ca -0.10 -0.52 0.14 0.00 0.00 0.00 0.00 46.02 45.54 1gth n GLY 880 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gth h PRO 881 N 0.00 0.00 -0.56 1.61 0.13 -1.76 -1.30 132.00 130.12 1gth h PRO 881 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.03 1gth h PRO 881 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1gth h PRO 881 CO 0.00 0.00 -0.06 1.88 -0.23 0.00 0.00 178.00 179.59 1gth h TYR 882 N 0.00 1.11 -0.69 1.56 -1.99 -1.73 -1.92 116.97 113.30 1gth h TYR 882 Ca 0.05 -0.20 -0.05 0.00 2.00 0.00 0.00 58.73 60.52 1gth h TYR 882 Cb 0.23 -0.28 -0.03 0.00 2.00 0.00 0.00 36.73 38.65 1gth h TYR 882 CO 0.00 1.01 0.23 1.25 -0.00 0.00 0.00 178.16 180.65 1gth h LEU 883 N 0.91 1.00 -0.85 3.88 5.85 -0.08 -1.37 115.31 124.65 1gth h LEU 883 Ca 0.15 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.70 1gth h LEU 883 Cb 0.61 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 1gth h LEU 883 CO 0.04 0.93 0.55 -0.08 -0.34 0.00 0.00 178.44 179.54 1gth h GLU 884 N 1.01 1.04 -0.43 1.25 4.81 -1.27 -1.56 114.58 119.42 1gth h GLU 884 Ca 0.23 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1gth h GLU 884 Cb 0.28 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1gth h GLU 884 CO -0.01 0.69 -0.06 1.96 -0.73 0.00 0.00 179.01 180.86 1gth h GLN 885 N 1.07 0.81 -0.49 1.92 4.20 -0.92 -2.22 115.11 119.47 1gth h GLN 885 Ca 0.33 -0.29 0.02 0.00 0.06 0.00 0.00 58.65 58.78 1gth h GLN 885 Cb -0.01 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 1gth h GLN 885 CO -0.11 0.90 0.30 0.00 -0.67 0.00 0.00 178.83 179.25 1gth h ARG 886 N 0.64 0.58 -0.77 1.46 3.08 -0.76 -1.00 114.38 117.60 1gth h ARG 886 Ca 0.12 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 1gth h ARG 886 Cb 0.58 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.46 1gth h ARG 886 CO 0.03 0.38 0.38 0.87 -1.07 0.00 0.00 179.97 180.57 1gth h LYS 887 N 0.59 1.09 -0.45 0.04 1.57 -1.22 0.04 116.57 118.24 1gth h LYS 887 Ca 0.20 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1gth h LYS 887 Cb 0.01 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 1gth h LYS 887 CO -0.08 0.84 0.24 -0.22 -0.57 0.00 0.00 179.45 179.66 1gth h LYS 888 N 1.07 0.62 -0.52 3.15 3.64 -0.98 -0.16 116.57 123.40 1gth h LYS 888 Ca 0.26 -0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.48 1gth h LYS 888 Cb 0.10 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 1gth h LYS 888 CO -0.04 0.50 -0.02 0.82 -2.27 0.00 0.00 179.45 178.45 1gth h ILE 889 N 0.58 1.25 -0.42 2.00 2.04 -0.80 -1.81 117.51 120.36 1gth h ILE 889 Ca 0.16 -1.08 -0.08 0.00 1.00 0.00 0.00 64.86 64.85 1gth h ILE 889 Cb 0.06 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1gth h ILE 889 CO -0.02 0.38 -0.07 0.40 0.00 0.00 0.00 178.15 178.84 1gth h ILE 890 N 0.82 1.27 -0.72 -0.67 2.04 -0.66 -1.58 117.51 118.01 1gth h ILE 890 Ca 0.15 -1.15 -0.06 0.00 1.00 0.00 0.00 64.86 64.80 1gth h ILE 890 Cb 0.51 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 1gth h ILE 890 CO 0.03 0.39 0.20 0.00 0.00 0.00 0.00 178.15 178.76 1gth h ALA 891 N 0.86 0.95 -0.63 1.87 0.00 -0.92 -1.72 119.26 119.67 1gth h ALA 891 Ca 0.11 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1gth h ALA 891 Cb 0.59 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1gth h ALA 891 CO 0.04 0.65 0.38 1.49 0.00 0.00 0.00 179.25 181.81 1gth h GLU 892 N 1.08 0.86 -0.55 0.00 4.81 -1.19 -1.95 114.58 117.64 1gth h GLU 892 Ca 0.23 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1gth h GLU 892 Cb 0.34 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 1gth h GLU 892 CO -0.00 0.62 0.15 1.49 -0.73 0.00 0.00 179.01 180.54 1gth h GLU 893 N 0.86 0.83 -0.64 1.92 4.57 -0.90 -1.22 114.58 120.01 1gth h GLU 893 Ca 0.23 -0.16 -0.08 0.00 -1.18 0.00 0.00 59.36 58.17 1gth h GLU 893 Cb -0.02 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.42 1gth h GLU 893 CO -0.04 0.73 0.11 0.87 -1.18 0.00 0.00 179.01 179.50 1gth h LYS 894 N 0.81 1.07 -0.46 1.92 1.79 -0.74 -0.74 116.57 120.21 1gth h LYS 894 Ca 0.18 -0.29 -0.10 0.00 -2.18 0.00 0.00 60.65 58.27 1gth h LYS 894 Cb 0.26 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.77 1gth h LYS 894 CO -0.01 0.99 -0.12 0.52 -1.08 0.00 0.00 179.45 179.75 1gth h MET 895 N 0.98 0.84 -0.49 3.15 2.86 -0.98 -1.85 114.93 119.44 1gth h MET 895 Ca 0.20 -0.29 -0.06 0.00 -2.06 0.00 0.00 59.70 57.49 1gth h MET 895 Cb 0.44 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 1gth h MET 895 CO 0.01 0.91 0.08 -0.09 1.06 0.00 0.00 176.91 178.88 1gth h ARG 896 N 0.75 0.82 0.00 1.72 2.43 -0.93 -2.45 114.38 116.72 1gth h ARG 896 Ca 0.12 -0.22 -0.05 0.00 -0.81 0.00 0.00 59.98 59.02 1gth h ARG 896 Cb 0.62 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1gth h ARG 896 CO 0.04 0.82 -0.23 -0.07 -1.51 0.00 0.00 179.97 179.02 1gth h LEU 897 N 0.69 0.00 -1.47 3.80 3.38 -0.95 -0.67 115.31 120.08 1gth h LEU 897 Ca 0.15 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1gth h LEU 897 Cb 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1gth h LEU 897 CO 0.01 0.23 -0.19 0.50 0.09 0.00 0.00 178.44 179.07 1gth h LYS 898 N 0.00 0.00 0.00 1.13 3.64 -0.86 -2.62 116.57 117.86 1gth h LYS 898 Ca -0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1gth h LYS 898 Cb 0.50 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1gth h LYS 898 CO 0.03 0.19 -0.21 0.93 -2.27 0.00 0.00 179.45 178.12 1gth h GLU 899 N 0.00 0.00 0.00 1.90 5.08 -0.88 -3.52 114.58 117.16 1gth h GLU 899 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1gth h GLU 899 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1gth h GLU 899 CO 0.03 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.08 1gth n GLN 900 N -3.01 0.00 -3.63 2.33 6.02 -0.99 -5.12 117.38 112.97 1gth n GLN 900 Ca 0.03 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.00 1gth n GLN 900 Cb 0.53 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.75 1gth n GLN 900 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1gth s GLU 908 N 0.48 0.58 -0.17 -1.09 2.02 -1.26 -5.06 118.70 114.21 1gth s GLU 908 Ca 0.00 1.37 -0.26 0.00 0.02 0.00 0.00 54.97 56.10 1gth s GLU 908 Cb 0.00 0.73 -0.01 0.00 0.10 0.00 0.00 34.13 34.95 1gth s GLU 908 CO 0.00 -0.19 0.87 0.50 0.02 0.00 0.00 175.26 176.47 1gth s ARG 909 N 2.67 4.31 -0.04 1.61 3.52 -1.26 -5.03 118.95 124.73 1gth s ARG 909 Ca -0.06 1.10 0.04 0.00 -0.13 0.00 0.00 55.73 56.67 1gth s ARG 909 Cb -0.11 -3.58 -0.00 0.00 -1.56 0.00 0.00 34.95 29.71 1gth s ARG 909 CO -0.19 -0.36 -0.15 0.15 -0.81 0.00 0.00 175.30 173.94 1gth s LYS 910 N 2.23 1.55 0.38 5.12 1.02 -1.26 -5.14 119.74 123.65 1gth s LYS 910 Ca 0.40 -0.53 -0.25 0.00 0.02 0.00 0.00 55.97 55.61 1gth s LYS 910 Cb -0.17 -1.38 -0.09 0.00 -0.52 0.00 0.00 37.83 35.68 1gth s LYS 910 CO 0.12 0.22 1.04 -1.25 -0.92 0.00 0.00 175.35 174.57 1gth s PRO 911 N 0.04 4.25 0.28 -1.68 0.04 -1.26 -4.94 135.00 131.73 1gth s PRO 911 Ca -0.03 1.52 -0.28 0.00 0.04 0.00 0.00 61.00 62.25 1gth s PRO 911 Cb -0.10 -2.63 -0.09 0.00 0.04 0.00 0.00 34.50 31.71 1gth s PRO 911 CO 0.02 -0.06 0.97 -0.06 0.04 0.00 0.00 177.00 177.90 1gth s PHE 912 N -1.61 3.82 -0.11 0.56 2.99 -0.69 -5.05 117.98 117.90 1gth s PHE 912 Ca 0.56 1.84 0.01 0.00 0.00 0.00 0.00 56.93 59.34 1gth s PHE 912 Cb -0.23 -3.01 -0.02 0.00 0.00 0.00 0.00 43.02 39.77 1gth s PHE 912 CO 0.28 0.22 -0.13 0.42 -0.00 0.00 0.00 175.22 176.00 1gth s ILE 913 N -1.33 3.04 -0.13 0.64 1.01 -1.26 -4.90 121.20 118.27 1gth s ILE 913 Ca 0.45 -0.68 -0.34 0.00 0.00 0.00 0.00 60.65 60.08 1gth s ILE 913 Cb -0.24 -2.25 -0.11 0.00 0.01 0.00 0.00 42.46 39.86 1gth s ILE 913 CO 0.30 0.54 1.95 -2.65 0.00 0.00 0.00 174.94 175.09 1gth n PRO 914 N 3.21 2.05 -0.94 2.79 -0.02 -1.26 -4.74 135.00 136.08 1gth n PRO 914 Ca -0.18 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1gth n PRO 914 Cb 0.53 -2.68 0.34 0.00 -0.02 0.00 0.00 33.50 31.67 1gth n PRO 914 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1gth n LYS 915 N 7.03 4.22 -3.58 -0.52 5.02 -0.72 -4.91 118.16 124.70 1gth n LYS 915 Ca 0.25 -3.02 -0.08 0.00 -2.02 0.00 0.00 58.31 53.43 1gth n LYS 915 Cb 0.30 -2.22 -0.04 0.00 -0.02 0.00 0.00 35.03 33.04 1gth n LYS 915 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1gth s LYS 916 N -2.82 0.51 0.37 1.97 2.20 -1.26 -5.04 119.74 115.68 1gth s LYS 916 Ca 0.53 0.06 -0.27 0.00 -0.36 0.00 0.00 55.97 55.93 1gth s LYS 916 Cb 0.42 0.24 -0.11 0.00 -1.51 0.00 0.00 37.83 36.86 1gth s LYS 916 CO 0.14 -0.17 1.35 -0.35 -0.36 0.00 0.00 175.35 175.96 1gth n PRO 917 N 0.54 2.24 -2.30 4.03 -0.04 -1.26 -4.76 135.00 133.45 1gth n PRO 917 Ca -0.08 0.79 -0.42 0.00 -0.04 0.00 0.00 63.50 63.75 1gth n PRO 917 Cb 0.58 -2.45 -0.03 0.00 -0.04 0.00 0.00 33.50 31.57 1gth n PRO 917 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1gth s ILE 918 N -1.13 3.92 0.57 0.52 -1.09 -1.26 -4.80 121.20 117.92 1gth s ILE 918 Ca 0.56 1.26 -0.20 0.00 -2.23 0.00 0.00 60.65 60.05 1gth s ILE 918 Cb -0.52 -3.81 -0.04 0.00 -1.58 0.00 0.00 42.46 36.50 1gth s ILE 918 CO 0.62 -0.02 1.21 -2.16 -1.23 0.00 0.00 174.94 173.36 1gth s PRO 919 N 2.51 3.13 0.30 2.79 0.04 -1.26 -5.03 135.00 137.47 1gth s PRO 919 Ca 0.61 1.84 0.04 0.00 0.04 0.00 0.00 61.00 63.53 1gth s PRO 919 Cb -0.29 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.20 1gth s PRO 919 CO 0.24 -1.08 0.45 0.00 0.04 0.00 0.00 177.00 176.64 1gth s ALA 920 N -1.57 3.93 0.26 8.56 0.00 -1.26 -4.93 121.76 126.75 1gth s ALA 920 Ca 0.75 -1.20 -0.01 0.00 0.00 0.00 0.00 51.96 51.50 1gth s ALA 920 Cb -0.31 -1.83 0.57 0.00 0.00 0.00 0.00 23.12 21.56 1gth s ALA 920 CO 0.34 0.08 1.70 0.82 0.00 0.00 0.00 175.76 178.70 1gth h ILE 921 N 0.97 0.53 -0.06 0.00 1.08 -1.80 0.43 117.51 118.66 1gth h ILE 921 Ca -0.50 -0.13 0.02 0.00 -0.39 0.00 0.00 64.86 63.86 1gth h ILE 921 Cb 1.23 0.13 -0.00 0.00 -3.07 0.00 0.00 36.82 35.11 1gth h ILE 921 CO 0.59 0.07 0.08 0.07 -0.69 0.00 0.00 178.15 178.27 1gth h LYS 922 N 0.37 0.00 0.00 2.37 2.10 -1.94 -1.25 116.57 118.22 1gth h LYS 922 Ca 0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.13 1gth h LYS 922 Cb 0.83 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.16 1gth h LYS 922 CO -0.49 0.00 -0.11 -0.44 -2.00 0.00 0.00 179.45 176.41 1gth h ASP 923 N 0.00 0.00 0.00 7.07 3.32 -0.51 -3.33 116.42 122.97 1gth h ASP 923 Ca 0.03 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1gth h ASP 923 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1gth h ASP 923 CO -0.00 0.01 -1.62 1.33 -1.72 0.00 0.00 179.24 177.24 1gth n VAL 924 N -2.69 0.00 -1.68 -1.35 0.24 -0.51 -4.86 118.33 107.48 1gth n VAL 924 Ca 0.04 -0.34 -0.44 0.00 -2.04 0.00 0.00 64.34 61.56 1gth n VAL 924 Cb 0.49 0.28 -0.04 0.00 -1.47 0.00 0.00 33.84 33.10 1gth n VAL 924 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1gth n ILE 925 N -1.98 0.42 -0.96 1.34 5.41 -0.99 -2.07 119.36 120.53 1gth n ILE 925 Ca -0.02 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.66 1gth n ILE 925 Cb 0.43 -2.02 0.00 0.00 -0.71 0.00 0.00 39.64 37.34 1gth n ILE 925 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1gth n GLY 926 N 4.20 0.81 0.05 7.39 0.00 -0.30 -4.86 105.19 112.49 1gth n GLY 926 Ca 0.19 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.27 1gth n GLY 926 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gth n LYS 927 N -2.14 0.06 0.07 1.61 4.76 -0.88 -2.04 118.16 119.61 1gth n LYS 927 Ca 0.00 0.43 0.07 0.00 -2.87 0.00 0.00 58.31 55.93 1gth n LYS 927 Cb 0.01 -1.64 -0.04 0.00 -1.84 0.00 0.00 35.03 31.52 1gth n LYS 927 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1gth n ALA 928 N -1.60 2.29 0.01 7.82 0.00 -0.59 -4.17 120.51 124.28 1gth n ALA 928 Ca 0.01 -0.36 0.21 0.00 0.00 0.00 0.00 53.44 53.30 1gth n ALA 928 Cb 0.10 -1.04 0.71 0.00 0.00 0.00 0.00 19.45 19.22 1gth n ALA 928 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1gth h LEU 929 N 0.00 0.00 -2.30 0.00 3.38 -1.53 -1.21 115.31 113.66 1gth h LEU 929 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1gth h LEU 929 Cb 1.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 1gth h LEU 929 CO 0.02 0.00 -0.03 0.06 0.09 0.00 0.00 178.44 178.58 1gth h GLN 930 N 0.00 0.00 0.00 1.13 3.07 -1.76 -2.08 115.11 115.47 1gth h GLN 930 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.99 1gth h GLN 930 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.59 1gth h GLN 930 CO -0.00 0.03 -0.46 0.66 0.09 0.00 0.00 178.83 179.15 1gth n TYR 931 N -3.85 0.43 -3.17 0.06 4.02 -0.46 -4.89 117.16 109.30 1gth n TYR 931 Ca -0.03 0.13 -0.37 0.00 -0.01 0.00 0.00 57.90 57.62 1gth n TYR 931 Cb 0.12 -0.59 -0.06 0.00 -0.02 0.00 0.00 39.34 38.79 1gth n TYR 931 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1gth s LEU 932 N -3.89 4.43 0.00 7.72 1.43 -0.78 -5.04 118.68 122.55 1gth s LEU 932 Ca 0.09 1.35 0.00 0.00 -1.03 0.00 0.00 54.13 54.53 1gth s LEU 932 Cb 0.15 -3.31 0.00 0.00 0.03 0.00 0.00 46.19 43.06 1gth s LEU 932 CO 0.68 0.14 0.00 0.61 0.23 0.00 0.00 176.35 178.01 1gth n GLY 933 N 1.12 1.56 3.91 -3.19 0.00 -1.26 -5.03 105.19 102.30 1gth n GLY 933 Ca -0.05 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 44.94 1gth n GLY 933 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1gth s THR 934 N -2.46 2.40 0.27 2.61 -4.23 -1.26 -4.97 115.64 108.00 1gth s THR 934 Ca 0.00 -0.06 -0.00 0.00 -1.18 0.00 0.00 61.69 60.45 1gth s THR 934 Cb 0.00 -3.09 0.10 0.00 1.34 0.00 0.00 72.50 70.85 1gth s THR 934 CO 0.00 -0.10 1.75 0.15 -0.54 0.00 0.00 174.62 175.88 1gth h PHE 935 N -0.76 0.72 0.00 3.99 3.57 -2.02 -2.69 116.94 119.75 1gth h PHE 935 Ca -0.45 -0.12 -0.02 0.00 3.53 0.00 0.00 57.97 60.91 1gth h PHE 935 Cb 1.31 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.86 1gth h PHE 935 CO 0.35 0.73 -0.09 0.78 -2.23 0.00 0.00 178.31 177.86 1gth h GLY 936 N 0.96 0.00 1.30 2.40 0.00 -2.04 -1.59 103.07 104.09 1gth h GLY 936 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1gth h GLY 936 CO 0.03 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.75 1gth n GLU 937 N -3.75 0.69 -3.31 4.80 1.02 -1.01 -4.77 120.64 114.30 1gth n GLU 937 Ca -0.02 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.74 1gth n GLU 937 Cb 0.19 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.05 1gth n GLU 937 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1gth s LEU 938 N -2.30 4.51 -0.02 -4.62 1.43 -0.60 -5.00 118.68 112.09 1gth s LEU 938 Ca 0.37 1.21 -0.29 0.00 -1.03 0.00 0.00 54.13 54.39 1gth s LEU 938 Cb 0.21 -2.87 -0.03 0.00 0.03 0.00 0.00 46.19 43.53 1gth s LEU 938 CO 0.41 0.28 0.95 -0.55 0.23 0.00 0.00 176.35 177.67 1gth s SER 939 N -1.13 7.31 0.00 2.29 0.15 -1.26 -4.93 113.70 116.12 1gth s SER 939 Ca 0.29 1.59 0.20 0.00 0.70 0.00 0.00 55.95 58.73 1gth s SER 939 Cb -0.19 -2.55 0.50 0.00 -1.71 0.00 0.00 66.02 62.08 1gth s SER 939 CO 0.18 -0.26 1.42 -0.46 1.20 0.00 0.00 173.24 175.32 1gth n ASN 940 N 4.01 3.57 -0.03 5.45 0.23 -1.26 -4.18 115.26 123.05 1gth n ASN 940 Ca 0.05 -1.98 0.04 0.00 -0.53 0.00 0.00 54.58 52.16 1gth n ASN 940 Cb 0.51 -0.36 -0.14 0.00 -2.08 0.00 0.00 39.78 37.71 1gth n ASN 940 CO 0.00 0.00 0.00 2.30 -0.93 0.00 0.00 177.26 178.63 1gth n ILE 941 N 1.37 0.36 -2.46 1.53 -5.35 -1.26 -4.63 119.36 108.92 1gth n ILE 941 Ca 0.20 -0.50 -0.43 0.00 -0.27 0.00 0.00 62.75 61.75 1gth n ILE 941 Cb 0.57 -0.11 0.00 0.00 -1.74 0.00 0.00 39.64 38.36 1gth n ILE 941 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1gth n GLU 942 N -2.28 3.58 -2.35 6.28 1.02 -1.26 -4.98 120.64 120.66 1gth n GLU 942 Ca -0.11 -3.60 -0.28 0.00 -0.02 0.00 0.00 57.16 53.16 1gth n GLU 942 Cb 0.65 -2.94 0.02 0.00 -0.02 0.00 0.00 31.44 29.14 1gth n GLU 942 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1gth s GLN 943 N 0.58 3.22 0.22 3.49 -1.52 -1.26 -4.99 119.66 119.40 1gth s GLN 943 Ca 0.40 0.22 0.03 0.00 -1.95 0.00 0.00 55.36 54.06 1gth s GLN 943 Cb 0.07 -2.26 -0.05 0.00 -0.22 0.00 0.00 33.01 30.56 1gth s GLN 943 CO 0.01 -0.55 0.01 0.14 -0.25 0.00 0.00 175.29 174.65 1gth s VAL 944 N -2.97 0.93 0.08 1.09 -7.23 -1.26 -1.57 120.40 109.47 1gth s VAL 944 Ca 0.52 -2.02 0.01 0.00 -1.81 0.00 0.00 61.98 58.68 1gth s VAL 944 Cb -0.11 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 1gth s VAL 944 CO 0.47 -0.33 -0.05 0.68 -0.31 0.00 0.00 175.10 175.56 1gth s VAL 945 N -3.49 0.50 0.12 1.32 -7.23 -0.24 -3.22 120.40 108.17 1gth s VAL 945 Ca 0.28 -1.86 -0.22 0.00 -1.81 0.00 0.00 61.98 58.37 1gth s VAL 945 Cb 0.06 -1.58 -0.07 0.00 0.56 0.00 0.00 36.38 35.34 1gth s VAL 945 CO 0.08 -0.91 0.66 0.00 -0.31 0.00 0.00 175.10 174.63 1gth s ALA 946 N -3.68 3.52 -0.06 1.32 0.00 -1.26 -1.16 121.76 120.45 1gth s ALA 946 Ca 0.09 0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.25 1gth s ALA 946 Cb 0.06 -2.78 0.02 0.00 0.00 0.00 0.00 23.12 20.42 1gth s ALA 946 CO -0.07 0.35 -0.07 0.54 0.00 0.00 0.00 175.76 176.51 1gth s VAL 947 N -1.14 0.78 -0.17 0.00 0.11 -0.23 -4.76 120.40 114.99 1gth s VAL 947 Ca 0.32 -0.26 -0.07 0.00 -2.93 0.00 0.00 61.98 59.04 1gth s VAL 947 Cb -0.21 -0.76 -0.04 0.00 -1.53 0.00 0.00 36.38 33.84 1gth s VAL 947 CO 0.22 0.28 0.08 -0.63 -3.33 0.00 0.00 175.10 171.72 1gth s ILE 948 N 0.87 4.97 -0.62 7.04 1.01 -1.26 -1.70 121.20 131.51 1gth s ILE 948 Ca -0.11 0.03 -0.22 0.00 0.00 0.00 0.00 60.65 60.34 1gth s ILE 948 Cb -0.15 -3.22 0.07 0.00 0.01 0.00 0.00 42.46 39.16 1gth s ILE 948 CO 0.01 0.49 0.92 -0.62 0.00 0.00 0.00 174.94 175.74 1gth s ASP 949 N 0.07 6.21 0.63 3.58 -1.08 -0.37 -4.90 116.67 120.80 1gth s ASP 949 Ca 0.06 -0.90 0.33 0.00 -0.52 0.00 0.00 52.55 51.53 1gth s ASP 949 Cb -0.12 -2.40 1.85 0.00 -1.46 0.00 0.00 42.92 40.78 1gth s ASP 949 CO 0.00 -1.34 2.13 -0.33 0.52 0.00 0.00 175.17 176.15 1gth h GLU 950 N 9.45 0.00 0.00 4.34 5.08 -1.93 -1.57 114.58 129.95 1gth h GLU 950 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1gth h GLU 950 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1gth h GLU 950 CO 1.14 0.00 0.00 0.93 -1.00 0.00 0.00 179.01 180.08 1gth h GLU 951 N 0.00 0.00 0.00 2.33 4.39 -1.95 -3.26 114.58 116.10 1gth h GLU 951 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1gth h GLU 951 Cb 0.41 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1gth h GLU 951 CO -0.00 0.00 -1.72 -1.33 -1.16 0.00 0.00 179.01 174.80 1gth n MET 952 N -3.10 0.54 -1.81 2.33 2.81 -0.61 -4.58 117.12 112.71 1gth n MET 952 Ca 0.03 -0.15 -0.41 0.00 -1.81 0.00 0.00 57.70 55.36 1gth n MET 952 Cb 0.45 -1.49 -0.00 0.00 -0.71 0.00 0.00 33.22 31.47 1gth n MET 952 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1gth n ILE 954 N 0.44 2.32 -2.19 0.00 -5.35 -1.26 -4.92 119.36 108.40 1gth n ILE 954 Ca 0.01 -2.02 -0.16 0.00 -0.27 0.00 0.00 62.75 60.30 1gth n ILE 954 Cb 0.39 -0.27 -0.02 0.00 -1.74 0.00 0.00 39.64 38.00 1gth n ILE 954 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1gth n ASN 955 N -0.65 -4.75 0.16 7.28 4.13 -1.26 -4.89 115.26 115.27 1gth n ASN 955 Ca 0.23 0.17 0.03 0.00 1.68 0.00 0.00 54.58 56.69 1gth n ASN 955 Cb 0.91 -4.06 0.22 0.00 -1.54 0.00 0.00 39.78 35.31 1gth n ASN 955 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1gth n GLY 957 N 0.54 0.45 0.23 0.00 0.00 -1.26 -4.95 105.19 100.20 1gth n GLY 957 Ca 0.00 -0.66 -0.06 0.00 0.00 0.00 0.00 46.02 45.30 1gth n GLY 957 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gth h LYS 958 N 0.37 0.55 -0.69 1.61 1.57 -1.94 -1.02 116.57 117.03 1gth h LYS 958 Ca -0.01 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.49 1gth h LYS 958 Cb 0.04 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1gth h LYS 958 CO 0.01 0.83 0.37 0.00 -0.57 0.00 0.00 179.45 180.09 1gth h TYR 960 N 0.96 -0.10 -0.60 0.00 -0.00 -1.87 -1.82 116.97 113.53 1gth h TYR 960 Ca 0.24 -0.00 -0.06 0.00 -0.00 0.00 0.00 58.73 58.91 1gth h TYR 960 Cb 0.06 0.03 -0.03 0.00 -0.00 0.00 0.00 36.73 36.80 1gth h TYR 960 CO -0.00 0.02 0.13 0.52 -0.00 0.00 0.00 178.16 178.83 1gth h MET 961 N -0.21 0.95 -0.46 1.82 2.86 -0.99 -0.63 114.93 118.27 1gth h MET 961 Ca -0.01 -0.22 -0.12 0.00 -2.06 0.00 0.00 59.70 57.29 1gth h MET 961 Cb 0.17 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1gth h MET 961 CO 0.02 0.86 -0.17 1.15 1.06 0.00 0.00 176.91 179.83 1gth h THR 962 N 0.90 1.27 0.00 2.22 2.02 -1.08 -1.44 112.91 116.81 1gth h THR 962 Ca 0.19 -1.31 -0.09 0.00 0.77 0.00 0.00 66.41 65.97 1gth h THR 962 Cb 0.35 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1gth h THR 962 CO 0.00 0.45 -0.43 0.00 0.37 0.00 0.00 175.52 175.92 1gth h ASN 964 N 0.00 0.03 -0.02 0.00 2.35 -0.81 -0.76 115.58 116.36 1gth h ASN 964 Ca -0.00 -0.71 0.00 0.00 -0.55 0.00 0.00 56.30 55.04 1gth h ASN 964 Cb 0.86 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.22 1gth h ASN 964 CO 0.06 0.73 -0.10 0.47 -1.65 0.00 0.00 177.43 176.93 1gth n ASP 965 N -4.73 2.59 0.00 5.81 9.92 -0.57 -4.42 116.55 125.15 1gth n ASP 965 Ca -0.09 -1.79 0.00 0.00 -0.53 0.00 0.00 54.79 52.38 1gth n ASP 965 Cb 0.36 0.12 0.00 0.00 -0.64 0.00 0.00 41.12 40.96 1gth n ASP 965 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1gth n SER 966 N 0.91 0.06 0.00 -2.24 7.64 0.55 -5.06 113.62 115.49 1gth n SER 966 Ca 0.12 -1.03 0.00 0.00 1.01 0.00 0.00 58.87 58.97 1gth n SER 966 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 1gth n SER 966 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gth n GLY 967 N -0.01 4.61 0.16 0.23 0.00 -0.63 -4.85 105.19 104.69 1gth n GLY 967 Ca 0.00 -0.62 0.08 0.00 0.00 0.00 0.00 46.02 45.48 1gth n GLY 967 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gth n TYR 968 N 0.00 0.00 -4.10 1.61 4.02 -0.49 -4.88 117.16 113.32 1gth n TYR 968 Ca 0.00 -0.86 -0.32 0.00 -0.01 0.00 0.00 57.90 56.71 1gth n TYR 968 Cb 0.00 -0.14 -0.02 0.00 -0.02 0.00 0.00 39.34 39.16 1gth n TYR 968 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1gth n GLN 969 N -1.21 -3.35 0.00 -0.72 3.00 -0.41 -4.85 117.38 109.84 1gth n GLN 969 Ca 0.14 0.39 0.12 0.00 -0.01 0.00 0.00 57.00 57.64 1gth n GLN 969 Cb 0.65 -4.88 0.15 0.00 0.00 0.00 0.00 30.24 26.17 1gth n GLN 969 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1gth n ALA 970 N -4.42 2.62 -2.87 -1.58 0.00 -1.26 -4.94 120.51 108.06 1gth n ALA 970 Ca -0.08 -0.65 -0.34 0.00 0.00 0.00 0.00 53.44 52.38 1gth n ALA 970 Cb 0.57 -0.86 -0.12 0.00 0.00 0.00 0.00 19.45 19.04 1gth n ALA 970 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1gth s ILE 971 N -2.07 3.74 -0.14 0.00 1.01 -1.26 -0.48 121.20 122.00 1gth s ILE 971 Ca 0.28 -0.43 -0.14 0.00 0.00 0.00 0.00 60.65 60.37 1gth s ILE 971 Cb 0.20 -2.60 -0.05 0.00 0.01 0.00 0.00 42.46 40.02 1gth s ILE 971 CO 0.34 0.53 0.31 -1.10 0.00 0.00 0.00 174.94 175.02 1gth s GLN 972 N 0.01 4.18 -0.30 2.79 -0.21 -0.22 -4.92 119.66 120.98 1gth s GLN 972 Ca -0.00 0.13 0.01 0.00 0.02 0.00 0.00 55.36 55.52 1gth s GLN 972 Cb -0.13 -3.39 0.07 0.00 1.00 0.00 0.00 33.01 30.55 1gth s GLN 972 CO 0.03 0.31 -0.01 0.12 -2.12 0.00 0.00 175.29 173.62 1gth s PHE 973 N 0.23 3.39 0.15 0.91 5.36 -1.26 -0.64 117.98 126.11 1gth s PHE 973 Ca 0.18 -2.30 -0.31 0.00 -0.96 0.00 0.00 56.93 53.53 1gth s PHE 973 Cb -0.13 -2.30 -0.11 0.00 -0.34 0.00 0.00 43.02 40.14 1gth s PHE 973 CO 0.05 -0.88 1.75 0.34 -1.46 0.00 0.00 175.22 175.02 1gth s ASP 974 N 1.19 6.45 0.32 6.13 2.15 -0.83 -4.90 116.67 127.19 1gth s ASP 974 Ca -0.02 2.74 0.26 0.00 0.43 0.00 0.00 52.55 55.95 1gth s ASP 974 Cb -0.20 -2.58 1.07 0.00 -0.30 0.00 0.00 42.92 40.92 1gth s ASP 974 CO -0.04 -0.96 1.77 1.55 -0.17 0.00 0.00 175.17 177.32 1gth h PRO 975 N 7.85 0.00 0.00 4.34 0.13 -1.98 0.47 132.00 142.81 1gth h PRO 975 Ca -0.44 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.32 1gth h PRO 975 Cb 1.21 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 1gth h PRO 975 CO 0.94 0.00 -2.34 0.39 -0.23 0.00 0.00 178.00 176.76 1gth n GLU 976 N -2.41 0.56 0.01 0.86 -0.58 -1.26 -4.66 120.64 113.16 1gth n GLU 976 Ca 0.02 0.16 0.11 0.00 -0.42 0.00 0.00 57.16 57.03 1gth n GLU 976 Cb 0.24 -1.44 -0.09 0.00 -0.57 0.00 0.00 31.44 29.57 1gth n GLU 976 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1gth n THR 977 N -3.46 0.05 -3.52 2.62 -2.24 -1.24 -4.98 114.28 101.51 1gth n THR 977 Ca -0.44 -0.24 -0.25 0.00 -2.27 0.00 0.00 64.05 60.85 1gth n THR 977 Cb 0.91 0.43 0.05 0.00 -2.10 0.00 0.00 70.33 69.61 1gth n THR 977 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1gth n HIS 978 N -1.89 -2.40 -4.35 4.78 8.25 0.16 -4.78 115.22 114.98 1gth n HIS 978 Ca 0.01 0.81 -0.34 0.00 -0.26 0.00 0.00 57.72 57.94 1gth n HIS 978 Cb 0.44 -4.41 -0.11 0.00 1.12 0.00 0.00 29.99 27.03 1gth n HIS 978 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1gth s LEU 979 N -7.08 3.40 0.24 2.41 1.43 -1.26 -4.29 118.68 113.53 1gth s LEU 979 Ca 0.52 -0.03 -0.09 0.00 -1.03 0.00 0.00 54.13 53.50 1gth s LEU 979 Cb -0.25 -1.81 -0.07 0.00 0.03 0.00 0.00 46.19 44.09 1gth s LEU 979 CO 0.65 0.23 0.55 -2.16 0.23 0.00 0.00 176.35 175.85 1gth s PRO 980 N 0.03 3.79 -0.08 1.29 0.04 -1.26 -1.96 135.00 136.85 1gth s PRO 980 Ca 0.02 0.25 -0.02 0.00 0.04 0.00 0.00 61.00 61.29 1gth s PRO 980 Cb -0.13 -2.64 0.03 0.00 0.04 0.00 0.00 34.50 31.80 1gth s PRO 980 CO 0.02 0.30 0.02 0.99 0.04 0.00 0.00 177.00 178.38 1gth s THR 981 N -1.85 0.25 -0.11 1.26 2.01 0.19 -4.94 115.64 112.45 1gth s THR 981 Ca 0.47 0.13 -0.30 0.00 0.31 0.00 0.00 61.69 62.30 1gth s THR 981 Cb -0.11 -0.48 -0.02 0.00 0.01 0.00 0.00 72.50 71.90 1gth s THR 981 CO 0.22 0.18 1.16 -0.69 -0.69 0.00 0.00 174.62 174.80 1gth s VAL 982 N 2.02 4.41 0.76 3.82 1.01 -1.26 -1.06 120.40 130.10 1gth s VAL 982 Ca 0.04 1.71 -0.01 0.00 0.00 0.00 0.00 61.98 63.72 1gth s VAL 982 Cb -0.13 -4.10 0.15 0.00 0.00 0.00 0.00 36.38 32.30 1gth s VAL 982 CO -0.05 -0.05 1.04 0.42 0.00 0.00 0.00 175.10 176.47 1gth s THR 983 N 2.55 2.01 -2.02 3.92 -4.23 0.37 -4.98 115.64 113.25 1gth s THR 983 Ca 0.53 -0.59 0.10 0.00 -1.18 0.00 0.00 61.69 60.55 1gth s THR 983 Cb -0.22 -2.42 0.28 0.00 1.34 0.00 0.00 72.50 71.48 1gth s THR 983 CO 0.18 0.00 1.36 -0.90 -0.54 0.00 0.00 174.62 174.72 1gth n ASP 984 N -2.95 0.25 -0.29 3.99 5.75 -1.26 -2.78 116.55 119.25 1gth n ASP 984 Ca 0.17 -1.73 0.13 0.00 -0.01 0.00 0.00 54.79 53.35 1gth n ASP 984 Cb 0.61 -0.02 0.60 0.00 -1.03 0.00 0.00 41.12 41.27 1gth n ASP 984 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1gth n THR 985 N -0.50 0.05 -1.83 2.12 -2.24 -1.26 -4.88 114.28 105.75 1gth n THR 985 Ca 0.08 -0.17 -0.41 0.00 -2.27 0.00 0.00 64.05 61.28 1gth n THR 985 Cb 0.07 0.07 -0.01 0.00 -2.10 0.00 0.00 70.33 68.37 1gth n THR 985 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gth n THR 987 N 0.75 0.00 -1.54 0.00 -2.24 -1.26 -4.96 114.28 105.03 1gth n THR 987 Ca 0.02 -0.43 -0.07 0.00 -2.27 0.00 0.00 64.05 61.30 1gth n THR 987 Cb 0.39 1.19 -0.02 0.00 -2.10 0.00 0.00 70.33 69.79 1gth n THR 987 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gth n GLY 988 N 0.86 0.60 0.31 3.38 0.00 -1.20 -4.76 105.19 104.38 1gth n GLY 988 Ca 0.06 -0.69 0.12 0.00 0.00 0.00 0.00 46.02 45.51 1gth n GLY 988 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gth n THR 990 N -4.48 0.00 -0.26 0.00 -1.04 -1.26 -4.97 114.28 102.28 1gth n THR 990 Ca 0.02 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.96 1gth n THR 990 Cb 0.29 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 68.84 1gth n THR 990 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1gth h LEU 991 N 0.00 1.03 -0.53 -4.42 3.38 -1.97 -2.50 115.31 110.30 1gth h LEU 991 Ca 0.00 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.80 1gth h LEU 991 Cb 0.00 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 1gth h LEU 991 CO 0.00 0.96 0.29 0.00 0.09 0.00 0.00 178.44 179.78 1gth h LEU 993 N 0.57 0.46 -1.33 0.00 6.46 -1.90 -2.18 115.31 117.40 1gth h LEU 993 Ca 0.22 -0.09 -0.04 0.00 -0.12 0.00 0.00 57.88 57.85 1gth h LEU 993 Cb 0.09 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 39.89 1gth h LEU 993 CO -0.13 0.56 -0.19 0.28 -0.62 0.00 0.00 178.44 178.33 1gth h SER 994 N 0.47 0.00 -0.01 1.25 0.02 -0.75 -3.17 113.55 111.36 1gth h SER 994 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1gth h SER 994 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1gth h SER 994 CO 0.01 0.19 -0.40 1.33 -1.14 0.00 0.00 176.83 176.83 1gth n VAL 995 N -3.43 0.00 -1.89 2.27 0.24 -0.79 -4.99 118.33 109.74 1gth n VAL 995 Ca -0.00 -0.30 -0.42 0.00 -2.04 0.00 0.00 64.34 61.58 1gth n VAL 995 Cb 0.38 1.13 -0.03 0.00 -1.47 0.00 0.00 33.84 33.85 1gth n VAL 995 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1gth h PRO 997 N 6.61 0.00 -4.76 0.00 0.13 -1.92 -3.42 132.00 128.63 1gth h PRO 997 Ca -0.43 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.03 1gth h PRO 997 Cb 1.20 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.15 1gth h PRO 997 CO 0.91 0.00 -0.46 0.42 -0.23 0.00 0.00 178.00 178.64 1gth s ILE 998 N -3.49 5.28 0.12 -3.56 -1.09 -1.26 -5.04 121.20 112.15 1gth s ILE 998 Ca 0.03 -0.14 -0.32 0.00 -2.23 0.00 0.00 60.65 58.00 1gth s ILE 998 Cb 0.08 -3.70 -0.12 0.00 -1.58 0.00 0.00 42.46 37.15 1gth s ILE 998 CO 0.56 0.02 1.79 -0.38 -1.23 0.00 0.00 174.94 175.69 1gth n ILE 999 N 5.11 0.29 -1.16 2.92 5.41 -1.26 -2.10 119.36 128.56 1gth n ILE 999 Ca -0.12 -0.05 -0.06 0.00 1.00 0.00 0.00 62.75 63.52 1gth n ILE 999 Cb 0.50 -1.98 -0.02 0.00 -0.71 0.00 0.00 39.64 37.43 1gth n ILE 999 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1gth n ASP 1000N 5.18 -4.84 -0.18 4.38 10.43 -1.26 -4.86 116.55 125.40 1gth n ASP 1000Ca 0.18 0.14 -0.11 0.00 2.57 0.00 0.00 54.79 57.57 1gth n ASP 1000Cb 0.35 -2.83 0.01 0.00 1.84 0.00 0.00 41.12 40.48 1gth n ASP 1000CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1gth s ILE 1002N -4.83 4.08 0.07 0.00 1.01 -1.26 -1.23 121.20 119.03 1gth s ILE 1002Ca -0.12 -0.32 0.04 0.00 0.00 0.00 0.00 60.65 60.25 1gth s ILE 1002Cb 0.12 -2.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.83 1gth s ILE 1002CO 0.85 0.56 -0.11 -0.13 0.00 0.00 0.00 174.94 176.12 1gth s ARG 1003N -0.42 0.75 -0.21 2.79 0.52 -0.69 -4.94 118.95 116.76 1gth s ARG 1003Ca 0.07 -0.99 -0.13 0.00 -0.52 0.00 0.00 55.73 54.16 1gth s ARG 1003Cb -0.12 -0.56 -0.04 0.00 0.52 0.00 0.00 34.95 34.75 1gth s ARG 1003CO 0.02 0.10 0.27 -1.64 0.02 0.00 0.00 175.30 174.08 1gth s MET 1004N -2.16 4.14 0.17 3.54 -1.94 -1.26 -1.07 119.30 120.73 1gth s MET 1004Ca -0.01 -0.03 0.09 0.00 -1.71 0.00 0.00 55.69 54.04 1gth s MET 1004Cb -0.07 -3.52 -0.04 0.00 2.01 0.00 0.00 34.83 33.21 1gth s MET 1004CO 0.01 0.05 -0.19 0.14 -0.01 0.00 0.00 175.02 175.02 1gth s VAL 1005N 1.05 1.93 0.26 -6.03 -7.23 -0.31 -4.92 120.40 105.16 1gth s VAL 1005Ca 0.13 -1.96 -0.30 0.00 -1.81 0.00 0.00 61.98 58.04 1gth s VAL 1005Cb -0.14 -1.91 -0.13 0.00 0.56 0.00 0.00 36.38 34.77 1gth s VAL 1005CO 0.05 -0.29 1.41 -1.20 -0.31 0.00 0.00 175.10 174.76 1gth n SER 1006N 0.25 2.88 -4.74 4.85 7.64 -1.26 -1.07 113.62 122.16 1gth n SER 1006Ca -0.13 1.15 -0.41 0.00 1.01 0.00 0.00 58.87 60.50 1gth n SER 1006Cb 0.57 -1.46 -0.03 0.00 -1.01 0.00 0.00 64.21 62.28 1gth n SER 1006CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1gth s ARG 1007N -0.68 4.48 -0.02 1.43 3.52 -0.61 -4.75 118.95 122.32 1gth s ARG 1007Ca 0.65 1.89 0.22 0.00 -0.13 0.00 0.00 55.73 58.37 1gth s ARG 1007Cb -0.62 -3.24 -0.31 0.00 -1.56 0.00 0.00 34.95 29.23 1gth s ARG 1007CO 0.52 -0.11 0.59 0.25 -0.81 0.00 0.00 175.30 175.74 1gth n THR 1008N 2.56 0.01 -3.56 4.11 -2.24 -1.26 -4.93 114.28 108.96 1gth n THR 1008Ca 0.05 -0.37 -0.27 0.00 -2.27 0.00 0.00 64.05 61.18 1gth n THR 1008Cb 0.44 0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.90 1gth n THR 1008CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1gth s THR 1009N -3.39 5.14 0.13 4.28 -4.23 -1.26 -5.04 115.64 111.28 1gth s THR 1009Ca -0.04 -0.24 -0.31 0.00 -1.18 0.00 0.00 61.69 59.92 1gth s THR 1009Cb 0.14 -3.74 -0.09 0.00 1.34 0.00 0.00 72.50 70.15 1gth s THR 1009CO 0.90 -0.25 1.52 -2.84 -0.54 0.00 0.00 174.62 173.41 1gth s PRO 1010N -3.47 4.24 0.07 3.99 0.02 -1.26 -4.97 135.00 133.63 1gth s PRO 1010Ca 0.40 2.26 -0.26 0.00 0.02 0.00 0.00 61.00 63.43 1gth s PRO 1010Cb -0.11 -3.25 -0.06 0.00 0.02 0.00 0.00 34.50 31.11 1gth s PRO 1010CO 0.30 -0.57 0.81 -0.47 -0.33 0.00 0.00 177.00 176.73 1gth s TYR 1011N 1.36 3.77 -0.10 6.54 5.04 -1.26 -5.05 117.35 127.66 1gth s TYR 1011Ca 0.69 1.56 -0.03 0.00 -2.44 0.00 0.00 57.07 56.85 1gth s TYR 1011Cb -0.41 -2.86 0.04 0.00 0.35 0.00 0.00 41.96 39.08 1gth s TYR 1011CO 0.31 0.29 0.07 -1.21 -1.34 0.00 0.00 175.55 173.67 1gth s GLU 1012N -0.19 -0.02 0.37 4.97 2.02 -1.26 -5.14 118.70 119.46 1gth s GLU 1012Ca 0.40 0.18 -0.28 0.00 0.02 0.00 0.00 54.97 55.29 1gth s GLU 1012Cb -0.21 -1.07 -0.11 0.00 0.10 0.00 0.00 34.13 32.84 1gth s GLU 1012CO 0.25 -0.47 1.45 -2.14 0.02 0.00 0.00 175.26 174.37 1gth s PRO 1013N 2.16 4.13 -0.37 0.39 0.02 -1.26 -4.96 135.00 135.12 1gth s PRO 1013Ca 0.04 2.51 -0.25 0.00 0.02 0.00 0.00 61.00 63.31 1gth s PRO 1013Cb -0.14 -2.97 0.01 0.00 0.02 0.00 0.00 34.50 31.42 1gth s PRO 1013CO -0.06 -0.49 0.88 0.15 -0.33 0.00 0.00 177.00 177.16 1gth s LYS 1014N -2.06 3.81 0.00 5.54 1.02 -1.26 -4.91 119.74 121.89 1gth s LYS 1014Ca 0.52 0.50 0.25 0.00 0.02 0.00 0.00 55.97 57.26 1gth s LYS 1014Cb -0.45 -3.80 0.42 0.00 -0.52 0.00 0.00 37.83 33.48 1gth s LYS 1014CO 0.61 -0.92 1.36 0.54 -0.92 0.00 0.00 175.35 176.02 1gth n ARG 1015N 6.66 0.02 0.00 1.68 5.12 -1.26 -4.95 116.66 123.92 1gth n ARG 1015Ca 0.06 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 1gth n ARG 1015Cb 0.48 -1.51 0.00 0.00 -1.16 0.00 0.00 32.46 30.27 1gth n ARG 1015CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1gth n GLY 1016N 1.49 1.69 2.87 -0.13 0.00 -1.26 -4.77 105.19 105.09 1gth n GLY 1016Ca 0.05 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 1gth n GLY 1016CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gth s LEU 1017N 0.00 1.80 0.85 0.99 1.43 -1.26 -5.10 118.68 117.39 1gth s LEU 1017Ca 0.00 -0.02 -0.14 0.00 -1.03 0.00 0.00 54.13 52.94 1gth s LEU 1017Cb 0.00 -0.09 0.01 0.00 0.03 0.00 0.00 46.19 46.14 1gth s LEU 1017CO 0.00 -0.01 0.53 -2.65 0.23 0.00 0.00 176.35 174.45 1gth n PRO 1018N 3.30 -0.01 -3.48 1.29 -0.02 -1.26 -5.01 135.00 129.80 1gth n PRO 1018Ca -0.16 0.05 -0.25 0.00 -2.02 0.00 0.00 63.50 61.12 1gth n PRO 1018Cb 0.57 -1.91 -0.02 0.00 -0.02 0.00 0.00 33.50 32.13 1gth n PRO 1018CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1gth s LEU 1019N -1.21 4.09 0.00 2.45 1.43 -1.26 -5.14 118.68 119.04 1gth s LEU 1019Ca 0.62 0.46 0.24 0.00 -1.03 0.00 0.00 54.13 54.42 1gth s LEU 1019Cb -0.27 -3.29 0.19 0.00 0.03 0.00 0.00 46.19 42.85 1gth s LEU 1019CO 0.62 -0.20 1.25 0.00 0.23 0.00 0.00 176.35 178.25