#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 -0.53 -2.38 0.00 -0.02 -1.26 -4.76 135.00 126.05 1gth n PRO 3 Ca 0.00 -0.13 -0.41 0.00 -2.02 0.00 0.00 63.50 60.95 1gth n PRO 3 Cb 0.00 -1.65 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 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 -2.28 3.67 0.24 -1.45 1.01 -1.26 -4.86 120.40 115.47 1gth s VAL 4 Ca 0.53 0.48 -0.05 0.00 0.00 0.00 0.00 61.98 62.94 1gth s VAL 4 Cb -0.17 -4.51 0.16 0.00 0.00 0.00 0.00 36.38 31.85 1gth s VAL 4 CO 0.69 -1.37 1.80 -0.07 0.00 0.00 0.00 175.10 176.15 1gth h LEU 5 N 13.75 0.96 -0.80 3.92 3.38 -2.00 -3.01 115.31 131.51 1gth h LEU 5 Ca -0.27 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1gth h LEU 5 Cb 1.09 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1gth h LEU 5 CO 1.22 0.88 0.00 -1.54 0.09 0.00 0.00 178.44 179.10 1gth n SER 6 N -4.27 0.78 -4.26 -0.43 3.41 -1.26 -4.80 113.62 102.79 1gth n SER 6 Ca 0.06 -1.96 -0.24 0.00 -0.26 0.00 0.00 58.87 56.47 1gth n SER 6 Cb 0.21 -0.39 -0.13 0.00 -0.26 0.00 0.00 64.21 63.64 1gth n SER 6 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1gth s LYS 7 N -1.20 1.18 0.11 4.33 1.02 -1.14 -5.13 119.74 118.92 1gth s LYS 7 Ca 0.00 -1.05 -0.28 0.00 0.02 0.00 0.00 55.97 54.66 1gth s LYS 7 Cb 0.00 -1.37 -0.06 0.00 -0.52 0.00 0.00 37.83 35.88 1gth s LYS 7 CO 0.00 0.33 0.87 -0.51 -0.92 0.00 0.00 175.35 175.12 1gth s ASP 8 N -1.60 7.41 0.84 2.83 1.01 -1.26 -4.98 116.67 120.92 1gth s ASP 8 Ca 0.06 1.68 -0.12 0.00 0.71 0.00 0.00 52.55 54.89 1gth s ASP 8 Cb -0.09 -2.54 0.09 0.00 1.01 0.00 0.00 42.92 41.39 1gth s ASP 8 CO 0.03 0.03 1.10 0.68 0.21 0.00 0.00 175.17 177.22 1gth s VAL 9 N -0.34 2.80 0.28 -1.27 -7.23 -1.26 -4.69 120.40 108.69 1gth s VAL 9 Ca 0.42 0.26 0.01 0.00 -1.81 0.00 0.00 61.98 60.86 1gth s VAL 9 Cb -0.23 -2.95 0.30 0.00 0.56 0.00 0.00 36.38 34.06 1gth s VAL 9 CO 0.27 -0.34 1.66 0.00 -0.31 0.00 0.00 175.10 176.38 1gth h ALA 10 N -1.26 1.24 -0.39 1.32 0.00 -1.98 -1.05 119.26 117.14 1gth h ALA 10 Ca -0.48 0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.69 1gth h ALA 10 Cb 1.28 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 19.31 1gth h ALA 10 CO 0.59 -0.44 0.10 -0.44 0.00 0.00 0.00 179.25 179.07 1gth h ASP 11 N 0.23 0.07 -0.23 0.00 3.32 -1.99 -0.19 116.42 117.64 1gth h ASP 11 Ca 0.53 0.06 -0.19 0.00 0.02 0.00 0.00 57.03 57.45 1gth h ASP 11 Cb 1.05 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1gth h ASP 11 CO -0.62 0.08 -0.61 0.40 -1.72 0.00 0.00 179.24 176.77 1gth h ILE 12 N 0.24 1.28 -0.87 0.35 1.08 -1.67 -1.64 117.51 116.29 1gth h ILE 12 Ca 0.18 -1.80 0.09 0.00 -0.39 0.00 0.00 64.86 62.94 1gth h ILE 12 Cb 0.20 1.80 -0.06 0.00 -3.07 0.00 0.00 36.82 35.68 1gth h ILE 12 CO -0.22 0.58 0.57 -0.08 -0.69 0.00 0.00 178.15 178.31 1gth h GLU 13 N 0.56 0.87 -0.27 2.37 4.81 -0.97 0.65 114.58 122.60 1gth h GLU 13 Ca -0.01 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 1gth h GLU 13 Cb 1.22 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 1gth h GLU 13 CO 0.13 0.57 -0.14 1.03 -0.73 0.00 0.00 179.01 179.87 1gth h SER 14 N 0.89 0.59 0.30 1.04 0.87 -0.81 -2.80 113.55 113.64 1gth h SER 14 Ca 0.39 -0.41 -0.04 0.00 -1.23 0.00 0.00 61.79 60.50 1gth h SER 14 Cb 0.35 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1gth h SER 14 CO -0.16 0.88 -0.17 -0.29 -0.53 0.00 0.00 176.83 176.56 1gth h ILE 15 N 0.31 0.86 -0.20 2.23 2.10 -0.27 -2.15 117.51 120.39 1gth h ILE 15 Ca 0.06 -0.65 0.00 0.00 1.08 0.00 0.00 64.86 65.35 1gth h ILE 15 Cb 0.66 1.38 0.00 0.00 -1.09 0.00 0.00 36.82 37.77 1gth h ILE 15 CO 0.04 0.17 0.00 0.18 -1.08 0.00 0.00 178.15 177.46 1gth n LEU 16 N -3.95 1.67 -0.33 2.19 4.77 0.11 -4.48 117.00 116.99 1gth n LEU 16 Ca -0.02 -0.73 0.14 0.00 -0.03 0.00 0.00 56.01 55.37 1gth n LEU 16 Cb 0.26 -0.13 0.33 0.00 -2.33 0.00 0.00 43.42 41.55 1gth n LEU 16 CO 0.33 0.37 1.12 0.00 -1.33 0.00 0.00 177.39 177.88 1gth h ALA 17 N 3.95 1.59 -0.43 -1.18 0.00 -1.13 -0.83 119.26 121.23 1gth h ALA 17 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1gth h ALA 17 Cb 0.47 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1gth h ALA 17 CO 0.00 -0.24 0.00 1.28 0.00 0.00 0.00 179.25 180.29 1gth n LEU 18 N -4.92 3.04 -4.74 0.00 4.32 -1.26 -4.94 117.00 108.49 1gth n LEU 18 Ca 0.24 -1.39 -0.41 0.00 -0.02 0.00 0.00 56.01 54.43 1gth n LEU 18 Cb 0.65 -0.28 -0.03 0.00 -1.62 0.00 0.00 43.42 42.14 1gth n LEU 18 CO 0.16 0.69 1.03 0.21 -1.22 0.00 0.00 177.39 178.27 1gth s ASN 19 N -1.32 6.80 0.32 -1.43 2.47 -0.32 -4.94 114.94 116.52 1gth s ASN 19 Ca 0.38 2.52 -0.29 0.00 0.42 0.00 0.00 52.86 55.89 1gth s ASN 19 Cb 0.21 -2.62 -0.12 0.00 -1.45 0.00 0.00 41.25 37.28 1gth s ASN 19 CO 0.29 -0.59 1.55 -0.81 -3.72 0.00 0.00 177.10 173.82 1gth n PRO 20 N 2.38 2.66 -3.73 0.43 -0.04 -1.26 -5.02 135.00 130.42 1gth n PRO 20 Ca 0.06 0.94 -0.12 0.00 -0.04 0.00 0.00 63.50 64.34 1gth n PRO 20 Cb 0.42 -2.70 -0.13 0.00 -0.04 0.00 0.00 33.50 31.05 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 -1.05 0.21 0.21 0.54 0.52 -1.26 -5.14 118.95 112.99 1gth s ARG 21 Ca 0.60 0.52 -0.30 0.00 -0.52 0.00 0.00 55.73 56.03 1gth s ARG 21 Cb -0.49 -0.10 -0.09 0.00 0.52 0.00 0.00 34.95 34.79 1gth s ARG 21 CO 0.54 -0.15 1.34 0.99 0.02 0.00 0.00 175.30 178.04 1gth s THR 22 N 1.16 3.07 0.46 0.02 2.01 -1.26 -4.99 115.64 116.11 1gth s THR 22 Ca -0.08 0.88 -0.22 0.00 0.31 0.00 0.00 61.69 62.58 1gth s THR 22 Cb -0.10 -3.56 -0.08 0.00 0.01 0.00 0.00 72.50 68.77 1gth s THR 22 CO -0.08 0.13 1.09 -1.10 -0.69 0.00 0.00 174.62 173.97 1gth s GLN 23 N -0.15 3.84 -0.00 4.92 -1.52 -1.26 -4.96 119.66 120.53 1gth s GLN 23 Ca 0.58 1.55 0.22 0.00 -1.95 0.00 0.00 55.36 55.75 1gth s GLN 23 Cb -0.38 -2.30 -0.19 0.00 -0.22 0.00 0.00 33.01 29.92 1gth s GLN 23 CO 0.39 -0.43 0.85 -1.13 -0.25 0.00 0.00 175.29 174.73 1gth n SER 24 N -0.61 0.74 -4.14 5.90 3.41 -1.26 -4.98 113.62 112.69 1gth n SER 24 Ca 0.08 -0.69 -0.10 0.00 -0.26 0.00 0.00 58.87 57.90 1gth n SER 24 Cb 0.50 1.14 -0.10 0.00 -0.26 0.00 0.00 64.21 65.50 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 -3.12 0.85 0.62 7.33 3.76 -1.26 -5.14 115.29 118.32 1gth s HIS 25 Ca 0.05 -1.21 -0.17 0.00 -0.15 0.00 0.00 55.06 53.57 1gth s HIS 25 Cb 0.16 -0.46 -0.02 0.00 1.11 0.00 0.00 32.58 33.37 1gth s HIS 25 CO 0.86 -0.54 1.15 0.00 -0.85 0.00 0.00 174.74 175.36 1gth s ALA 26 N -4.05 2.51 0.74 -1.40 0.00 -1.26 -5.00 121.76 113.30 1gth s ALA 26 Ca 0.25 0.78 -0.11 0.00 0.00 0.00 0.00 51.96 52.88 1gth s ALA 26 Cb 0.07 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.85 1gth s ALA 26 CO 0.02 -1.17 1.09 0.00 0.00 0.00 0.00 175.76 175.71 1gth s ALA 27 N -1.94 2.62 -0.20 0.00 0.00 -1.26 -5.07 121.76 115.90 1gth s ALA 27 Ca 0.72 -0.26 -0.04 0.00 0.00 0.00 0.00 51.96 52.38 1gth s ALA 27 Cb -0.25 -3.07 0.07 0.00 0.00 0.00 0.00 23.12 19.87 1gth s ALA 27 CO 0.35 -1.38 0.08 -1.17 0.00 0.00 0.00 175.76 173.64 1gth s LEU 28 N -5.54 0.70 -0.13 0.00 2.96 -1.26 -5.10 118.68 110.30 1gth s LEU 28 Ca 0.59 -0.81 -0.04 0.00 -0.22 0.00 0.00 54.13 53.65 1gth s LEU 28 Cb -0.13 -0.39 0.07 0.00 0.50 0.00 0.00 46.19 46.24 1gth s LEU 28 CO 0.53 -0.35 0.25 -1.00 -1.32 0.00 0.00 176.35 174.46 1gth s HIS 29 N 2.03 -0.40 0.81 5.38 3.76 -1.26 -5.15 115.29 120.46 1gth s HIS 29 Ca 0.02 0.87 -0.13 0.00 -0.15 0.00 0.00 55.06 55.67 1gth s HIS 29 Cb -0.16 -0.09 0.08 0.00 1.11 0.00 0.00 32.58 33.52 1gth s HIS 29 CO -0.13 -0.38 1.20 -1.13 -0.85 0.00 0.00 174.74 173.45 1gth n SER 30 N 5.35 1.02 0.18 1.40 3.41 -1.26 -4.81 113.62 118.91 1gth n SER 30 Ca -0.06 0.59 0.05 0.00 -0.26 0.00 0.00 58.87 59.19 1gth n SER 30 Cb 0.50 -1.51 0.48 0.00 -0.26 0.00 0.00 64.21 63.42 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 -0.89 1.13 -0.12 6.66 2.02 -2.01 -1.79 112.91 117.91 1gth h THR 31 Ca -0.46 -0.58 -0.05 0.00 0.77 0.00 0.00 66.41 66.09 1gth h THR 31 Cb 1.30 1.21 -0.00 0.00 -1.74 0.00 0.00 68.15 68.92 1gth h THR 31 CO 0.46 0.17 -0.11 0.25 0.37 0.00 0.00 175.52 176.66 1gth h LEU 32 N 0.10 0.31 -0.77 2.58 5.85 -2.00 -2.06 115.31 119.32 1gth h LEU 32 Ca 0.02 -0.47 0.06 0.00 0.84 0.00 0.00 57.88 58.33 1gth h LEU 32 Cb 0.28 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 1gth h LEU 32 CO 0.02 0.72 0.46 0.00 -0.34 0.00 0.00 178.44 179.30 1gth h ALA 33 N 0.60 1.06 -0.51 1.25 0.00 -1.80 -1.98 119.26 117.87 1gth h ALA 33 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1gth h ALA 33 Cb 0.63 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1gth h ALA 33 CO 0.03 0.17 0.22 0.87 0.00 0.00 0.00 179.25 180.53 1gth h LYS 34 N 0.84 0.76 -0.97 0.00 1.79 -1.28 -1.62 116.57 116.09 1gth h LYS 34 Ca 0.34 -0.13 0.02 0.00 -2.18 0.00 0.00 60.65 58.70 1gth h LYS 34 Cb 0.19 -0.13 -0.05 0.00 -1.58 0.00 0.00 32.23 30.66 1gth h LYS 34 CO -0.18 0.66 0.64 0.87 -1.08 0.00 0.00 179.45 180.36 1gth h LYS 35 N 0.69 1.24 0.00 3.15 1.57 -0.84 -0.54 116.57 121.84 1gth h LYS 35 Ca 0.17 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 1gth h LYS 35 Cb 0.18 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1gth h LYS 35 CO -0.02 0.82 -0.42 -0.07 -0.57 0.00 0.00 179.45 179.20 1gth h LEU 36 N 1.28 0.00 0.00 2.94 3.38 -1.13 -3.26 115.31 118.52 1gth h LEU 36 Ca 0.37 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.14 1gth h LEU 36 Cb -0.09 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1gth h LEU 36 CO -0.09 0.42 -1.35 -0.78 0.09 0.00 0.00 178.44 176.73 1gth h ASP 37 N 0.00 0.00 -0.60 -0.43 3.58 -0.70 -3.40 116.42 114.88 1gth h ASP 37 Ca -0.00 0.00 0.12 0.00 0.42 0.00 0.00 57.03 57.56 1gth h ASP 37 Cb 0.99 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 41.95 1gth h ASP 37 CO 0.05 0.73 0.08 0.50 -2.88 0.00 0.00 179.24 177.73 1gth h LYS 38 N 0.00 0.19 0.00 0.28 3.64 -1.16 -2.44 116.57 117.09 1gth h LYS 38 Ca -0.16 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1gth h LYS 38 Cb 1.70 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.48 1gth h LYS 38 CO 0.07 0.13 -0.02 0.87 -2.27 0.00 0.00 179.45 178.23 1gth h LYS 39 N 0.20 0.00 -0.07 1.90 1.57 -1.77 -2.71 116.57 115.69 1gth h LYS 39 Ca 0.31 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.02 1gth h LYS 39 Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1gth h LYS 39 CO -0.44 0.02 -0.32 1.25 -0.57 0.00 0.00 179.45 179.39 1gth h HIS 40 N 0.00 0.14 -0.02 -1.35 2.76 -1.70 -3.20 115.15 111.78 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 0.09 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.02 1gth h HIS 40 CO 0.00 0.44 -0.03 0.91 -1.30 0.00 0.00 177.93 177.94 1gth n TRP 41 N -4.13 0.00 -1.66 5.26 7.02 -1.03 -3.57 117.44 119.34 1gth n TRP 41 Ca -0.01 0.00 -0.54 0.00 -1.02 0.00 0.00 57.50 55.92 1gth n TRP 41 Cb 0.39 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.21 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 0.93 1.25 -0.10 -0.99 3.00 -1.19 -4.40 118.16 116.66 1gth n LYS 42 Ca 0.10 0.46 -0.20 0.00 -0.00 0.00 0.00 58.31 58.67 1gth n LYS 42 Cb 0.45 -2.14 -0.08 0.00 0.00 0.00 0.00 35.03 33.26 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 4.22 0.45 -2.51 1.64 5.12 -1.26 0.24 116.66 124.56 1gth n ARG 43 Ca 0.23 0.17 -0.24 0.00 -1.93 0.00 0.00 57.85 56.08 1gth n ARG 43 Cb 0.17 -1.28 0.11 0.00 -1.16 0.00 0.00 32.46 30.30 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 -6.61 4.25 0.41 0.55 4.22 -1.26 -4.94 114.94 111.56 1gth s ASN 44 Ca -0.28 -0.26 -0.27 0.00 -2.14 0.00 0.00 52.86 49.91 1gth s ASN 44 Cb 0.10 -0.10 -0.09 0.00 1.28 0.00 0.00 41.25 42.44 1gth s ASN 44 CO 0.39 -1.93 1.42 -2.84 -2.04 0.00 0.00 177.10 172.09 1gth s PRO 45 N -5.22 3.91 -0.28 3.55 0.02 -1.26 -4.97 135.00 130.76 1gth s PRO 45 Ca 0.67 2.41 -0.25 0.00 0.02 0.00 0.00 61.00 63.85 1gth s PRO 45 Cb -0.05 -2.80 0.00 0.00 0.02 0.00 0.00 34.50 31.67 1gth s PRO 45 CO 0.45 -0.63 0.86 0.34 -0.33 0.00 0.00 177.00 177.69 1gth s ASP 46 N -0.43 6.78 0.38 2.53 -1.08 -1.26 -4.92 116.67 118.68 1gth s ASP 46 Ca 0.57 0.88 0.26 0.00 -0.52 0.00 0.00 52.55 53.74 1gth s ASP 46 Cb -0.43 -2.44 1.36 0.00 -1.46 0.00 0.00 42.92 39.94 1gth s ASP 46 CO 0.57 -0.63 1.80 0.07 0.52 0.00 0.00 175.17 177.50 1gth h LYS 47 N 7.93 0.00 0.00 4.34 2.10 -2.04 -1.41 116.57 127.49 1gth h LYS 47 Ca -0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.42 1gth h LYS 47 Cb 1.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 1gth h LYS 47 CO 0.91 0.00 -0.96 0.09 -2.00 0.00 0.00 179.45 177.49 1gth n ASN 48 N -2.42 0.64 -4.69 7.07 3.02 -1.26 -4.88 115.26 112.74 1gth n ASN 48 Ca -0.01 -0.32 -0.41 0.00 -0.03 0.00 0.00 54.58 53.81 1gth n ASN 48 Cb 0.07 0.76 -0.04 0.00 -0.61 0.00 0.00 39.78 39.97 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 4.48 0.19 -4.85 0.00 3.01 -1.26 -4.90 117.46 114.12 1gth n PHE 50 Ca 0.03 -0.09 -0.30 0.00 1.01 0.00 0.00 57.45 58.10 1gth n PHE 50 Cb 0.50 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.83 1gth n PHE 50 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 1gth s HIS 51 N -1.81 2.33 -0.02 1.38 3.76 -1.26 -4.97 115.29 114.68 1gth s HIS 51 Ca 0.34 -0.41 0.04 0.00 -0.15 0.00 0.00 55.06 54.88 1gth s HIS 51 Cb 0.20 -1.38 -0.03 0.00 1.11 0.00 0.00 32.58 32.49 1gth s HIS 51 CO 0.30 0.15 -0.12 0.00 -0.85 0.00 0.00 174.74 174.23 1gth n GLU 53 N 1.98 0.05 -2.03 0.00 0.28 -1.26 -4.84 120.64 114.82 1gth n GLU 53 Ca -0.17 0.02 -0.41 0.00 -0.16 0.00 0.00 57.16 56.45 1gth n GLU 53 Cb 0.52 -1.19 -0.02 0.00 1.43 0.00 0.00 31.44 32.19 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 -1.80 4.29 0.00 3.44 1.02 -1.26 -4.93 119.74 120.50 1gth s LYS 54 Ca 0.52 2.31 0.00 0.00 0.02 0.00 0.00 55.97 58.82 1gth s LYS 54 Cb -0.34 -3.04 0.00 0.00 -0.52 0.00 0.00 37.83 33.93 1gth s LYS 54 CO 0.71 -0.28 0.91 1.28 -0.92 0.00 0.00 175.35 177.05 1gth n LEU 55 N 0.71 1.73 -4.67 3.17 4.77 -1.26 -4.83 117.00 116.62 1gth n LEU 55 Ca 0.00 -1.73 -0.46 0.00 -0.03 0.00 0.00 56.01 53.79 1gth n LEU 55 Cb 0.41 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.46 1gth n LEU 55 CO 0.60 0.43 1.28 1.21 -1.33 0.00 0.00 177.39 179.59 1gth n GLU 56 N -0.41 2.20 -1.72 3.23 2.13 -1.24 -0.86 120.64 123.97 1gth n GLU 56 Ca 0.00 0.80 -0.19 0.00 0.66 0.00 0.00 57.16 58.42 1gth n GLU 56 Cb 0.25 -2.59 -0.07 0.00 0.27 0.00 0.00 31.44 29.30 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 4.30 -5.15 -4.34 4.31 5.15 0.11 -4.59 115.26 115.04 1gth n ASN 57 Ca 0.18 0.39 -0.45 0.00 -0.60 0.00 0.00 54.58 54.11 1gth n ASN 57 Cb 0.29 -4.53 -0.07 0.00 -0.53 0.00 0.00 39.78 34.95 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 -2.52 6.13 -0.30 1.20 3.84 -0.04 -4.91 114.94 118.35 1gth s ASN 58 Ca 0.00 -1.56 0.10 0.00 0.21 0.00 0.00 52.86 51.61 1gth s ASN 58 Cb 0.00 -2.18 0.55 0.00 -0.55 0.00 0.00 41.25 39.07 1gth s ASN 58 CO 0.00 -0.74 1.54 0.49 -2.79 0.00 0.00 177.10 175.61 1gth n PHE 59 N 5.20 1.42 -2.21 0.43 3.01 -1.26 -4.92 117.46 119.14 1gth n PHE 59 Ca -0.13 -1.48 -0.36 0.00 1.01 0.00 0.00 57.45 56.49 1gth n PHE 59 Cb 0.42 -0.54 0.00 0.00 -0.01 0.00 0.00 39.48 39.36 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 -2.17 5.78 -0.10 4.37 1.01 -1.26 -3.86 116.67 120.43 1gth s ASP 60 Ca 0.47 2.27 -0.35 0.00 0.71 0.00 0.00 52.55 55.64 1gth s ASP 60 Cb 0.41 -2.59 -0.12 0.00 1.01 0.00 0.00 42.92 41.62 1gth s ASP 60 CO 0.04 -1.19 1.84 -0.67 0.21 0.00 0.00 175.17 175.41 1gth n ASP 61 N -1.07 3.26 -0.69 0.27 2.03 -1.26 -4.70 116.55 114.40 1gth n ASP 61 Ca 0.10 0.99 0.07 0.00 0.52 0.00 0.00 54.79 56.47 1gth n ASP 61 Cb 0.50 -1.34 0.14 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 4.96 0.68 -2.07 5.18 -5.35 -0.85 -5.01 119.36 116.90 1gth n ILE 62 Ca 0.23 -0.84 -0.42 0.00 -0.27 0.00 0.00 62.75 61.45 1gth n ILE 62 Cb 0.27 0.75 -0.03 0.00 -1.74 0.00 0.00 39.64 38.89 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 -1.03 4.28 0.19 6.28 1.02 -1.26 -4.89 119.74 124.33 1gth s LYS 63 Ca 0.24 2.20 0.26 0.00 0.02 0.00 0.00 55.97 58.69 1gth s LYS 63 Cb 0.13 -3.19 0.87 0.00 -0.52 0.00 0.00 37.83 35.12 1gth s LYS 63 CO 0.18 -0.47 1.78 0.72 -0.92 0.00 0.00 175.35 176.64 1gth n HIS 64 N 3.58 0.82 1.24 3.18 8.25 -1.26 -3.59 115.22 127.44 1gth n HIS 64 Ca 0.11 0.25 0.13 0.00 -0.26 0.00 0.00 57.72 57.95 1gth n HIS 64 Cb 0.41 -0.91 0.35 0.00 1.12 0.00 0.00 29.99 30.96 1gth n HIS 64 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1gth n THR 65 N -2.18 0.00 -1.88 1.59 -2.24 -1.26 -4.93 114.28 103.37 1gth n THR 65 Ca 0.05 -0.16 -0.41 0.00 -2.27 0.00 0.00 64.05 61.26 1gth n THR 65 Cb 0.40 0.50 -0.02 0.00 -2.10 0.00 0.00 70.33 69.11 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 -2.44 2.33 0.10 4.28 2.01 -1.24 -3.95 115.64 116.73 1gth s THR 66 Ca 0.25 0.28 0.08 0.00 0.31 0.00 0.00 61.69 62.61 1gth s THR 66 Cb 0.19 -3.18 -0.03 0.00 0.01 0.00 0.00 72.50 69.49 1gth s THR 66 CO 0.50 0.05 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.50 1gth s LEU 67 N -0.49 2.28 0.58 4.42 1.43 -1.26 -4.82 118.68 120.82 1gth s LEU 67 Ca 0.61 -0.67 0.09 0.00 -1.03 0.00 0.00 54.13 53.13 1gth s LEU 67 Cb -0.45 -0.93 0.09 0.00 0.03 0.00 0.00 46.19 44.92 1gth s LEU 67 CO 0.46 0.08 0.75 -0.83 0.23 0.00 0.00 176.35 177.05 1gth s GLY 68 N -1.83 1.80 0.12 -3.19 0.00 -1.26 -4.78 107.32 98.18 1gth s GLY 68 Ca 0.07 -2.05 -0.19 0.00 0.00 0.00 0.00 44.72 42.55 1gth s GLY 68 CO 0.04 -1.73 1.72 -2.09 0.00 0.00 0.00 173.10 171.03 1gth h GLU 69 N 0.22 0.36 -0.19 2.90 4.81 -1.99 -0.45 114.58 120.24 1gth h GLU 69 Ca -0.30 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 58.94 1gth h GLU 69 Cb 1.29 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 30.54 1gth h GLU 69 CO 0.43 0.32 -0.26 -0.09 -0.73 0.00 0.00 179.01 178.68 1gth h ARG 70 N 0.30 -0.28 -0.31 1.92 2.43 -1.97 -0.03 114.38 116.44 1gth h ARG 70 Ca 0.09 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.21 1gth h ARG 70 Cb 0.07 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 1gth h ARG 70 CO -0.01 -0.19 -0.08 0.78 -1.51 0.00 0.00 179.97 178.95 1gth h GLY 71 N -0.29 0.56 0.93 2.80 0.00 -1.92 -2.72 103.07 102.42 1gth h GLY 71 Ca 0.12 -0.37 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 1gth h GLY 71 CO -0.36 0.34 -0.10 0.00 0.00 0.00 0.00 176.54 176.42 1gth h ALA 72 N 1.43 0.46 -0.86 3.60 0.00 -0.40 -2.05 119.26 121.44 1gth h ALA 72 Ca 0.09 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1gth h ALA 72 Cb 0.45 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1gth h ALA 72 CO 0.02 0.32 0.54 -0.07 0.00 0.00 0.00 179.25 180.06 1gth h LEU 73 N 0.44 1.01 -0.19 0.00 3.38 -0.90 0.11 115.31 119.16 1gth h LEU 73 Ca 0.08 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1gth h LEU 73 Cb 0.61 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1gth h LEU 73 CO 0.04 0.76 0.00 0.03 0.09 0.00 0.00 178.44 179.36 1gth h ARG 74 N 1.17 0.33 -0.30 1.13 3.08 -1.38 -1.12 114.38 117.29 1gth h ARG 74 Ca 0.31 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 60.16 1gth h ARG 74 Cb -0.08 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1gth h ARG 74 CO -0.06 0.53 -0.22 1.49 -1.07 0.00 0.00 179.97 180.64 1gth h GLU 75 N 0.09 0.56 -0.39 0.04 4.57 -1.18 -1.96 114.58 116.32 1gth h GLU 75 Ca 0.05 -0.21 -0.13 0.00 -1.18 0.00 0.00 59.36 57.89 1gth h GLU 75 Cb 0.38 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 1gth h GLU 75 CO 0.01 0.75 -0.29 0.00 -1.18 0.00 0.00 179.01 178.29 1gth h ALA 76 N 1.26 0.74 -0.13 2.92 0.00 -0.70 -2.63 119.26 120.73 1gth h ALA 76 Ca 0.08 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1gth h ALA 76 Cb 0.66 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1gth h ALA 76 CO 0.05 0.66 -0.25 0.52 0.00 0.00 0.00 179.25 180.23 1gth h MET 77 N 0.72 0.23 -0.03 0.00 2.86 -0.98 -2.92 114.93 114.80 1gth h MET 77 Ca 0.08 -0.07 -0.12 0.00 -2.06 0.00 0.00 59.70 57.53 1gth h MET 77 Cb 0.84 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 1gth h MET 77 CO 0.07 0.47 -0.52 -0.09 1.06 0.00 0.00 176.91 177.91 1gth h ARG 78 N 0.21 0.09 -6.54 1.72 2.43 -1.04 -3.45 114.38 107.80 1gth h ARG 78 Ca 0.03 -0.05 -0.58 0.00 -0.81 0.00 0.00 59.98 58.57 1gth h ARG 78 Cb 0.55 0.00 0.07 0.00 -0.42 0.00 0.00 29.97 30.17 1gth h ARG 78 CO 0.04 0.59 0.73 0.00 -1.51 0.00 0.00 179.97 179.82 1gth h LEU 80 N 5.29 0.00 -2.23 0.00 3.38 -1.89 -3.45 115.31 116.42 1gth h LEU 80 Ca -0.45 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.15 1gth h LEU 80 Cb 1.26 0.00 0.11 0.00 0.09 0.00 0.00 40.66 42.12 1gth h LEU 80 CO 0.84 0.00 -0.85 0.29 0.09 0.00 0.00 178.44 178.80 1gth n LYS 81 N -2.70 -3.70 -1.22 1.13 5.02 -1.26 -4.84 118.16 110.60 1gth n LYS 81 Ca 0.02 0.66 -0.34 0.00 -2.02 0.00 0.00 58.31 56.64 1gth n LYS 81 Cb 0.32 -5.17 0.12 0.00 -0.02 0.00 0.00 35.03 30.28 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 -2.11 3.43 -1.66 0.00 0.00 -1.26 -3.70 121.76 116.46 1gth s ALA 83 Ca 0.73 0.36 -0.16 0.00 0.00 0.00 0.00 51.96 52.89 1gth s ALA 83 Cb -0.29 -2.97 0.14 0.00 0.00 0.00 0.00 23.12 20.00 1gth s ALA 83 CO 0.49 0.29 0.77 -3.47 0.00 0.00 0.00 175.76 173.84 1gth n ASP 84 N 1.44 -3.19 -4.56 0.00 2.03 -1.26 -4.71 116.55 106.30 1gth n ASP 84 Ca -0.05 -0.99 -0.57 0.00 0.52 0.00 0.00 54.79 53.70 1gth n ASP 84 Cb 0.49 -2.91 -0.07 0.00 -0.72 0.00 0.00 41.12 37.91 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 -4.42 -2.39 0.22 -1.67 0.00 -1.24 -4.88 120.51 106.12 1gth n ALA 85 Ca 0.03 0.55 0.08 0.00 0.00 0.00 0.00 53.44 54.11 1gth n ALA 85 Cb 0.51 -1.90 0.47 0.00 0.00 0.00 0.00 19.45 18.53 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 3.91 0.00 -0.39 0.00 0.13 -1.84 -2.71 132.00 131.09 1gth h PRO 86 Ca -0.49 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 1gth h PRO 86 Cb 1.39 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.50 1gth h PRO 86 CO 0.74 0.27 0.07 0.00 -0.23 0.00 0.00 178.00 178.85 1gth h GLN 88 N 0.50 0.91 0.00 0.00 4.15 -1.74 -1.88 115.11 117.05 1gth h GLN 88 Ca 0.12 -0.23 -0.07 0.00 0.77 0.00 0.00 58.65 59.24 1gth h GLN 88 Cb 0.35 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 1gth h GLN 88 CO 0.01 0.86 -0.33 0.87 -1.93 0.00 0.00 178.83 178.31 1gth h LYS 89 N 0.86 0.00 -0.19 1.69 1.57 -1.21 -2.30 116.57 117.00 1gth h LYS 89 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1gth h LYS 89 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1gth h LYS 89 CO 0.01 0.33 0.00 0.43 -0.57 0.00 0.00 179.45 179.65 1gth n SER 90 N -3.94 1.61 -4.59 0.86 7.64 -0.22 -4.80 113.62 110.17 1gth n SER 90 Ca -0.02 -1.75 -0.37 0.00 1.01 0.00 0.00 58.87 57.75 1gth n SER 90 Cb 0.39 -0.12 -0.11 0.00 -1.01 0.00 0.00 64.21 63.36 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 -0.43 0.00 0.11 -1.87 -0.21 132.00 137.60 1gth h PRO 92 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 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 0.59 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.63 1gth n THR 93 N -4.13 0.60 -3.80 -1.15 -2.24 -1.26 -4.82 114.28 97.47 1gth n THR 93 Ca 0.07 -0.80 -0.27 0.00 -2.27 0.00 0.00 64.05 60.78 1gth n THR 93 Cb 0.53 0.89 0.04 0.00 -2.10 0.00 0.00 70.33 69.70 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 1.44 -2.38 -1.90 4.78 -0.00 -0.09 -4.79 115.22 112.28 1gth n HIS 94 Ca 0.19 0.92 -0.41 0.00 0.46 0.00 0.00 57.72 58.89 1gth n HIS 94 Cb 0.59 -4.32 -0.00 0.00 -0.12 0.00 0.00 29.99 26.13 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 -7.17 4.32 -1.32 0.27 1.43 -1.26 -4.86 118.68 110.08 1gth s LEU 95 Ca 0.53 2.92 -0.17 0.00 -1.03 0.00 0.00 54.13 56.38 1gth s LEU 95 Cb -0.26 -3.71 0.07 0.00 0.03 0.00 0.00 46.19 42.33 1gth s LEU 95 CO 0.80 -0.82 1.82 -0.67 0.23 0.00 0.00 176.35 177.71 1gth n ASP 96 N 0.45 4.75 -0.24 2.29 4.64 -1.26 -4.55 116.55 122.64 1gth n ASP 96 Ca 0.01 -2.91 -0.01 0.00 -1.38 0.00 0.00 54.79 50.50 1gth n ASP 96 Cb 0.40 -1.71 0.11 0.00 -1.04 0.00 0.00 41.12 38.88 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 5.14 0.93 -0.44 5.18 2.04 -1.96 -2.21 117.51 126.19 1gth h ILE 97 Ca 0.46 -0.22 0.09 0.00 1.00 0.00 0.00 64.86 66.18 1gth h ILE 97 Cb 0.82 0.21 -0.08 0.00 -0.74 0.00 0.00 36.82 37.03 1gth h ILE 97 CO 1.53 0.12 -0.10 0.50 0.00 0.00 0.00 178.15 180.20 1gth h LYS 98 N 0.66 0.01 -0.15 2.37 3.64 -1.89 -0.76 116.57 120.45 1gth h LYS 98 Ca 0.32 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.67 1gth h LYS 98 Cb 0.25 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1gth h LYS 98 CO -0.21 0.00 -0.03 0.77 -2.27 0.00 0.00 179.45 177.72 1gth h SER 99 N 0.01 0.27 0.06 4.20 0.02 -1.84 -1.60 113.55 114.68 1gth h SER 99 Ca 0.21 -0.36 -0.11 0.00 -0.84 0.00 0.00 61.79 60.70 1gth h SER 99 Cb 0.32 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1gth h SER 99 CO -0.45 0.57 -0.35 2.19 -1.14 0.00 0.00 176.83 177.65 1gth h PHE 100 N -0.02 0.46 -0.15 3.45 -5.15 -1.25 -0.84 116.94 113.45 1gth h PHE 100 Ca 0.04 -0.12 -0.16 0.00 -0.20 0.00 0.00 57.97 57.53 1gth h PHE 100 Cb 0.44 -0.11 -0.01 0.00 0.22 0.00 0.00 35.95 36.50 1gth h PHE 100 CO 0.05 0.70 -0.58 0.82 -2.00 0.00 0.00 178.31 177.30 1gth h ILE 101 N 0.34 1.34 -0.39 0.88 2.04 -1.16 -1.41 117.51 119.15 1gth h ILE 101 Ca 0.04 -1.86 -0.01 0.00 1.00 0.00 0.00 64.86 64.03 1gth h ILE 101 Cb 0.78 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.69 1gth h ILE 101 CO 0.06 0.57 0.21 0.74 0.00 0.00 0.00 178.15 179.73 1gth h THR 102 N 0.36 1.15 -1.01 -0.27 2.02 -0.92 -1.00 112.91 113.25 1gth h THR 102 Ca 0.00 -0.40 0.04 0.00 0.77 0.00 0.00 66.41 66.82 1gth h THR 102 Cb 1.12 0.71 -0.06 0.00 -1.74 0.00 0.00 68.15 68.18 1gth h THR 102 CO 0.10 0.16 0.66 0.28 0.37 0.00 0.00 175.52 177.09 1gth h SER 103 N 0.50 1.10 -0.28 4.18 0.02 -0.91 -1.68 113.55 116.48 1gth h SER 103 Ca 0.14 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1gth h SER 103 Cb 0.07 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 1gth h SER 103 CO -0.02 0.74 0.09 0.40 -1.14 0.00 0.00 176.83 176.90 1gth h ILE 104 N 1.27 1.20 0.00 3.27 2.04 -0.76 0.34 117.51 124.86 1gth h ILE 104 Ca 0.41 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1gth h ILE 104 Cb 0.02 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1gth h ILE 104 CO -0.13 0.21 -0.03 0.77 0.00 0.00 0.00 178.15 178.97 1gth h SER 105 N 0.29 0.00 -0.56 1.72 4.64 -0.60 0.15 113.55 119.19 1gth h SER 105 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1gth h SER 105 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1gth h SER 105 CO -0.00 0.03 0.00 0.59 -0.87 0.00 0.00 176.83 176.57 1gth n ASN 106 N -3.56 3.16 -1.01 4.97 3.02 -0.69 -4.92 115.26 116.24 1gth n ASN 106 Ca -0.03 -2.05 -0.13 0.00 -0.03 0.00 0.00 54.58 52.34 1gth n ASN 106 Cb 0.12 -0.40 -0.06 0.00 -0.61 0.00 0.00 39.78 38.84 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 1.11 -1.08 -3.24 3.52 5.02 0.54 -4.67 118.16 119.35 1gth n LYS 107 Ca 0.19 0.95 -0.44 0.00 -2.02 0.00 0.00 58.31 56.98 1gth n LYS 107 Cb 0.52 -5.07 0.00 0.00 -0.02 0.00 0.00 35.03 30.46 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 -0.45 5.79 0.11 4.39 5.15 0.11 -4.70 115.26 125.67 1gth n ASN 108 Ca -0.13 -3.15 -0.00 0.00 -0.60 0.00 0.00 54.58 50.70 1gth n ASN 108 Cb 0.47 -1.35 0.28 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 6.29 0.24 0.22 1.20 0.99 -1.90 -2.19 116.97 121.82 1gth h TYR 109 Ca 0.19 -0.05 -0.01 0.00 2.00 0.00 0.00 58.73 60.85 1gth h TYR 109 Cb 0.80 -0.06 0.00 0.00 1.00 0.00 0.00 36.73 38.47 1gth h TYR 109 CO 0.83 0.53 -0.10 -0.92 -0.00 0.00 0.00 178.16 178.49 1gth h TYR 110 N 0.18 -0.27 -0.94 4.88 3.20 -1.89 -0.42 116.97 121.72 1gth h TYR 110 Ca 0.02 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.97 1gth h TYR 110 Cb 0.69 0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.99 1gth h TYR 110 CO 0.01 -0.10 0.61 0.78 -1.64 0.00 0.00 178.16 177.81 1gth h GLY 111 N -0.37 1.40 0.86 1.82 0.00 -1.80 0.25 103.07 105.23 1gth h GLY 111 Ca -0.03 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 1gth h GLY 111 CO 0.05 0.27 0.05 0.00 0.00 0.00 0.00 176.54 176.91 1gth h ALA 112 N 1.51 0.24 -0.59 3.60 0.00 -1.12 -1.80 119.26 121.09 1gth h ALA 112 Ca 0.42 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 1gth h ALA 112 Cb 0.28 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1gth h ALA 112 CO -0.17 -0.14 0.23 0.00 0.00 0.00 0.00 179.25 179.16 1gth h ALA 113 N 0.87 0.77 -0.46 0.00 0.00 -0.21 -1.21 119.26 119.02 1gth h ALA 113 Ca 0.06 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1gth h ALA 113 Cb 0.24 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1gth h ALA 113 CO -0.00 0.40 0.30 -0.22 0.00 0.00 0.00 179.25 179.73 1gth h LYS 114 N 0.83 0.59 -0.58 0.00 3.64 -0.45 -0.31 116.57 120.30 1gth h LYS 114 Ca 0.20 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1gth h LYS 114 Cb 0.22 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 1gth h LYS 114 CO -0.01 0.39 0.30 1.98 -2.27 0.00 0.00 179.45 179.83 1gth h MET 115 N 0.61 0.82 0.50 1.90 4.05 -1.07 -0.75 114.93 120.99 1gth h MET 115 Ca 0.17 -0.11 -0.02 0.00 -0.28 0.00 0.00 59.70 59.46 1gth h MET 115 Cb -0.05 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 30.60 1gth h MET 115 CO -0.05 0.65 -0.24 0.82 0.23 0.00 0.00 176.91 178.32 1gth h ILE 116 N 0.78 0.51 0.00 1.77 2.04 -0.81 -3.02 117.51 118.77 1gth h ILE 116 Ca 0.20 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 1gth h ILE 116 Cb 0.08 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1gth h ILE 116 CO -0.03 0.01 -0.05 -0.26 0.00 0.00 0.00 178.15 177.83 1gth h PHE 117 N -0.71 0.00 -0.66 1.37 -1.00 -1.01 -0.61 116.94 114.33 1gth h PHE 117 Ca -0.07 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.71 1gth h PHE 117 Cb 0.53 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.06 1gth h PHE 117 CO -0.03 0.05 0.40 0.77 -1.61 0.00 0.00 178.31 177.89 1gth h SER 118 N 0.00 0.77 0.00 2.17 0.02 -1.00 -3.09 113.55 112.42 1gth h SER 118 Ca -0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1gth h SER 118 Cb 0.42 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1gth h SER 118 CO 0.01 0.59 -1.19 0.47 -1.14 0.00 0.00 176.83 175.56 1gth n ASP 119 N -4.41 1.05 -3.53 3.07 8.00 -1.04 -4.50 116.55 115.20 1gth n ASP 119 Ca 0.07 -0.45 -0.26 0.00 0.71 0.00 0.00 54.79 54.86 1gth n ASP 119 Cb 0.06 1.34 -0.14 0.00 -0.02 0.00 0.00 41.12 42.36 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 -3.09 2.90 0.51 -2.24 3.84 -0.26 -4.87 114.94 111.73 1gth s ASN 120 Ca 0.00 -1.01 0.34 0.00 0.21 0.00 0.00 52.86 52.41 1gth s ASN 120 Cb 0.11 -0.16 1.82 0.00 -0.55 0.00 0.00 41.25 42.47 1gth s ASN 120 CO 0.64 -0.41 2.05 -0.65 -2.79 0.00 0.00 177.10 175.94 1gth h PRO 121 N 8.38 0.00 -1.39 0.43 0.11 -1.84 -2.03 132.00 135.67 1gth h PRO 121 Ca -0.18 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.31 1gth h PRO 121 Cb 1.06 0.00 -0.38 0.00 0.11 0.00 0.00 31.00 31.78 1gth h PRO 121 CO 0.39 0.00 -0.25 1.28 -0.21 0.00 0.00 178.00 179.21 1gth n LEU 122 N -2.74 5.60 -0.25 2.35 4.32 -1.26 -4.86 117.00 120.16 1gth n LEU 122 Ca -0.02 -4.95 0.02 0.00 -0.02 0.00 0.00 56.01 51.04 1gth n LEU 122 Cb 0.08 -0.60 0.14 0.00 -1.62 0.00 0.00 43.42 41.42 1gth n LEU 122 CO 0.17 2.04 1.07 1.23 -1.22 0.00 0.00 177.39 180.68 1gth h GLY 123 N 2.51 1.09 0.82 -0.72 0.00 -1.69 -1.59 103.07 103.49 1gth h GLY 123 Ca 0.40 -0.23 -0.09 0.00 0.00 0.00 0.00 47.33 47.41 1gth h GLY 123 CO 1.02 0.06 -0.23 -2.00 0.00 0.00 0.00 176.54 175.39 1gth h LEU 124 N 0.62 0.51 -0.19 3.11 5.85 -1.88 -1.57 115.31 121.76 1gth h LEU 124 Ca 0.35 -0.51 0.03 0.00 0.84 0.00 0.00 57.88 58.59 1gth h LEU 124 Cb 0.37 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1gth h LEU 124 CO -0.27 0.92 0.03 0.74 -0.34 0.00 0.00 178.44 179.52 1gth h THR 125 N 0.12 0.90 -0.52 1.05 2.02 -1.85 -2.23 112.91 112.40 1gth h THR 125 Ca 0.02 -0.03 -0.06 0.00 0.77 0.00 0.00 66.41 67.11 1gth h THR 125 Cb 0.80 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 1gth h THR 125 CO 0.05 0.02 0.10 0.00 0.37 0.00 0.00 175.52 176.06 1gth h GLY 127 N 0.96 1.39 1.57 0.00 0.00 -0.84 0.22 103.07 106.37 1gth h GLY 127 Ca 0.17 -0.44 -0.28 0.00 0.00 0.00 0.00 47.33 46.78 1gth h GLY 127 CO 0.00 0.33 -1.25 -0.33 0.00 0.00 0.00 176.54 175.29 1gth h MET 128 N 1.10 0.33 0.00 4.80 2.86 -0.83 -3.38 114.93 119.81 1gth h MET 128 Ca 0.40 -0.53 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1gth h MET 128 Cb 0.16 0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1gth h MET 128 CO -0.15 1.25 -0.52 1.33 1.06 0.00 0.00 176.91 179.87 1gth n VAL 129 N -3.58 0.00 -1.70 -2.22 0.24 -0.09 -4.96 118.33 106.01 1gth n VAL 129 Ca -0.10 -0.27 -0.43 0.00 -2.04 0.00 0.00 64.34 61.50 1gth n VAL 129 Cb 1.02 0.95 -0.02 0.00 -1.47 0.00 0.00 33.84 34.32 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 2.16 3.21 -0.36 0.00 -0.04 -1.26 -4.80 135.00 133.92 1gth n PRO 131 Ca 0.10 -2.82 0.27 0.00 -0.04 0.00 0.00 63.50 61.02 1gth n PRO 131 Cb 0.34 -3.12 0.55 0.00 -0.04 0.00 0.00 33.50 31.23 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 3.76 0.38 -0.02 0.52 1.35 -1.94 0.30 112.91 117.25 1gth h THR 132 Ca 0.57 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 66.33 1gth h THR 132 Cb 0.58 0.06 -0.00 0.00 -1.73 0.00 0.00 68.15 67.06 1gth h THR 132 CO 1.80 0.05 0.04 0.77 -0.25 0.00 0.00 175.52 177.93 1gth h SER 133 N 0.30 0.00 -0.19 5.36 4.64 -1.91 0.10 113.55 121.84 1gth h SER 133 Ca 0.68 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.00 1gth h SER 133 Cb 1.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.93 1gth h SER 133 CO -0.37 0.00 0.00 -0.67 -0.87 0.00 0.00 176.83 174.92 1gth n ASP 134 N -3.39 2.77 0.00 4.97 2.03 0.08 -3.80 116.55 119.21 1gth n ASP 134 Ca -0.03 -1.81 0.00 0.00 0.52 0.00 0.00 54.79 53.47 1gth n ASP 134 Cb 0.12 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 1.01 0.00 -0.04 -2.67 4.77 0.30 -4.90 117.00 115.46 1gth n LEU 135 Ca 0.13 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.02 1gth n LEU 135 Cb 0.46 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 1gth n LEU 135 CO 0.11 0.00 0.66 0.00 -1.33 0.00 0.00 177.39 176.83 1gth h VAL 137 N -0.32 0.92 0.00 0.00 2.07 -1.74 -1.78 116.25 115.40 1gth h VAL 137 Ca 0.13 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1gth h VAL 137 Cb 0.52 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1gth h VAL 137 CO -0.41 0.04 0.00 1.23 0.02 0.00 0.00 177.57 178.45 1gth h GLY 138 N 0.13 0.00 -1.19 2.17 0.00 -0.90 -2.45 103.07 100.82 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 -0.66 2.07 3.71 4.60 0.00 -0.68 -5.02 105.19 109.20 1gth n GLY 139 Ca -0.01 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 7.44 0.02 0.10 0.00 2.35 -1.94 -2.07 115.58 121.48 1gth h ASN 141 Ca -0.42 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 1gth h ASN 141 Cb 1.20 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.57 1gth h ASN 141 CO 0.92 0.01 0.00 0.18 -1.65 0.00 0.00 177.43 176.89 1gth n LEU 142 N -4.53 0.00 0.26 1.61 4.77 -1.26 -1.24 117.00 116.62 1gth n LEU 142 Ca -0.02 0.12 0.13 0.00 -0.03 0.00 0.00 56.01 56.21 1gth n LEU 142 Cb 0.13 -0.12 0.68 0.00 -2.33 0.00 0.00 43.42 41.77 1gth n LEU 142 CO 0.34 -0.07 0.94 0.22 -1.33 0.00 0.00 177.39 177.49 1gth h TYR 143 N 0.00 0.00 0.00 -1.77 3.20 -1.58 -1.80 116.97 115.02 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 0.05 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.32 1gth h TYR 143 CO 0.00 0.13 0.00 0.00 -1.64 0.00 0.00 178.16 176.65 1gth n ALA 144 N -2.23 2.40 -2.39 1.82 0.00 -0.37 -4.77 120.51 114.98 1gth n ALA 144 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.23 1gth n ALA 144 Cb 0.29 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.64 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 -1.58 1.85 0.31 0.00 -4.23 -0.68 -5.05 115.64 106.26 1gth s THR 145 Ca 0.00 -2.18 0.01 0.00 -1.18 0.00 0.00 61.69 58.34 1gth s THR 145 Cb 0.00 -2.04 0.18 0.00 1.34 0.00 0.00 72.50 71.98 1gth s THR 145 CO 0.00 -0.51 1.88 -0.33 -0.54 0.00 0.00 174.62 175.11 1gth h GLU 146 N 2.66 0.78 0.00 3.99 3.07 -1.86 -2.06 114.58 121.16 1gth h GLU 146 Ca -0.39 -0.13 0.00 0.00 -0.50 0.00 0.00 59.36 58.34 1gth h GLU 146 Cb 1.22 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 29.00 1gth h GLU 146 CO 0.59 0.67 0.00 1.05 -1.40 0.00 0.00 179.01 179.92 1gth h GLU 147 N 0.76 0.00 0.00 2.33 9.09 -1.95 -3.49 114.58 121.32 1gth h GLU 147 Ca 0.18 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.59 1gth h GLU 147 Cb 0.21 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.31 1gth h GLU 147 CO -0.01 0.00 0.00 0.41 0.05 0.00 0.00 179.01 179.46 1gth n GLY 148 N -0.01 -2.99 3.72 1.06 0.00 -0.78 -5.00 105.19 101.19 1gth n GLY 148 Ca 0.00 -1.74 -0.33 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.36 3.93 0.28 1.61 0.01 -1.21 -4.40 113.70 112.55 1gth s SER 149 Ca 0.00 2.22 -0.29 0.00 1.31 0.00 0.00 55.95 59.19 1gth s SER 149 Cb 0.00 -2.57 -0.09 0.00 0.21 0.00 0.00 66.02 63.56 1gth s SER 149 CO 0.00 -2.44 1.03 -0.63 0.41 0.00 0.00 173.24 171.61 1gth s ILE 150 N -2.31 3.76 -1.38 1.44 -1.09 -1.26 -4.94 121.20 115.41 1gth s ILE 150 Ca 0.70 1.72 -0.16 0.00 -2.23 0.00 0.00 60.65 60.68 1gth s ILE 150 Cb -0.25 -4.08 0.05 0.00 -1.58 0.00 0.00 42.46 36.60 1gth s ILE 150 CO 0.50 0.37 2.00 -3.20 -1.23 0.00 0.00 174.94 173.39 1gth n ASN 151 N 1.17 4.35 -0.26 3.58 5.15 -1.26 -4.77 115.26 123.21 1gth n ASN 151 Ca -0.01 -2.87 -0.05 0.00 -0.60 0.00 0.00 54.58 51.05 1gth n ASN 151 Cb 0.46 -1.70 0.06 0.00 -0.53 0.00 0.00 39.78 38.07 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 4.73 1.19 -0.31 -1.44 2.04 -1.98 -2.46 117.51 119.28 1gth h ILE 152 Ca 0.51 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 66.00 1gth h ILE 152 Cb 0.75 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1gth h ILE 152 CO 1.69 0.19 0.14 1.23 0.00 0.00 0.00 178.15 181.40 1gth h GLY 153 N 0.99 0.49 1.17 5.37 0.00 -1.86 -0.96 103.07 108.27 1gth h GLY 153 Ca 0.27 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1gth h GLY 153 CO -0.06 0.24 0.53 -1.33 0.00 0.00 0.00 176.54 175.92 1gth h GLY 154 N 0.36 1.18 1.24 4.60 0.00 -1.65 0.12 103.07 108.91 1gth h GLY 154 Ca 0.11 -0.46 -0.14 0.00 0.00 0.00 0.00 47.33 46.84 1gth h GLY 154 CO -0.01 0.45 -0.31 1.41 0.00 0.00 0.00 176.54 178.08 1gth h LEU 155 N 1.13 0.89 -0.80 3.11 3.38 -1.21 -0.38 115.31 121.44 1gth h LEU 155 Ca 0.30 -0.37 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1gth h LEU 155 Cb -0.10 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.38 1gth h LEU 155 CO -0.06 1.13 0.06 -0.61 0.09 0.00 0.00 178.44 179.04 1gth h GLN 156 N 0.72 0.97 -0.19 1.13 4.15 -0.49 -2.16 115.11 119.24 1gth h GLN 156 Ca 0.08 -0.26 -0.02 0.00 0.77 0.00 0.00 58.65 59.22 1gth h GLN 156 Cb 0.87 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.43 1gth h GLN 156 CO 0.08 0.92 0.05 0.37 -1.93 0.00 0.00 178.83 178.32 1gth h GLN 157 N 0.90 0.30 0.28 1.69 4.15 -0.51 -2.22 115.11 119.70 1gth h GLN 157 Ca 0.18 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.52 1gth h GLN 157 Cb 0.45 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.10 1gth h GLN 157 CO 0.02 0.41 -0.14 0.35 -1.93 0.00 0.00 178.83 177.54 1gth h PHE 158 N 0.13 -0.37 -0.59 3.99 3.57 -0.86 0.14 116.94 122.94 1gth h PHE 158 Ca 0.06 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.59 1gth h PHE 158 Cb 0.24 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 1gth h PHE 158 CO 0.00 -0.23 0.34 0.00 -2.23 0.00 0.00 178.31 176.20 1gth h ALA 159 N 0.33 0.78 -0.46 2.41 0.00 -1.43 -1.55 119.26 119.34 1gth h ALA 159 Ca -0.04 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1gth h ALA 159 Cb 0.31 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1gth h ALA 159 CO 0.06 0.05 -0.02 0.77 0.00 0.00 0.00 179.25 180.11 1gth h SER 160 N 0.66 0.73 -0.32 0.00 0.02 -1.21 -1.63 113.55 111.80 1gth h SER 160 Ca 0.25 -0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1gth h SER 160 Cb 0.08 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 1gth h SER 160 CO -0.13 0.81 0.09 -0.33 -1.14 0.00 0.00 176.83 176.13 1gth h GLU 161 N 0.71 0.50 -0.54 3.45 4.39 -0.16 -0.24 114.58 122.68 1gth h GLU 161 Ca 0.14 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 1gth h GLU 161 Cb 0.46 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 1gth h GLU 161 CO 0.02 0.55 0.26 0.28 -1.16 0.00 0.00 179.01 178.96 1gth h VAL 162 N 0.36 1.20 -0.48 3.13 2.07 -1.12 -0.70 116.25 120.71 1gth h VAL 162 Ca 0.10 -0.57 0.02 0.00 0.82 0.00 0.00 66.70 67.08 1gth h VAL 162 Cb 0.26 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1gth h VAL 162 CO -0.00 0.23 0.28 0.15 0.02 0.00 0.00 177.57 178.24 1gth h PHE 163 N 0.73 0.52 -0.89 1.57 3.57 -1.10 -1.17 116.94 120.18 1gth h PHE 163 Ca 0.19 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.78 1gth h PHE 163 Cb 0.12 -0.17 -0.07 0.00 2.79 0.00 0.00 35.95 38.62 1gth h PHE 163 CO -0.00 0.30 0.55 -0.22 -2.23 0.00 0.00 178.31 176.70 1gth h LYS 164 N 0.56 0.93 0.00 1.11 3.64 -0.56 -0.03 116.57 122.22 1gth h LYS 164 Ca 0.19 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1gth h LYS 164 Cb 0.02 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.63 1gth h LYS 164 CO -0.09 0.62 -0.07 0.00 -2.27 0.00 0.00 179.45 177.64 1gth h ALA 165 N 1.44 1.04 0.00 5.00 0.00 -0.18 -2.28 119.26 124.28 1gth h ALA 165 Ca 0.40 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 1gth h ALA 165 Cb 0.25 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1gth h ALA 165 CO -0.20 0.09 -0.00 0.52 0.00 0.00 0.00 179.25 179.65 1gth h MET 166 N 0.00 0.00 -6.16 0.00 2.86 0.17 -3.47 114.93 108.32 1gth h MET 166 Ca -0.00 0.00 -0.42 0.00 -2.06 0.00 0.00 59.70 57.21 1gth h MET 166 Cb 0.51 0.00 0.06 0.00 0.06 0.00 0.00 31.60 32.23 1gth h MET 166 CO 0.01 0.00 -0.88 0.09 1.06 0.00 0.00 176.91 177.19 1gth n ASN 167 N -3.10 -2.80 -4.55 1.22 3.02 -0.86 -4.66 115.26 103.54 1gth n ASN 167 Ca 0.01 -0.91 -0.34 0.00 -0.03 0.00 0.00 54.58 53.31 1gth n ASN 167 Cb 0.34 -3.73 -0.11 0.00 -0.61 0.00 0.00 39.78 35.67 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 -3.64 4.11 0.59 2.41 1.01 -1.26 -1.65 121.20 122.77 1gth s ILE 168 Ca 0.19 -0.29 -0.07 0.00 0.00 0.00 0.00 60.65 60.49 1gth s ILE 168 Cb -0.06 -2.80 -0.00 0.00 0.01 0.00 0.00 42.46 39.61 1gth s ILE 168 CO 0.84 0.50 0.92 -2.16 0.00 0.00 0.00 174.94 175.04 1gth s PRO 169 N 0.18 3.06 0.24 2.79 0.04 -1.26 -5.03 135.00 135.02 1gth s PRO 169 Ca -0.00 0.15 -0.12 0.00 0.04 0.00 0.00 61.00 61.07 1gth s PRO 169 Cb -0.13 -2.24 -0.08 0.00 0.04 0.00 0.00 34.50 32.09 1gth s PRO 169 CO 0.02 -0.66 0.59 -1.14 0.04 0.00 0.00 177.00 175.85 1gth s GLN 170 N -5.02 3.88 0.18 4.56 0.74 -1.26 -4.17 119.66 118.56 1gth s GLN 170 Ca 0.54 0.40 0.03 0.00 0.05 0.00 0.00 55.36 56.37 1gth s GLN 170 Cb -0.11 -2.65 -0.05 0.00 1.10 0.00 0.00 33.01 31.31 1gth s GLN 170 CO 0.47 0.31 -0.04 0.96 -0.55 0.00 0.00 175.29 176.44 1gth s ILE 171 N -1.80 0.94 0.64 -2.34 -4.36 -0.47 -4.67 121.20 109.14 1gth s ILE 171 Ca 0.47 -2.02 -0.13 0.00 -0.26 0.00 0.00 60.65 58.71 1gth s ILE 171 Cb -0.12 -2.07 -0.02 0.00 1.25 0.00 0.00 42.46 41.51 1gth s ILE 171 CO 0.20 -0.55 1.05 0.00 0.24 0.00 0.00 174.94 175.88 1gth s ARG 172 N -3.84 3.21 -0.18 0.37 1.70 -1.26 -4.28 118.95 114.67 1gth s ARG 172 Ca 0.22 1.03 -0.37 0.00 -0.47 0.00 0.00 55.73 56.14 1gth s ARG 172 Cb 0.05 -2.02 -0.14 0.00 -0.57 0.00 0.00 34.95 32.26 1gth s ARG 172 CO 0.04 -0.88 1.80 -1.71 -1.08 0.00 0.00 175.30 173.46 1gth n ASN 173 N -2.56 2.86 0.05 -2.89 5.15 -1.26 -4.80 115.26 111.81 1gth n ASN 173 Ca 0.08 1.03 0.03 0.00 -0.60 0.00 0.00 54.58 55.12 1gth n ASN 173 Cb 0.53 -1.25 0.17 0.00 -0.53 0.00 0.00 39.78 38.70 1gth n ASN 173 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1gth n PRO 174 N 5.88 0.04 0.12 1.20 -0.04 -1.26 -1.24 135.00 139.70 1gth n PRO 174 Ca 0.25 0.53 0.08 0.00 -0.04 0.00 0.00 63.50 64.31 1gth n PRO 174 Cb 0.21 -1.64 0.02 0.00 -0.04 0.00 0.00 33.50 32.05 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 -5.79 3.69 0.91 0.00 1.43 -0.37 -4.97 118.68 113.58 1gth s LEU 176 Ca 0.01 2.63 -0.11 0.00 -1.03 0.00 0.00 54.13 55.63 1gth s LEU 176 Cb 0.08 -4.50 0.14 0.00 0.03 0.00 0.00 46.19 41.94 1gth s LEU 176 CO 0.76 -1.78 1.10 -2.84 0.23 0.00 0.00 176.35 173.83 1gth s PRO 177 N -3.20 1.11 0.87 1.29 0.02 -1.26 -4.95 135.00 128.86 1gth s PRO 177 Ca 0.78 1.18 -0.11 0.00 0.02 0.00 0.00 61.00 62.87 1gth s PRO 177 Cb -0.37 -1.76 0.12 0.00 0.02 0.00 0.00 34.50 32.50 1gth s PRO 177 CO 0.41 -2.45 1.15 -1.54 -0.33 0.00 0.00 177.00 174.24 1gth s SER 178 N -3.01 3.33 0.18 2.53 1.04 -1.26 -4.79 113.70 111.72 1gth s SER 178 Ca 0.65 2.17 -0.17 0.00 0.48 0.00 0.00 55.95 59.07 1gth s SER 178 Cb -0.20 -2.56 0.14 0.00 0.10 0.00 0.00 66.02 63.49 1gth s SER 178 CO 0.58 -2.83 1.63 -0.61 0.98 0.00 0.00 173.24 173.00 1gth h GLN 179 N -1.53 -0.07 0.00 4.02 5.75 -1.98 -0.71 115.11 120.58 1gth h GLN 179 Ca -0.44 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.07 1gth h GLN 179 Cb 1.27 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.83 1gth h GLN 179 CO 0.44 -0.05 0.00 -0.85 -2.65 0.00 0.00 178.83 175.72 1gth n GLU 180 N -5.38 0.03 -0.06 1.69 0.00 -1.26 -2.31 120.64 113.34 1gth n GLU 180 Ca 0.04 0.21 0.12 0.00 0.00 0.00 0.00 57.16 57.53 1gth n GLU 180 Cb 0.29 -1.50 0.13 0.00 0.00 0.00 0.00 31.44 30.36 1gth n GLU 180 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1gth n LYS 181 N -1.47 2.29 -2.52 3.44 5.02 -0.29 -4.95 118.16 119.69 1gth n LYS 181 Ca 0.04 -2.01 -0.40 0.00 -2.02 0.00 0.00 58.31 53.93 1gth n LYS 181 Cb 0.18 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 33.68 1gth n LYS 181 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1gth s MET 182 N -1.77 4.61 0.85 1.97 -1.94 -0.98 -4.89 119.30 117.15 1gth s MET 182 Ca 0.30 1.73 -0.14 0.00 -1.71 0.00 0.00 55.69 55.88 1gth s MET 182 Cb 0.20 -3.12 0.04 0.00 2.01 0.00 0.00 34.83 33.96 1gth s MET 182 CO 0.30 0.21 0.74 -2.30 -0.01 0.00 0.00 175.02 173.95 1gth n PRO 183 N 1.07 -0.02 -0.19 2.03 -0.02 -1.26 -4.87 135.00 131.74 1gth n PRO 183 Ca -0.01 0.06 0.07 0.00 -2.02 0.00 0.00 63.50 61.60 1gth n PRO 183 Cb 0.46 -2.07 0.36 0.00 -0.02 0.00 0.00 33.50 32.23 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 -1.10 0.72 -0.81 -0.52 4.81 -1.99 -2.44 114.58 113.26 1gth h GLU 184 Ca -0.45 -0.04 0.22 0.00 -0.13 0.00 0.00 59.36 58.96 1gth h GLU 184 Cb 1.30 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.48 1gth h GLU 184 CO 0.40 0.47 0.57 0.00 -0.73 0.00 0.00 179.01 179.72 1gth h ALA 185 N 1.61 2.60 0.00 2.92 0.00 -1.95 -0.62 119.26 123.81 1gth h ALA 185 Ca 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1gth h ALA 185 Cb 0.34 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1gth h ALA 185 CO -0.12 -0.83 0.00 0.66 0.00 0.00 0.00 179.25 178.96 1gth n TYR 186 N -4.36 0.00 0.52 0.00 4.02 -0.92 -2.35 117.16 114.08 1gth n TYR 186 Ca 0.16 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.17 1gth n TYR 186 Cb 0.80 -0.26 0.20 0.00 -0.02 0.00 0.00 39.34 40.07 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 -1.26 3.26 -4.68 7.72 3.41 -0.24 -1.61 113.62 120.23 1gth n SER 187 Ca 0.11 -1.98 -0.45 0.00 -0.26 0.00 0.00 58.87 56.30 1gth n SER 187 Cb 0.17 -0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 63.90 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 1.40 1.36 -2.21 7.33 0.00 -0.99 -4.66 120.51 122.74 1gth n ALA 188 Ca 0.18 0.42 -0.43 0.00 0.00 0.00 0.00 53.44 53.61 1gth n ALA 188 Cb 0.59 -2.32 -0.02 0.00 0.00 0.00 0.00 19.45 17.70 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 0.01 4.16 -0.07 0.00 1.02 -1.26 -4.49 119.74 119.10 1gth s LYS 189 Ca 0.71 1.89 0.03 0.00 0.02 0.00 0.00 55.97 58.61 1gth s LYS 189 Cb -0.64 -3.89 -0.02 0.00 -0.52 0.00 0.00 37.83 32.75 1gth s LYS 189 CO 0.46 -0.84 -0.15 0.42 -0.92 0.00 0.00 175.35 174.32 1gth s ILE 190 N 3.94 2.99 -0.01 2.17 1.01 -0.50 -0.75 121.20 130.06 1gth s ILE 190 Ca 0.65 -0.73 0.07 0.00 0.00 0.00 0.00 60.65 60.64 1gth s ILE 190 Cb -0.27 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 39.99 1gth s ILE 190 CO 0.23 0.57 -0.22 0.00 0.00 0.00 0.00 174.94 175.52 1gth s ALA 191 N -0.41 1.88 -0.03 9.38 0.00 -0.64 -1.63 121.76 130.31 1gth s ALA 191 Ca 0.05 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 51.05 1gth s ALA 191 Cb -0.12 -0.46 -0.00 0.00 0.00 0.00 0.00 23.12 22.53 1gth s ALA 191 CO 0.02 0.46 -0.13 -0.51 0.00 0.00 0.00 175.76 175.59 1gth s LEU 192 N -0.63 1.88 -0.21 0.00 1.02 0.10 -0.80 118.68 120.04 1gth s LEU 192 Ca 0.09 -0.27 -0.07 0.00 0.02 0.00 0.00 54.13 53.90 1gth s LEU 192 Cb -0.09 -0.75 -0.03 0.00 0.02 0.00 0.00 46.19 45.34 1gth s LEU 192 CO -0.00 0.12 0.06 -0.76 0.02 0.00 0.00 176.35 175.79 1gth s LEU 193 N 0.04 3.61 0.00 1.79 2.01 0.09 -0.37 118.68 125.86 1gth s LEU 193 Ca -0.02 -0.07 0.00 0.00 0.01 0.00 0.00 54.13 54.05 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 0.07 0.00 0.61 1.01 0.00 0.00 176.35 178.05 1gth n GLY 194 N 4.22 -0.12 2.80 -3.19 0.00 0.16 -0.73 105.19 108.33 1gth n GLY 194 Ca -0.16 -1.20 -0.40 0.00 0.00 0.00 0.00 46.02 44.26 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 1.81 6.36 -3.27 4.61 0.00 -1.26 -4.49 120.51 124.28 1gth n ALA 195 Ca 0.00 -4.29 -0.15 0.00 0.00 0.00 0.00 53.44 49.00 1gth n ALA 195 Cb 0.00 -2.08 0.03 0.00 0.00 0.00 0.00 19.45 17.39 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 -0.31 2.27 0.28 0.00 0.00 -1.26 -0.41 105.19 105.75 1gth n GLY 196 Ca 0.51 -2.21 0.06 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 0.23 0.15 1.61 0.11 -1.93 -0.23 132.00 131.94 1gth h PRO 197 Ca -0.18 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.93 1gth h PRO 197 Cb 0.75 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.79 1gth h PRO 197 CO 0.26 0.15 -0.17 0.00 -0.21 0.00 0.00 178.00 178.04 1gth h ALA 198 N 1.64 -0.32 -0.36 -0.75 0.00 -1.90 -0.25 119.26 117.32 1gth h ALA 198 Ca 0.43 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 55.15 1gth h ALA 198 Cb 0.76 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1gth h ALA 198 CO -0.55 -0.71 -0.37 0.77 0.00 0.00 0.00 179.25 178.39 1gth h SER 199 N -0.36 0.92 -0.47 0.00 0.02 -1.69 -1.00 113.55 110.96 1gth h SER 199 Ca 0.01 -0.41 0.01 0.00 -0.84 0.00 0.00 61.79 60.56 1gth h SER 199 Cb 0.35 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 1gth h SER 199 CO -0.06 1.18 0.30 0.40 -1.14 0.00 0.00 176.83 177.51 1gth h ILE 200 N 0.71 1.09 0.22 3.27 2.04 -0.93 0.17 117.51 124.08 1gth h ILE 200 Ca 0.06 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 1gth h ILE 200 Cb 0.95 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1gth h ILE 200 CO 0.09 0.11 -0.11 -1.28 0.00 0.00 0.00 178.15 176.96 1gth h SER 201 N 0.60 -0.25 -0.22 1.72 0.87 -0.95 -1.25 113.55 114.07 1gth h SER 201 Ca 0.18 -0.11 0.05 0.00 -1.23 0.00 0.00 61.79 60.67 1gth h SER 201 Cb -0.04 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 61.95 1gth h SER 201 CO -0.06 -0.04 -0.07 0.00 -0.53 0.00 0.00 176.83 176.14 1gth h ALA 203 N 1.20 1.26 0.01 0.00 0.00 -0.66 -2.01 119.26 119.06 1gth h ALA 203 Ca 0.11 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1gth h ALA 203 Cb 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1gth h ALA 203 CO -0.24 0.51 -0.01 0.77 0.00 0.00 0.00 179.25 180.29 1gth h SER 204 N 0.71 -0.02 -0.50 0.00 0.02 -0.56 -0.54 113.55 112.67 1gth h SER 204 Ca 0.16 -0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 60.97 1gth h SER 204 Cb 0.30 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 1gth h SER 204 CO 0.00 0.03 -0.04 -0.26 -1.14 0.00 0.00 176.83 175.42 1gth h PHE 205 N -0.06 1.04 -0.82 3.45 -1.00 -1.19 -0.34 116.94 118.01 1gth h PHE 205 Ca -0.00 -0.18 -0.01 0.00 2.81 0.00 0.00 57.97 60.59 1gth h PHE 205 Cb 0.05 -0.27 -0.04 0.00 3.61 0.00 0.00 35.95 39.30 1gth h PHE 205 CO -0.07 0.95 0.48 -0.07 -1.61 0.00 0.00 178.31 178.00 1gth h LEU 206 N 0.86 1.00 -0.97 1.54 3.38 -1.24 -1.02 115.31 118.86 1gth h LEU 206 Ca 0.15 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1gth h LEU 206 Cb 0.57 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1gth h LEU 206 CO 0.03 0.78 0.13 0.00 0.09 0.00 0.00 178.44 179.47 1gth h ALA 207 N 1.26 1.16 -0.74 1.53 0.00 -0.63 -2.25 119.26 119.59 1gth h ALA 207 Ca 0.29 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1gth h ALA 207 Cb -0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1gth h ALA 207 CO -0.05 0.57 0.30 0.00 0.00 0.00 0.00 179.25 180.06 1gth h ARG 208 N 0.84 1.09 0.00 0.00 3.08 -0.09 -1.93 114.38 117.38 1gth h ARG 208 Ca 0.18 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1gth h ARG 208 Cb 0.32 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1gth h ARG 208 CO 0.00 0.88 0.00 -0.07 -1.07 0.00 0.00 179.97 179.71 1gth h LEU 209 N 1.07 0.00 0.00 3.04 3.38 -0.63 -3.42 115.31 118.75 1gth h LEU 209 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1gth h LEU 209 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1gth h LEU 209 CO -0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.12 1gth n GLY 210 N -0.26 0.92 3.71 0.83 0.00 -0.72 -5.09 105.19 104.57 1gth n GLY 210 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 3.06 -2.26 1.61 1.51 -1.06 -4.86 117.35 113.35 1gth s TYR 211 Ca 0.00 0.85 0.20 0.00 -1.01 0.00 0.00 57.07 57.12 1gth s TYR 211 Cb 0.00 -3.71 0.33 0.00 -0.11 0.00 0.00 41.96 38.47 1gth s TYR 211 CO 0.00 -2.56 1.29 -1.13 -1.11 0.00 0.00 175.55 172.04 1gth n SER 212 N 4.47 3.13 -3.39 2.29 3.41 -0.63 -4.50 113.62 118.40 1gth n SER 212 Ca 0.12 -1.92 -0.26 0.00 -0.26 0.00 0.00 58.87 56.55 1gth n SER 212 Cb 0.42 -0.17 -0.09 0.00 -0.26 0.00 0.00 64.21 64.11 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 1.26 0.74 -4.36 4.04 -0.08 -1.26 -5.01 116.55 111.89 1gth n ASP 213 Ca 0.16 -2.73 -0.33 0.00 -1.51 0.00 0.00 54.79 50.38 1gth n ASP 213 Cb 0.54 -0.63 -0.15 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 -0.92 2.95 -0.03 5.18 1.01 -1.26 -1.41 121.20 126.73 1gth s ILE 214 Ca 0.34 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 60.30 1gth s ILE 214 Cb 0.09 -2.22 0.01 0.00 0.01 0.00 0.00 42.46 40.35 1gth s ILE 214 CO -0.14 0.53 -0.05 -0.89 0.00 0.00 0.00 174.94 174.39 1gth s THR 215 N 0.27 0.54 -0.19 2.92 2.01 -0.65 -1.24 115.64 119.30 1gth s THR 215 Ca -0.10 -0.18 -0.06 0.00 0.31 0.00 0.00 61.69 61.66 1gth s THR 215 Cb -0.16 -0.53 -0.03 0.00 0.01 0.00 0.00 72.50 71.79 1gth s THR 215 CO 0.06 0.20 0.03 -0.63 -0.69 0.00 0.00 174.62 173.59 1gth s ILE 216 N 0.57 4.29 -0.28 1.82 1.01 0.75 -0.72 121.20 128.63 1gth s ILE 216 Ca -0.07 -0.20 -0.08 0.00 0.00 0.00 0.00 60.65 60.29 1gth s ILE 216 Cb -0.11 -2.94 -0.01 0.00 0.01 0.00 0.00 42.46 39.41 1gth s ILE 216 CO 0.00 0.44 0.10 -0.36 0.00 0.00 0.00 174.94 175.11 1gth s PHE 217 N 0.76 3.12 -0.15 3.97 0.40 0.51 -0.44 117.98 126.16 1gth s PHE 217 Ca 0.01 -0.58 -0.03 0.00 -0.60 0.00 0.00 56.93 55.74 1gth s PHE 217 Cb -0.14 -2.27 -0.03 0.00 0.51 0.00 0.00 43.02 41.09 1gth s PHE 217 CO 0.02 -0.43 -0.04 -2.00 0.70 0.00 0.00 175.22 173.47 1gth s GLU 218 N 1.59 3.58 0.06 0.44 2.56 -0.17 -0.66 118.70 126.10 1gth s GLU 218 Ca 0.05 -0.53 -0.27 0.00 0.00 0.00 0.00 54.97 54.22 1gth s GLU 218 Cb -0.16 -2.87 -0.17 0.00 2.00 0.00 0.00 34.13 32.93 1gth s GLU 218 CO 0.04 0.28 1.55 -0.22 -0.56 0.00 0.00 175.26 176.36 1gth h LYS 219 N 6.56 -0.37 -7.47 4.30 3.64 -1.72 0.70 116.57 122.21 1gth h LYS 219 Ca -0.32 0.03 -0.42 0.00 -1.27 0.00 0.00 60.65 58.66 1gth h LYS 219 Cb 1.19 0.08 0.19 0.00 -0.41 0.00 0.00 32.23 33.28 1gth h LYS 219 CO 0.62 -0.17 0.19 -0.65 -2.27 0.00 0.00 179.45 177.16 1gth s GLN 220 N -5.66 -0.85 0.06 1.90 -1.52 -1.26 -3.03 119.66 109.29 1gth s GLN 220 Ca -0.15 -0.12 0.24 0.00 -1.95 0.00 0.00 55.36 53.38 1gth s GLN 220 Cb 0.04 -1.64 0.21 0.00 -0.22 0.00 0.00 33.01 31.40 1gth s GLN 220 CO 0.62 -3.46 1.18 -0.85 -0.25 0.00 0.00 175.29 172.54 1gth n GLU 221 N -4.57 0.23 -4.12 2.91 0.28 -1.26 -2.59 120.64 111.52 1gth n GLU 221 Ca 0.13 0.02 -0.22 0.00 -0.16 0.00 0.00 57.16 56.94 1gth n GLU 221 Cb 0.59 -1.60 -0.05 0.00 1.43 0.00 0.00 31.44 31.82 1gth n GLU 221 CO 0.00 0.00 0.00 1.52 -0.16 0.00 0.00 177.13 178.49 1gth s TYR 222 N -3.14 3.04 0.30 -1.84 -0.85 -1.26 -4.95 117.35 108.64 1gth s TYR 222 Ca 0.06 -0.14 0.11 0.00 -0.52 0.00 0.00 57.07 56.58 1gth s TYR 222 Cb 0.15 -1.41 -0.06 0.00 0.38 0.00 0.00 41.96 41.02 1gth s TYR 222 CO 0.76 0.51 -0.16 0.14 -1.52 0.00 0.00 175.55 175.28 1gth s VAL 223 N -2.17 2.35 0.00 -3.49 -7.23 -1.26 -4.80 120.40 103.79 1gth s VAL 223 Ca 0.33 -2.32 0.00 0.00 -1.81 0.00 0.00 61.98 58.18 1gth s VAL 223 Cb -0.07 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.44 1gth s VAL 223 CO 0.24 -0.33 0.00 0.61 -0.31 0.00 0.00 175.10 175.31 1gth n GLY 224 N -0.68 0.94 7.00 2.32 0.00 0.45 -4.70 105.19 110.52 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 -0.73 1.57 0.34 -0.02 0.00 -1.09 -2.63 105.19 102.62 1gth n GLY 225 Ca 0.00 -0.56 0.17 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.05 0.99 3.38 -1.96 0.79 115.31 116.47 1gth h LEU 226 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 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 0.05 0.28 0.09 0.00 0.00 178.44 178.86 1gth h SER 227 N 0.00 0.00 0.00 -0.43 0.02 -1.88 -1.34 113.55 109.92 1gth h SER 227 Ca 0.11 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.72 1gth h SER 227 Cb 0.53 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.02 1gth h SER 227 CO -0.00 0.00 -1.95 0.41 -1.14 0.00 0.00 176.83 174.14 1gth n THR 228 N -4.44 1.52 0.22 -2.27 -1.04 0.13 -4.36 114.28 104.04 1gth n THR 228 Ca -0.01 -0.21 0.10 0.00 -2.04 0.00 0.00 64.05 61.89 1gth n THR 228 Cb 0.16 -2.00 0.37 0.00 -1.82 0.00 0.00 70.33 67.03 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 -1.17 -3.42 113.55 120.60 1gth h SER 229 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1gth h SER 229 Cb 1.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 1gth h SER 229 CO -0.30 0.20 -0.35 -0.62 -0.87 0.00 0.00 176.83 174.88 1gth n GLU 230 N -3.26 0.92 -1.91 4.77 1.02 -0.59 -2.78 120.64 118.82 1gth n GLU 230 Ca 0.01 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.73 1gth n GLU 230 Cb 0.48 -0.68 -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 -1.35 3.20 0.37 -3.67 1.01 -0.68 -4.89 121.20 115.18 1gth s ILE 231 Ca 0.00 0.47 -0.26 0.00 0.00 0.00 0.00 60.65 60.86 1gth s ILE 231 Cb 0.00 -3.30 -0.12 0.00 0.01 0.00 0.00 42.46 39.05 1gth s ILE 231 CO 0.00 -0.02 0.95 -2.65 0.00 0.00 0.00 174.94 173.22 1gth n PRO 232 N 6.42 1.26 0.27 2.79 -0.02 -1.26 -4.72 135.00 139.74 1gth n PRO 232 Ca 0.17 0.45 0.11 0.00 -2.02 0.00 0.00 63.50 62.21 1gth n PRO 232 Cb 0.41 -1.90 0.75 0.00 -0.02 0.00 0.00 33.50 32.75 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 1.63 0.00 -0.01 -0.52 5.75 -1.91 0.34 115.11 120.39 1gth h GLN 233 Ca -0.42 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.08 1gth h GLN 233 Cb 1.35 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.90 1gth h GLN 233 CO 0.58 0.03 0.00 1.97 -2.65 0.00 0.00 178.83 178.76 1gth n PHE 234 N -4.13 0.01 0.00 3.99 1.16 -1.25 -3.41 117.46 113.83 1gth n PHE 234 Ca -0.03 -0.01 0.00 0.00 -1.87 0.00 0.00 57.45 55.55 1gth n PHE 234 Cb 0.12 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.99 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 -0.67 0.00 -3.60 3.97 1.74 -0.42 -2.00 116.66 115.69 1gth n ARG 235 Ca 0.10 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.89 1gth n ARG 235 Cb 0.06 -0.90 -0.15 0.00 -1.02 0.00 0.00 32.46 30.45 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 -4.59 1.13 0.31 0.55 2.96 -0.02 -4.78 118.68 114.23 1gth s LEU 236 Ca 0.00 -1.47 -0.30 0.00 -0.22 0.00 0.00 54.13 52.14 1gth s LEU 236 Cb 0.00 -0.52 -0.12 0.00 0.50 0.00 0.00 46.19 46.05 1gth s LEU 236 CO 0.00 -0.42 1.57 -2.65 -1.32 0.00 0.00 176.35 173.53 1gth n PRO 237 N 5.03 2.69 0.01 0.98 -0.02 -1.22 -4.30 135.00 138.17 1gth n PRO 237 Ca -0.04 0.95 0.17 0.00 -2.02 0.00 0.00 63.50 62.57 1gth n PRO 237 Cb 0.42 -2.73 0.63 0.00 -0.02 0.00 0.00 33.50 31.80 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 4.44 0.12 -0.74 6.00 3.20 -1.92 -0.98 116.97 127.09 1gth h TYR 238 Ca -0.48 0.00 0.17 0.00 3.14 0.00 0.00 58.73 61.57 1gth h TYR 238 Cb 1.23 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.42 1gth h TYR 238 CO 0.57 0.05 0.50 0.22 -1.64 0.00 0.00 178.16 177.87 1gth h ASP 239 N 0.11 0.26 -0.26 -2.11 1.82 -1.89 -1.28 116.42 113.06 1gth h ASP 239 Ca 0.23 0.02 -0.06 0.00 -0.39 0.00 0.00 57.03 56.83 1gth h ASP 239 Cb 0.78 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.75 1gth h ASP 239 CO -0.03 0.13 -0.07 0.58 -1.61 0.00 0.00 179.24 178.24 1gth h VAL 240 N 0.27 1.28 -0.41 2.25 2.07 -1.54 -2.39 116.25 117.80 1gth h VAL 240 Ca 0.36 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1gth h VAL 240 Cb 1.03 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.24 1gth h VAL 240 CO -0.09 0.34 0.26 0.58 0.02 0.00 0.00 177.57 178.69 1gth h VAL 241 N 0.26 1.11 -0.35 2.57 2.07 -1.35 -2.36 116.25 118.20 1gth h VAL 241 Ca 0.07 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 1gth h VAL 241 Cb 0.55 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1gth h VAL 241 CO 0.03 0.11 0.09 -1.13 0.02 0.00 0.00 177.57 176.69 1gth h ASN 242 N 0.55 0.46 -0.11 0.57 -0.73 -1.41 -1.23 115.58 113.68 1gth h ASN 242 Ca 0.15 -0.06 -0.00 0.00 1.87 0.00 0.00 56.30 58.26 1gth h ASN 242 Cb -0.05 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 38.42 1gth h ASN 242 CO -0.03 0.47 0.06 0.15 -0.37 0.00 0.00 177.43 177.70 1gth h PHE 243 N 0.50 0.16 -0.02 0.67 3.57 -0.93 -1.78 116.94 119.12 1gth h PHE 243 Ca 0.12 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.49 1gth h PHE 243 Cb 0.19 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1gth h PHE 243 CO 0.01 0.21 -0.55 0.93 -2.23 0.00 0.00 178.31 176.68 1gth h GLU 244 N 0.07 0.06 -0.27 1.11 5.08 -1.11 -2.28 114.58 117.23 1gth h GLU 244 Ca 0.04 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1gth h GLU 244 Cb 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1gth h GLU 244 CO -0.01 0.59 -0.05 0.82 -1.00 0.00 0.00 179.01 179.37 1gth h ILE 245 N 0.05 1.28 -0.47 3.13 1.08 -1.10 -2.69 117.51 118.79 1gth h ILE 245 Ca -0.00 -1.05 -0.06 0.00 -0.39 0.00 0.00 64.86 63.36 1gth h ILE 245 Cb 0.98 1.42 -0.02 0.00 -3.07 0.00 0.00 36.82 36.13 1gth h ILE 245 CO 0.07 0.33 0.06 -0.33 -0.69 0.00 0.00 178.15 177.60 1gth h GLU 246 N 0.26 0.74 -0.86 2.37 4.39 -1.21 -0.79 114.58 119.48 1gth h GLU 246 Ca 0.07 -0.16 0.01 0.00 0.34 0.00 0.00 59.36 59.62 1gth h GLU 246 Cb 0.51 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.01 1gth h GLU 246 CO 0.02 0.71 0.57 -0.07 -1.16 0.00 0.00 179.01 179.08 1gth h LEU 247 N 0.71 0.98 -0.58 1.33 3.38 -1.31 -0.96 115.31 118.86 1gth h LEU 247 Ca 0.15 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1gth h LEU 247 Cb 0.34 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1gth h LEU 247 CO 0.01 0.71 0.13 -0.03 0.09 0.00 0.00 178.44 179.34 1gth h MET 248 N 1.16 0.94 0.00 1.13 4.05 -1.04 -2.41 114.93 118.76 1gth h MET 248 Ca 0.32 -0.23 -0.01 0.00 -0.28 0.00 0.00 59.70 59.49 1gth h MET 248 Cb -0.13 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 30.55 1gth h MET 248 CO -0.07 0.88 -0.05 0.87 0.23 0.00 0.00 176.91 178.77 1gth h LYS 249 N 0.85 0.00 0.00 0.39 1.57 -0.33 -1.10 116.57 117.95 1gth h LYS 249 Ca 0.18 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1gth h LYS 249 Cb 0.37 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 1gth h LYS 249 CO 0.00 0.05 -0.03 -0.44 -0.57 0.00 0.00 179.45 178.46 1gth h ASP 250 N 0.00 0.00 -0.42 0.86 3.32 -0.67 -0.24 116.42 119.27 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 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1gth h ASP 250 CO 0.01 0.03 0.00 0.18 -1.72 0.00 0.00 179.24 177.74 1gth n LEU 251 N -3.50 2.47 0.00 1.55 4.77 -0.41 -4.86 117.00 117.02 1gth n LEU 251 Ca -0.02 -1.19 0.00 0.00 -0.03 0.00 0.00 56.01 54.76 1gth n LEU 251 Cb 0.13 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1gth n LEU 251 CO 0.26 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1gth n GLY 252 N 1.25 1.03 3.72 -0.72 0.00 -0.10 -4.95 105.19 105.43 1gth n GLY 252 Ca 0.16 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 0.94 -4.18 1.61 0.31 -1.25 -4.76 118.33 109.01 1gth n VAL 253 Ca 0.00 -0.24 -0.33 0.00 -0.01 0.00 0.00 64.34 63.76 1gth n VAL 253 Cb 0.00 -1.84 -0.08 0.00 -0.91 0.00 0.00 33.84 31.02 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 -0.39 3.01 -0.08 5.55 1.02 -0.37 -4.61 119.74 123.87 1gth s LYS 254 Ca 0.66 -0.48 0.03 0.00 0.02 0.00 0.00 55.97 56.19 1gth s LYS 254 Cb -0.54 -2.82 0.01 0.00 -0.52 0.00 0.00 37.83 33.96 1gth s LYS 254 CO 0.48 0.66 -0.15 0.42 -0.92 0.00 0.00 175.35 175.83 1gth s ILE 255 N -1.11 1.42 -0.21 2.17 1.01 -1.26 -0.18 121.20 123.04 1gth s ILE 255 Ca 0.20 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.23 1gth s ILE 255 Cb -0.12 -1.27 0.05 0.00 0.01 0.00 0.00 42.46 41.12 1gth s ILE 255 CO 0.10 0.42 -0.10 -0.63 0.00 0.00 0.00 174.94 174.73 1gth s ILE 256 N 0.66 1.73 0.54 2.92 1.01 0.42 -4.95 121.20 123.53 1gth s ILE 256 Ca -0.14 -1.11 -0.03 0.00 0.00 0.00 0.00 60.65 59.37 1gth s ILE 256 Cb -0.16 -1.81 0.01 0.00 0.01 0.00 0.00 42.46 40.51 1gth s ILE 256 CO 0.04 0.14 0.80 0.00 0.00 0.00 0.00 174.94 175.92 1gth n GLY 258 N -2.38 0.47 3.15 0.00 0.00 0.14 -4.87 105.19 101.71 1gth n GLY 258 Ca 0.04 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.60 3.04 0.20 1.61 -0.14 -0.63 -4.95 119.74 118.26 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 -0.17 -0.04 -1.12 -0.76 0.00 0.00 175.35 173.26 1gth s SER 260 N 1.21 4.53 -0.53 2.83 0.01 -1.26 -2.03 113.70 118.46 1gth s SER 260 Ca 0.03 -0.52 -0.22 0.00 1.31 0.00 0.00 55.95 56.56 1gth s SER 260 Cb -0.14 -0.87 0.05 0.00 0.21 0.00 0.00 66.02 65.28 1gth s SER 260 CO -0.10 0.08 0.78 -0.22 0.41 0.00 0.00 173.24 174.19 1gth s LEU 261 N -3.05 4.54 -0.05 2.44 2.96 -1.26 -2.16 118.68 122.10 1gth s LEU 261 Ca 0.27 -0.63 -0.29 0.00 -0.22 0.00 0.00 54.13 53.26 1gth s LEU 261 Cb -0.08 -2.64 0.11 0.00 0.50 0.00 0.00 46.19 44.08 1gth s LEU 261 CO 0.18 -1.05 0.91 -0.94 -1.32 0.00 0.00 176.35 174.12 1gth s SER 262 N 2.75 -0.38 0.51 3.68 1.04 -0.36 -4.58 113.70 116.36 1gth s SER 262 Ca 0.23 0.14 0.27 0.00 0.48 0.00 0.00 55.95 57.07 1gth s SER 262 Cb -0.16 0.37 1.49 0.00 0.10 0.00 0.00 66.02 67.82 1gth s SER 262 CO 0.16 -0.54 1.82 1.05 0.98 0.00 0.00 173.24 176.70 1gth h GLU 263 N 2.19 0.00 -0.02 4.02 4.11 -1.07 0.22 114.58 124.04 1gth h GLU 263 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.22 1gth h GLU 263 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1gth h GLU 263 CO 0.31 0.00 -0.01 0.09 0.07 0.00 0.00 179.01 179.47 1gth n ASN 264 N -2.59 1.90 0.00 3.06 3.02 -1.26 -4.92 115.26 114.47 1gth n ASN 264 Ca -0.02 -1.62 0.00 0.00 -0.03 0.00 0.00 54.58 52.91 1gth n ASN 264 Cb 0.22 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 1gth n ASN 264 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1gth n GLU 265 N 0.47 0.00 -3.19 3.52 2.13 0.77 -5.11 120.64 119.23 1gth n GLU 265 Ca 0.17 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.61 1gth n GLU 265 Cb 0.42 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.08 1gth n GLU 265 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1gth s ILE 266 N 1.57 5.07 0.23 6.31 1.01 -0.92 -4.83 121.20 129.63 1gth s ILE 266 Ca 0.00 1.20 0.01 0.00 0.00 0.00 0.00 60.65 61.86 1gth s ILE 266 Cb 0.00 -3.92 -0.05 0.00 0.01 0.00 0.00 42.46 38.50 1gth s ILE 266 CO 0.00 0.32 0.07 0.42 0.00 0.00 0.00 174.94 175.75 1gth s THR 267 N 0.47 0.55 0.35 2.92 -4.23 -1.26 -1.23 115.64 113.21 1gth s THR 267 Ca 0.31 -1.99 0.04 0.00 -1.18 0.00 0.00 61.69 58.87 1gth s THR 267 Cb -0.17 -2.45 0.21 0.00 1.34 0.00 0.00 72.50 71.43 1gth s THR 267 CO 0.15 -0.16 1.94 -0.07 -0.54 0.00 0.00 174.62 175.94 1gth h LEU 268 N 2.51 0.58 -0.33 4.79 3.38 -1.63 -1.38 115.31 123.22 1gth h LEU 268 Ca -0.38 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.45 1gth h LEU 268 Cb 1.23 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1gth h LEU 268 CO 0.61 0.53 -0.13 0.78 0.09 0.00 0.00 178.44 180.31 1gth h ASN 269 N 0.63 0.68 -0.23 -0.43 2.35 -1.83 -0.64 115.58 116.12 1gth h ASN 269 Ca 0.15 -0.39 -0.10 0.00 -0.55 0.00 0.00 56.30 55.41 1gth h ASN 269 Cb 0.13 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 1gth h ASN 269 CO -0.01 0.92 -0.19 0.71 -1.65 0.00 0.00 177.43 177.21 1gth h THR 270 N 0.44 1.26 -0.33 2.81 1.35 -1.84 -0.07 112.91 116.52 1gth h THR 270 Ca 0.08 -1.24 -0.05 0.00 -0.55 0.00 0.00 66.41 64.65 1gth h THR 270 Cb 0.65 1.19 -0.01 0.00 -1.73 0.00 0.00 68.15 68.25 1gth h THR 270 CO 0.04 0.41 0.03 -0.07 -0.25 0.00 0.00 175.52 175.68 1gth h LEU 271 N 0.60 0.55 -0.82 3.87 3.38 -1.18 -1.14 115.31 120.57 1gth h LEU 271 Ca 0.09 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1gth h LEU 271 Cb 0.65 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1gth h LEU 271 CO 0.05 0.70 0.40 0.50 0.09 0.00 0.00 178.44 180.18 1gth h LYS 272 N 0.39 1.18 0.00 1.13 3.64 -0.83 -2.01 116.57 120.06 1gth h LYS 272 Ca 0.10 -0.17 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 1gth h LYS 272 Cb 0.40 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1gth h LYS 272 CO 0.01 0.90 -0.20 0.93 -2.27 0.00 0.00 179.45 178.82 1gth h GLU 273 N 1.16 0.00 -0.01 1.90 5.08 -0.84 -2.66 114.58 119.22 1gth h GLU 273 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1gth h GLU 273 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1gth h GLU 273 CO -0.04 0.20 -0.09 0.39 -1.00 0.00 0.00 179.01 178.47 1gth n GLU 274 N -3.41 0.94 0.00 2.33 1.02 -0.45 -4.93 120.64 116.14 1gth n GLU 274 Ca -0.00 -0.38 0.00 0.00 -0.02 0.00 0.00 57.16 56.76 1gth n GLU 274 Cb 0.40 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 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 1.23 0.49 3.73 0.62 0.00 -1.00 -5.07 105.19 105.18 1gth n GLY 275 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 2.95 -0.18 1.61 1.51 -0.87 -4.59 117.35 115.78 1gth s TYR 276 Ca 0.00 0.63 0.19 0.00 -1.01 0.00 0.00 57.07 56.88 1gth s TYR 276 Cb 0.00 -4.00 -0.05 0.00 -0.11 0.00 0.00 41.96 37.80 1gth s TYR 276 CO 0.00 -3.62 0.98 0.87 -1.11 0.00 0.00 175.55 172.68 1gth h LYS 277 N 6.19 0.00 -2.85 -0.62 1.79 -1.27 -3.42 116.57 116.38 1gth h LYS 277 Ca -0.44 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 57.94 1gth h LYS 277 Cb 1.21 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 31.68 1gth h LYS 277 CO 0.89 0.16 -0.11 0.00 -1.08 0.00 0.00 179.45 179.31 1gth s ALA 278 N -3.13 -1.07 -0.00 3.86 0.00 -1.23 -4.81 121.76 115.38 1gth s ALA 278 Ca -0.01 0.49 -0.00 0.00 0.00 0.00 0.00 51.96 52.43 1gth s ALA 278 Cb 0.09 0.21 -0.00 0.00 0.00 0.00 0.00 23.12 23.41 1gth s ALA 278 CO 0.79 -0.38 0.00 0.00 0.00 0.00 0.00 175.76 176.18 1gth s ALA 279 N -1.90 -0.01 -0.12 0.00 0.00 -0.40 -1.62 121.76 117.71 1gth s ALA 279 Ca -0.09 -0.00 0.02 0.00 0.00 0.00 0.00 51.96 51.89 1gth s ALA 279 Cb -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 23.12 23.09 1gth s ALA 279 CO 0.02 -0.01 -0.19 0.12 0.00 0.00 0.00 175.76 175.70 1gth s PHE 280 N -0.05 2.68 -0.37 0.00 5.36 0.02 -0.26 117.98 125.37 1gth s PHE 280 Ca -0.01 -0.97 -0.14 0.00 -0.96 0.00 0.00 56.93 54.86 1gth s PHE 280 Cb -0.00 -1.79 -0.00 0.00 -0.34 0.00 0.00 43.02 40.88 1gth s PHE 280 CO -0.00 -0.39 0.28 0.42 -1.46 0.00 0.00 175.22 174.07 1gth s ILE 281 N 0.49 5.26 -0.34 3.12 -1.09 0.16 -0.73 121.20 128.06 1gth s ILE 281 Ca -0.13 -0.37 0.16 0.00 -2.23 0.00 0.00 60.65 58.08 1gth s ILE 281 Cb -0.17 -3.82 0.45 0.00 -1.58 0.00 0.00 42.46 37.34 1gth s ILE 281 CO 0.05 -0.15 0.96 0.61 -1.23 0.00 0.00 174.94 175.19 1gth n GLY 282 N 5.12 2.26 0.36 6.18 0.00 0.09 -1.97 105.19 117.23 1gth n GLY 282 Ca -0.11 -1.53 0.14 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.11 0.00 -4.82 -0.61 -5.35 -1.15 -4.32 119.36 102.99 1gth n ILE 283 Ca 0.14 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 1gth n ILE 283 Cb 0.79 0.34 0.00 0.00 -1.74 0.00 0.00 39.64 39.03 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 1.20 0.73 3.01 3.28 0.00 -1.26 -4.16 105.19 108.00 1gth n GLY 284 Ca 0.18 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 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 0.35 0.99 1.43 -1.26 -4.06 118.68 121.14 1gth s LEU 285 Ca 0.00 -3.39 0.25 0.00 -1.03 0.00 0.00 54.13 49.96 1gth s LEU 285 Cb 0.00 -1.76 1.25 0.00 0.03 0.00 0.00 46.19 45.71 1gth s LEU 285 CO 0.00 -0.21 1.76 1.55 0.23 0.00 0.00 176.35 179.67 1gth h PRO 286 N 6.20 0.00 -6.56 1.29 0.13 -1.72 -3.38 132.00 127.96 1gth h PRO 286 Ca 0.06 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.50 1gth h PRO 286 Cb 0.85 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 31.74 1gth h PRO 286 CO 0.74 0.00 -0.82 -1.21 -0.23 0.00 0.00 178.00 176.49 1gth s GLU 287 N -3.55 2.11 0.39 0.86 2.02 -0.51 -4.98 118.70 115.04 1gth s GLU 287 Ca -0.01 -0.95 -0.25 0.00 0.02 0.00 0.00 54.97 53.79 1gth s GLU 287 Cb 0.08 -2.17 -0.09 0.00 0.10 0.00 0.00 34.13 32.05 1gth s GLU 287 CO 0.28 0.55 1.11 -1.25 0.02 0.00 0.00 175.26 175.98 1gth s PRO 288 N -1.20 4.15 -0.29 0.39 0.04 -1.26 0.89 135.00 137.70 1gth s PRO 288 Ca 0.13 1.70 -0.29 0.00 0.04 0.00 0.00 61.00 62.58 1gth s PRO 288 Cb -0.10 -2.66 0.01 0.00 0.04 0.00 0.00 34.50 31.79 1gth s PRO 288 CO 0.03 -0.20 1.14 0.21 0.04 0.00 0.00 177.00 178.22 1gth s LYS 289 N -2.31 4.07 0.54 4.56 2.20 -0.53 -4.68 119.74 123.61 1gth s LYS 289 Ca 0.56 1.20 0.08 0.00 -0.36 0.00 0.00 55.97 57.45 1gth s LYS 289 Cb -0.27 -3.76 0.07 0.00 -1.51 0.00 0.00 37.83 32.36 1gth s LYS 289 CO 0.34 -0.90 0.75 0.95 -0.36 0.00 0.00 175.35 176.13 1gth s THR 290 N 3.74 2.43 -0.06 3.43 -4.23 -1.26 -4.58 115.64 115.11 1gth s THR 290 Ca 0.48 -0.93 -0.08 0.00 -1.18 0.00 0.00 61.69 59.98 1gth s THR 290 Cb -0.14 -2.50 0.02 0.00 1.34 0.00 0.00 72.50 71.22 1gth s THR 290 CO 0.16 0.00 0.20 -0.62 -0.54 0.00 0.00 174.62 173.82 1gth s ASP 291 N -4.56 -0.18 0.25 3.99 -1.08 -1.26 -5.07 116.67 108.76 1gth s ASP 291 Ca 0.60 0.31 -0.08 0.00 -0.52 0.00 0.00 52.55 52.85 1gth s ASP 291 Cb -0.07 0.39 0.41 0.00 -1.46 0.00 0.00 42.92 42.18 1gth s ASP 291 CO 0.38 -0.14 1.61 -0.78 0.52 0.00 0.00 175.17 176.76 1gth h ASP 292 N 5.47 -0.54 0.00 -0.34 3.58 -2.01 -1.71 116.42 120.87 1gth h ASP 292 Ca -0.27 0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.41 1gth h ASP 292 Cb 1.19 0.42 0.00 0.00 1.72 0.00 0.00 39.33 42.67 1gth h ASP 292 CO 0.38 -0.23 0.34 0.40 -2.88 0.00 0.00 179.24 177.24 1gth h ILE 293 N 0.04 0.00 -0.48 2.25 2.04 -1.97 0.87 117.51 120.26 1gth h ILE 293 Ca 0.41 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.27 1gth h ILE 293 Cb 0.69 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1gth h ILE 293 CO -0.75 0.00 0.00 0.49 0.00 0.00 0.00 178.15 177.89 1gth n PHE 294 N -2.31 0.64 -1.70 1.37 3.01 -0.64 -4.54 117.46 113.29 1gth n PHE 294 Ca -0.01 -0.47 -0.44 0.00 1.01 0.00 0.00 57.45 57.54 1gth n PHE 294 Cb 0.36 -0.02 -0.03 0.00 -0.01 0.00 0.00 39.48 39.79 1gth n PHE 294 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 1gth n GLN 295 N 0.98 2.33 0.00 -1.08 7.27 0.30 -1.79 117.38 125.38 1gth n GLN 295 Ca 0.16 0.83 0.00 0.00 0.07 0.00 0.00 57.00 58.07 1gth n GLN 295 Cb 0.50 -2.57 0.00 0.00 2.41 0.00 0.00 30.24 30.59 1gth n GLN 295 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1gth n GLY 296 N 2.60 2.88 3.75 1.69 0.00 -1.26 -5.00 105.19 109.84 1gth n GLY 296 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 4.37 0.49 0.99 1.43 -0.74 -5.01 118.68 120.21 1gth s LEU 297 Ca 0.00 2.78 0.02 0.00 -1.03 0.00 0.00 54.13 55.90 1gth s LEU 297 Cb 0.00 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.57 1gth s LEU 297 CO 0.00 -0.80 0.02 0.42 0.23 0.00 0.00 176.35 176.22 1gth s THR 298 N 0.05 1.16 0.20 5.49 -4.23 -1.26 -4.93 115.64 112.12 1gth s THR 298 Ca 0.62 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 59.07 1gth s THR 298 Cb -0.44 -2.25 0.04 0.00 1.34 0.00 0.00 72.50 71.18 1gth s THR 298 CO 0.45 0.00 1.63 1.56 -0.54 0.00 0.00 174.62 177.71 1gth h GLN 299 N 1.44 0.85 -0.77 3.99 4.20 -1.93 -0.98 115.11 121.92 1gth h GLN 299 Ca -0.43 -0.33 0.16 0.00 0.06 0.00 0.00 58.65 58.11 1gth h GLN 299 Cb 1.30 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.98 1gth h GLN 299 CO 0.73 0.96 0.52 -0.44 -0.67 0.00 0.00 178.83 179.93 1gth h ASP 300 N 0.75 0.39 1.80 1.46 3.32 -1.94 0.54 116.42 122.75 1gth h ASP 300 Ca 0.11 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1gth h ASP 300 Cb 0.70 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1gth h ASP 300 CO 0.05 0.19 -0.15 1.56 -1.72 0.00 0.00 179.24 179.18 1gth h GLN 301 N 0.41 0.00 0.00 3.56 4.20 -1.69 -3.45 115.11 118.14 1gth h GLN 301 Ca 0.38 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.09 1gth h GLN 301 Cb 0.90 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.68 1gth h GLN 301 CO -0.12 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.45 1gth n GLY 302 N 1.13 1.39 3.71 3.46 0.00 0.19 -0.66 105.19 114.42 1gth n GLY 302 Ca 0.04 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 3.29 0.07 1.61 5.36 -0.39 -0.56 117.98 125.35 1gth s PHE 303 Ca 0.00 0.23 -0.07 0.00 -0.96 0.00 0.00 56.93 56.13 1gth s PHE 303 Cb 0.00 -1.90 -0.01 0.00 -0.34 0.00 0.00 43.02 40.77 1gth s PHE 303 CO 0.00 0.45 0.14 0.71 -1.46 0.00 0.00 175.22 175.06 1gth s TYR 304 N -0.60 0.20 0.29 10.12 1.51 0.19 -3.23 117.35 125.84 1gth s TYR 304 Ca 0.11 -0.60 0.09 0.00 -1.01 0.00 0.00 57.07 55.66 1gth s TYR 304 Cb -0.12 -0.12 -0.04 0.00 -0.11 0.00 0.00 41.96 41.57 1gth s TYR 304 CO 0.02 -0.47 0.07 0.95 -1.11 0.00 0.00 175.55 175.01 1gth s THR 305 N -3.45 3.40 0.36 -0.71 -4.23 -1.26 -0.74 115.64 109.01 1gth s THR 305 Ca 0.02 -1.78 0.09 0.00 -1.18 0.00 0.00 61.69 58.84 1gth s THR 305 Cb 0.03 -2.95 0.32 0.00 1.34 0.00 0.00 72.50 71.24 1gth s THR 305 CO -0.09 -0.30 1.87 0.77 -0.54 0.00 0.00 174.62 176.34 1gth h SER 306 N 1.72 0.63 0.47 3.99 4.64 -0.62 0.87 113.55 125.25 1gth h SER 306 Ca -0.44 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 60.90 1gth h SER 306 Cb 1.25 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1gth h SER 306 CO 0.61 0.32 -0.05 0.11 -0.87 0.00 0.00 176.83 176.96 1gth h LYS 307 N 0.67 0.00 0.01 4.77 1.79 -1.92 -2.65 116.57 119.24 1gth h LYS 307 Ca 0.44 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.60 1gth h LYS 307 Cb 0.72 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.33 1gth h LYS 307 CO -0.20 0.05 -1.70 -0.25 -1.08 0.00 0.00 179.45 176.27 1gth n ASP 308 N -3.29 1.91 0.20 0.86 10.43 0.18 -4.50 116.55 122.35 1gth n ASP 308 Ca -0.01 0.36 -0.08 0.00 2.57 0.00 0.00 54.79 57.63 1gth n ASP 308 Cb 0.21 -0.90 -0.04 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 -0.88 -0.49 -0.91 1.24 3.57 -1.20 -3.28 116.94 114.99 1gth h PHE 309 Ca -0.46 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.20 1gth h PHE 309 Cb 1.47 0.16 -0.10 0.00 2.79 0.00 0.00 35.95 40.27 1gth h PHE 309 CO 0.04 -0.31 0.49 -0.07 -2.23 0.00 0.00 178.31 176.24 1gth h LEU 310 N -0.63 0.60 -1.53 0.59 3.38 -1.72 -0.72 115.31 115.27 1gth h LEU 310 Ca -0.05 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1gth h LEU 310 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1gth h LEU 310 CO 0.09 0.22 0.04 -0.65 0.09 0.00 0.00 178.44 178.23 1gth h PRO 311 N 0.65 0.34 -0.20 1.13 0.11 -1.65 0.09 132.00 132.47 1gth h PRO 311 Ca 0.51 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.54 1gth h PRO 311 Cb 0.78 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.82 1gth h PRO 311 CO -0.39 0.34 -0.02 -0.07 -0.21 0.00 0.00 178.00 177.65 1gth h LEU 312 N 0.34 0.37 -0.65 2.35 3.38 -1.19 -0.66 115.31 119.24 1gth h LEU 312 Ca 0.08 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 1gth h LEU 312 Cb 0.17 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1gth h LEU 312 CO -0.00 0.62 0.23 0.58 0.09 0.00 0.00 178.44 179.96 1gth h VAL 313 N 0.11 1.24 0.22 1.22 2.07 -1.09 -2.50 116.25 117.52 1gth h VAL 313 Ca 0.05 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 1gth h VAL 313 Cb 0.44 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1gth h VAL 313 CO 0.01 0.31 -0.11 0.00 0.02 0.00 0.00 177.57 177.81 1gth h ALA 314 N 1.09 -0.29 -0.46 1.67 0.00 -0.86 0.04 119.26 120.45 1gth h ALA 314 Ca 0.21 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.14 1gth h ALA 314 Cb 0.24 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1gth h ALA 314 CO -0.01 -0.66 0.32 0.87 0.00 0.00 0.00 179.25 179.76 1gth h LYS 315 N -0.30 0.24 0.09 0.00 1.57 -1.02 0.15 116.57 117.30 1gth h LYS 315 Ca -0.03 -0.01 -0.27 0.00 -1.87 0.00 0.00 60.65 58.47 1gth h LYS 315 Cb 0.23 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1gth h LYS 315 CO 0.05 0.16 -1.28 1.03 -0.57 0.00 0.00 179.45 178.83 1gth h SER 316 N 0.24 0.30 0.04 0.86 0.87 -1.02 -3.38 113.55 111.46 1gth h SER 316 Ca 0.21 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1gth h SER 316 Cb 0.52 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1gth h SER 316 CO -0.04 1.28 -0.97 -1.54 -0.53 0.00 0.00 176.83 175.03 1gth n SER 317 N -3.45 0.96 -4.22 6.23 3.41 -0.04 -4.83 113.62 111.68 1gth n SER 317 Ca -0.09 -0.94 -0.41 0.00 -0.26 0.00 0.00 58.87 57.18 1gth n SER 317 Cb 1.01 0.95 -0.09 0.00 -0.26 0.00 0.00 64.21 65.83 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 -3.00 2.50 0.05 4.33 1.02 0.46 -4.97 119.74 120.12 1gth s LYS 318 Ca 0.08 -1.69 -0.31 0.00 0.02 0.00 0.00 55.97 54.07 1gth s LYS 318 Cb 0.16 -3.88 -0.07 0.00 -0.52 0.00 0.00 37.83 33.52 1gth s LYS 318 CO 0.86 -1.13 1.50 0.00 -0.92 0.00 0.00 175.35 175.66 1gth s ALA 319 N 1.37 3.63 0.00 5.17 0.00 -1.26 -2.25 121.76 128.42 1gth s ALA 319 Ca 0.05 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.07 1gth s ALA 319 Cb -0.25 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.24 1gth s ALA 319 CO -0.00 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.23 1gth n GLY 320 N 3.76 3.13 0.34 0.00 0.00 -1.26 -4.82 105.19 106.34 1gth n GLY 320 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 2.13 -0.81 -6.23 1.61 -1.53 -1.81 -3.44 114.93 104.84 1gth h MET 321 Ca 0.00 0.06 -0.68 0.00 -3.44 0.00 0.00 59.70 55.64 1gth h MET 321 Cb 0.00 0.18 -0.18 0.00 -0.55 0.00 0.00 31.60 31.06 1gth h MET 321 CO 0.00 -0.54 -0.70 0.00 0.14 0.00 0.00 176.91 175.81 1gth h ALA 323 N 4.78 0.90 -2.69 0.00 0.00 -1.97 -3.42 119.26 116.87 1gth h ALA 323 Ca -0.48 -0.01 -0.59 0.00 0.00 0.00 0.00 54.91 53.83 1gth h ALA 323 Cb 1.17 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1gth h ALA 323 CO 0.53 0.17 -0.28 0.00 0.00 0.00 0.00 179.25 179.67 1gth s HIS 325 N -1.54 3.72 -0.01 0.00 2.46 -1.26 -5.05 115.29 113.62 1gth s HIS 325 Ca 0.37 1.71 0.04 0.00 0.47 0.00 0.00 55.06 57.65 1gth s HIS 325 Cb -0.13 -3.15 -0.03 0.00 -0.13 0.00 0.00 32.58 29.14 1gth s HIS 325 CO 0.21 -0.15 -0.11 -1.12 -2.47 0.00 0.00 174.74 171.10 1gth s SER 326 N -0.10 4.29 0.47 9.88 0.01 -1.26 -5.10 113.70 121.89 1gth s SER 326 Ca 0.48 -0.20 -0.20 0.00 1.31 0.00 0.00 55.95 57.34 1gth s SER 326 Cb -0.26 -0.93 -0.10 0.00 0.21 0.00 0.00 66.02 64.95 1gth s SER 326 CO 0.32 0.30 0.98 -2.84 0.41 0.00 0.00 173.24 172.41 1gth s PRO 327 N -1.18 4.05 -0.01 12.44 0.02 -1.26 -4.46 135.00 144.60 1gth s PRO 327 Ca 0.15 1.14 -0.30 0.00 0.02 0.00 0.00 61.00 62.00 1gth s PRO 327 Cb -0.11 -2.15 -0.03 0.00 0.02 0.00 0.00 34.50 32.23 1gth s PRO 327 CO 0.05 -0.19 1.06 -1.17 -0.33 0.00 0.00 177.00 176.41 1gth s LEU 328 N -3.48 4.34 -0.13 -5.54 2.96 -1.26 -4.76 118.68 110.82 1gth s LEU 328 Ca 0.62 1.73 -0.39 0.00 -0.22 0.00 0.00 54.13 55.88 1gth s LEU 328 Cb -0.11 -3.57 -0.16 0.00 0.50 0.00 0.00 46.19 42.85 1gth s LEU 328 CO 0.19 -0.37 1.60 -2.65 -1.32 0.00 0.00 176.35 173.80 1gth n PRO 329 N 4.23 1.22 -2.59 0.98 -0.02 -1.26 -4.84 135.00 132.72 1gth n PRO 329 Ca 0.08 0.44 -0.41 0.00 -2.02 0.00 0.00 63.50 61.59 1gth n PRO 329 Cb 0.49 -2.12 -0.03 0.00 -0.02 0.00 0.00 33.50 31.82 1gth n PRO 329 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1gth s SER 330 N 2.40 6.22 -0.27 2.55 1.04 -1.26 -4.73 113.70 119.65 1gth s SER 330 Ca 0.93 -0.67 -0.03 0.00 0.48 0.00 0.00 55.95 56.65 1gth s SER 330 Cb -1.00 -2.54 0.03 0.00 0.10 0.00 0.00 66.02 62.60 1gth s SER 330 CO 0.58 -1.74 -0.01 -0.63 0.98 0.00 0.00 173.24 172.42 1gth s ILE 331 N 5.41 3.20 0.05 -1.02 1.01 -1.18 -5.08 121.20 123.59 1gth s ILE 331 Ca 0.35 -0.99 0.03 0.00 0.00 0.00 0.00 60.65 60.04 1gth s ILE 331 Cb -0.08 -2.67 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 1gth s ILE 331 CO 0.11 0.11 -0.10 -0.13 0.00 0.00 0.00 174.94 174.93 1gth s ARG 332 N 1.36 0.64 0.46 2.79 0.52 -1.26 -1.24 118.95 122.23 1gth s ARG 332 Ca -0.00 -0.84 0.00 0.00 -0.52 0.00 0.00 55.73 54.37 1gth s ARG 332 Cb -0.17 -0.49 0.00 0.00 0.52 0.00 0.00 34.95 34.80 1gth s ARG 332 CO -0.02 0.10 0.00 0.41 0.02 0.00 0.00 175.30 175.81 1gth n GLY 333 N 1.37 -1.80 3.72 -3.53 0.00 -1.26 -4.74 105.19 98.94 1gth n GLY 333 Ca -0.22 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 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 -1.74 3.25 -0.09 4.61 0.00 -1.26 -2.17 121.76 124.36 1gth s ALA 334 Ca 0.00 0.64 0.02 0.00 0.00 0.00 0.00 51.96 52.62 1gth s ALA 334 Cb 0.00 -3.35 -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 0.00 175.76 175.47 1gth s VAL 335 N 0.63 2.85 -0.16 0.00 1.01 -0.15 -0.09 120.40 124.50 1gth s VAL 335 Ca 0.52 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 1gth s VAL 335 Cb -0.24 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 1gth s VAL 335 CO 0.29 0.55 -0.12 -0.63 0.00 0.00 0.00 175.10 175.20 1gth s ILE 336 N -0.07 3.02 -0.21 2.22 1.01 0.26 -0.38 121.20 127.05 1gth s ILE 336 Ca -0.03 -0.65 -0.04 0.00 0.00 0.00 0.00 60.65 59.93 1gth s ILE 336 Cb -0.14 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 40.02 1gth s ILE 336 CO 0.04 0.50 -0.04 -0.69 0.00 0.00 0.00 174.94 174.75 1gth s VAL 337 N 0.71 3.42 -0.17 2.92 1.01 0.16 -0.38 120.40 128.07 1gth s VAL 337 Ca -0.05 -0.48 -0.16 0.00 0.00 0.00 0.00 61.98 61.28 1gth s VAL 337 Cb -0.15 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 1gth s VAL 337 CO 0.02 0.43 0.41 -0.76 0.00 0.00 0.00 175.10 175.20 1gth s LEU 338 N 1.39 4.21 0.00 3.92 1.43 0.21 -1.11 118.68 128.73 1gth s LEU 338 Ca 0.05 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 53.76 1gth s LEU 338 Cb -0.14 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.52 1gth s LEU 338 CO -0.02 -0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.14 1gth n GLY 339 N 3.62 3.08 0.28 -3.19 0.00 -0.71 -1.41 105.19 106.87 1gth n GLY 339 Ca -0.08 -1.90 0.07 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.42 2.29 -1.91 4.61 0.00 -1.26 -4.57 120.51 119.26 1gth n ALA 340 Ca 0.00 -2.20 -0.30 0.00 0.00 0.00 0.00 53.44 50.95 1gth n ALA 340 Cb 0.00 -0.42 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 -2.33 1.72 0.41 0.00 0.00 -1.26 -4.03 107.32 101.83 1gth s GLY 341 Ca 0.23 -1.02 0.12 0.00 0.00 0.00 0.00 44.72 44.05 1gth s GLY 341 CO 0.01 -0.34 1.95 -0.55 0.00 0.00 0.00 173.10 174.16 1gth h ASP 342 N -1.48 0.12 -0.40 1.64 3.32 -1.94 -2.50 116.42 115.18 1gth h ASP 342 Ca -0.45 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 56.51 1gth h ASP 342 Cb 1.26 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 1gth h ASP 342 CO 0.47 0.30 0.02 0.74 -1.72 0.00 0.00 179.24 179.04 1gth h THR 343 N 0.12 1.24 -0.84 0.35 2.02 -1.92 -2.73 112.91 111.14 1gth h THR 343 Ca 0.02 -0.95 0.08 0.00 0.77 0.00 0.00 66.41 66.33 1gth h THR 343 Cb 0.36 0.85 -0.07 0.00 -1.74 0.00 0.00 68.15 67.55 1gth h THR 343 CO 0.02 0.34 0.50 0.00 0.37 0.00 0.00 175.52 176.75 1gth h ALA 344 N 1.29 1.19 -0.13 6.16 0.00 -1.71 -1.61 119.26 124.45 1gth h ALA 344 Ca 0.15 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1gth h ALA 344 Cb 0.41 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1gth h ALA 344 CO 0.02 0.17 -0.34 0.74 0.00 0.00 0.00 179.25 179.84 1gth h PHE 345 N 0.87 0.29 0.00 0.00 -1.00 -1.51 -0.51 116.94 115.08 1gth h PHE 345 Ca 0.39 -0.07 -0.08 0.00 2.81 0.00 0.00 57.97 61.02 1gth h PHE 345 Cb 0.29 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.77 1gth h PHE 345 CO -0.05 0.57 -0.39 -0.44 -1.61 0.00 0.00 178.31 176.39 1gth h ASP 346 N 0.22 0.00 -0.10 2.17 3.32 -1.26 -1.80 116.42 118.98 1gth h ASP 346 Ca 0.03 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 1gth h ASP 346 Cb 0.71 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.26 1gth h ASP 346 CO 0.05 0.39 -0.34 0.00 -1.72 0.00 0.00 179.24 177.63 1gth h ALA 348 N 0.48 -0.54 -0.58 0.00 0.00 -0.97 0.14 119.26 117.78 1gth h ALA 348 Ca -0.01 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1gth h ALA 348 Cb 0.97 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1gth h ALA 348 CO 0.07 -0.81 0.18 1.79 0.00 0.00 0.00 179.25 180.49 1gth h THR 349 N -0.54 1.22 -0.14 0.00 1.35 -1.42 -2.28 112.91 111.11 1gth h THR 349 Ca -0.05 -0.77 -0.12 0.00 -0.55 0.00 0.00 66.41 64.92 1gth h THR 349 Cb 0.42 0.58 -0.01 0.00 -1.73 0.00 0.00 68.15 67.41 1gth h THR 349 CO 0.08 0.29 -0.43 0.28 -0.25 0.00 0.00 175.52 175.49 1gth h SER 350 N 0.85 0.34 -0.67 5.36 0.02 -1.09 -2.92 113.55 115.44 1gth h SER 350 Ca 0.19 -0.15 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1gth h SER 350 Cb 0.25 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.65 1gth h SER 350 CO -0.01 0.73 0.41 0.00 -1.14 0.00 0.00 176.83 176.83 1gth h ALA 351 N 1.28 0.87 -0.75 3.77 0.00 -0.13 -2.05 119.26 122.26 1gth h ALA 351 Ca 0.02 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1gth h ALA 351 Cb 0.87 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1gth h ALA 351 CO 0.07 0.16 0.49 -0.07 0.00 0.00 0.00 179.25 179.91 1gth h LEU 352 N 0.80 0.81 -1.61 0.00 3.38 -1.32 -0.14 115.31 117.23 1gth h LEU 352 Ca 0.27 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 1gth h LEU 352 Cb 0.04 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1gth h LEU 352 CO -0.11 0.57 -0.01 0.03 0.09 0.00 0.00 178.44 179.00 1gth h ARG 353 N 0.94 0.00 -0.00 1.13 -0.00 -1.34 -2.60 114.38 112.51 1gth h ARG 353 Ca 0.29 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.77 1gth h ARG 353 Cb -0.00 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.97 1gth h ARG 353 CO -0.08 0.01 -0.29 0.00 0.00 0.00 0.00 179.97 179.62 1gth n GLY 355 N 1.50 0.99 3.62 0.00 0.00 -0.98 -3.13 105.19 107.18 1gth n GLY 355 Ca 0.06 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.51 0.17 0.12 4.61 0.00 -0.37 -4.50 120.51 120.03 1gth n ALA 356 Ca 0.00 0.41 -0.21 0.00 0.00 0.00 0.00 53.44 53.64 1gth n ALA 356 Cb 0.00 -2.12 -0.15 0.00 0.00 0.00 0.00 19.45 17.18 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 2.95 0.42 -2.78 0.00 2.43 -1.70 -3.45 114.38 112.26 1gth h ARG 357 Ca -0.43 -0.72 -0.11 0.00 -0.81 0.00 0.00 59.98 57.92 1gth h ARG 357 Cb 1.32 0.27 -0.21 0.00 -0.42 0.00 0.00 29.97 30.92 1gth h ARG 357 CO 0.67 1.33 -0.19 0.50 -1.51 0.00 0.00 179.97 180.77 1gth s ARG 358 N -2.62 0.66 -0.07 0.20 6.06 -1.21 -5.02 118.95 116.95 1gth s ARG 358 Ca -0.08 0.15 0.02 0.00 -2.50 0.00 0.00 55.73 53.31 1gth s ARG 358 Cb 0.05 0.30 0.02 0.00 0.06 0.00 0.00 34.95 35.38 1gth s ARG 358 CO 0.91 -0.16 -0.10 0.08 -2.50 0.00 0.00 175.30 173.53 1gth s VAL 359 N -0.74 1.05 -0.09 7.11 1.01 -1.26 -0.97 120.40 126.50 1gth s VAL 359 Ca -0.08 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1gth s VAL 359 Cb -0.04 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 1gth s VAL 359 CO 0.04 0.34 -0.15 -0.36 0.00 0.00 0.00 175.10 174.97 1gth s PHE 360 N 0.92 2.71 -0.34 5.22 0.40 0.48 -1.20 117.98 126.18 1gth s PHE 360 Ca -0.10 -0.45 -0.09 0.00 -0.60 0.00 0.00 56.93 55.69 1gth s PHE 360 Cb -0.15 -1.72 0.02 0.00 0.51 0.00 0.00 43.02 41.68 1gth s PHE 360 CO 0.01 -0.04 0.16 -0.51 0.70 0.00 0.00 175.22 175.53 1gth s LEU 361 N -0.18 4.36 -0.23 -0.37 1.43 0.64 -0.67 118.68 123.66 1gth s LEU 361 Ca -0.01 -0.84 -0.04 0.00 -1.03 0.00 0.00 54.13 52.22 1gth s LEU 361 Cb -0.13 -1.97 -0.01 0.00 0.03 0.00 0.00 46.19 44.10 1gth s LEU 361 CO 0.03 -0.29 -0.03 -0.69 0.23 0.00 0.00 176.35 175.60 1gth s VAL 362 N 1.54 3.42 0.13 -1.59 1.01 -0.27 -0.42 120.40 124.23 1gth s VAL 362 Ca 0.02 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.57 1gth s VAL 362 Cb -0.18 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 1gth s VAL 362 CO 0.05 0.39 -0.20 0.72 0.00 0.00 0.00 175.10 176.07 1gth s PHE 363 N 1.48 1.81 -1.10 5.22 -0.12 -0.73 -1.73 117.98 122.82 1gth s PHE 363 Ca 0.05 -0.44 0.25 0.00 -0.05 0.00 0.00 56.93 56.74 1gth s PHE 363 Cb -0.15 -0.95 1.11 0.00 -0.63 0.00 0.00 43.02 42.41 1gth s PHE 363 CO -0.03 0.27 1.81 2.89 -0.05 0.00 0.00 175.22 180.12 1gth n ARG 364 N 0.68 0.08 -1.74 1.99 1.85 -1.03 -1.62 116.66 116.86 1gth n ARG 364 Ca -0.16 0.07 0.00 0.00 -1.00 0.00 0.00 57.85 56.75 1gth n ARG 364 Cb 0.55 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.46 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 -1.45 1.99 -2.23 2.89 5.02 -1.26 -4.15 118.16 118.97 1gth n LYS 365 Ca 0.07 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.10 1gth n LYS 365 Cb 0.27 0.00 0.10 0.00 -0.02 0.00 0.00 35.03 35.38 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 -1.07 1.72 0.23 0.72 0.00 -1.26 -1.29 107.32 106.37 1gth s GLY 366 Ca 0.00 -1.13 -0.07 0.00 0.00 0.00 0.00 44.72 43.52 1gth s GLY 366 CO 0.00 -0.63 1.88 -2.75 0.00 0.00 0.00 173.10 171.59 1gth h PHE 367 N -0.76 1.21 0.00 1.90 3.57 -1.98 -1.23 116.94 119.65 1gth h PHE 367 Ca -0.43 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.06 1gth h PHE 367 Cb 1.29 -0.40 -0.00 0.00 2.79 0.00 0.00 35.95 39.64 1gth h PHE 367 CO -0.03 0.81 -0.02 0.28 -2.23 0.00 0.00 178.31 177.12 1gth h VAL 368 N 1.26 0.17 -0.01 1.41 2.07 -2.06 -2.32 116.25 116.77 1gth h VAL 368 Ca 0.33 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1gth h VAL 368 Cb -0.04 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1gth h VAL 368 CO -0.06 0.02 -0.17 0.59 0.02 0.00 0.00 177.57 177.98 1gth n ASN 369 N -3.27 1.07 -4.69 0.57 4.13 -0.47 -4.85 115.26 107.75 1gth n ASN 369 Ca -0.02 -1.01 -0.42 0.00 1.68 0.00 0.00 54.58 54.81 1gth n ASN 369 Cb 0.15 0.07 -0.03 0.00 -1.54 0.00 0.00 39.78 38.44 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 -2.36 2.80 -1.21 2.41 1.01 -0.87 -4.85 121.20 118.13 1gth s ILE 370 Ca 0.29 0.26 0.13 0.00 0.00 0.00 0.00 60.65 61.33 1gth s ILE 370 Cb 0.20 -3.17 0.32 0.00 0.01 0.00 0.00 42.46 39.83 1gth s ILE 370 CO 0.46 -0.00 1.24 0.54 0.00 0.00 0.00 174.94 177.18 1gth n ARG 371 N 5.73 2.52 -2.39 2.79 1.74 -1.26 -4.98 116.66 120.81 1gth n ARG 371 Ca 0.17 -2.02 -0.36 0.00 -0.77 0.00 0.00 57.85 54.87 1gth n ARG 371 Cb 0.39 -1.31 -0.02 0.00 -1.02 0.00 0.00 32.46 30.50 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 2.88 0.24 7.54 0.00 -1.26 -4.91 121.76 125.24 1gth s ALA 372 Ca 0.26 0.77 -0.31 0.00 0.00 0.00 0.00 51.96 52.68 1gth s ALA 372 Cb 0.14 -3.32 -0.13 0.00 0.00 0.00 0.00 23.12 19.81 1gth s ALA 372 CO 0.19 -0.52 1.54 1.33 0.00 0.00 0.00 175.76 178.30 1gth n VAL 373 N -0.78 0.71 -0.28 0.00 0.24 -1.26 -4.81 118.33 112.15 1gth n VAL 373 Ca 0.09 -0.18 0.10 0.00 -2.04 0.00 0.00 64.34 62.30 1gth n VAL 373 Cb 0.50 -1.72 0.25 0.00 -1.47 0.00 0.00 33.84 31.40 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 5.00 0.33 -0.88 7.34 0.11 -1.97 -0.82 132.00 141.11 1gth h PRO 374 Ca -0.45 -0.02 0.09 0.00 0.11 0.00 0.00 66.00 65.72 1gth h PRO 374 Cb 1.24 -0.07 -0.06 0.00 0.11 0.00 0.00 31.00 32.22 1gth h PRO 374 CO 0.81 0.22 0.57 0.93 -0.21 0.00 0.00 178.00 180.33 1gth h GLU 375 N 0.34 0.88 -0.14 1.05 3.07 -2.00 0.78 114.58 118.56 1gth h GLU 375 Ca 0.49 -0.05 -0.09 0.00 -0.50 0.00 0.00 59.36 59.21 1gth h GLU 375 Cb 0.89 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 1gth h GLU 375 CO -0.52 0.58 -0.27 0.93 -1.40 0.00 0.00 179.01 178.33 1gth h GLU 376 N 0.91 0.43 -0.93 2.33 4.39 -1.53 -3.04 114.58 117.14 1gth h GLU 376 Ca 0.40 -0.27 0.05 0.00 0.34 0.00 0.00 59.36 59.88 1gth h GLU 376 Cb 0.35 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.97 1gth h GLU 376 CO -0.17 0.87 0.60 0.28 -1.16 0.00 0.00 179.01 179.44 1gth h VAL 377 N 0.04 1.10 -0.70 3.13 2.07 -0.69 -2.39 116.25 118.82 1gth h VAL 377 Ca 0.01 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 1gth h VAL 377 Cb 0.85 -0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1gth h VAL 377 CO 0.06 0.20 0.34 -0.08 0.02 0.00 0.00 177.57 178.11 1gth h GLU 378 N 1.12 1.00 -0.85 1.57 4.81 -0.85 -1.58 114.58 119.80 1gth h GLU 378 Ca 0.39 -0.14 0.02 0.00 -0.13 0.00 0.00 59.36 59.50 1gth h GLU 378 Cb 0.10 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.25 1gth h GLU 378 CO -0.15 0.77 0.56 -0.07 -0.73 0.00 0.00 179.01 179.39 1gth h LEU 379 N 0.99 0.95 -0.34 1.64 3.38 -1.31 0.11 115.31 120.73 1gth h LEU 379 Ca 0.24 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 58.01 1gth h LEU 379 Cb 0.10 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1gth h LEU 379 CO -0.03 0.67 -0.56 0.00 0.09 0.00 0.00 178.44 178.61 1gth h ALA 380 N 1.33 0.51 -0.61 1.53 0.00 -1.43 -2.80 119.26 117.78 1gth h ALA 380 Ca 0.32 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1gth h ALA 380 Cb -0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1gth h ALA 380 CO -0.09 0.68 0.25 -0.22 0.00 0.00 0.00 179.25 179.88 1gth h LYS 381 N 0.62 0.91 0.00 0.00 3.64 -0.83 -1.93 116.57 118.98 1gth h LYS 381 Ca 0.01 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1gth h LYS 381 Cb 1.16 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1gth h LYS 381 CO 0.12 0.76 0.00 1.05 -2.27 0.00 0.00 179.45 179.12 1gth h GLU 382 N 0.85 0.00 -0.64 1.90 4.11 -0.99 -2.42 114.58 117.39 1gth h GLU 382 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.63 1gth h GLU 382 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1gth h GLU 382 CO -0.02 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.45 1gth n GLU 383 N -3.07 2.98 -3.45 1.06 1.02 -1.00 -4.85 120.64 113.33 1gth n GLU 383 Ca 0.02 -1.90 -0.19 0.00 -0.02 0.00 0.00 57.16 55.06 1gth n GLU 383 Cb 0.39 -1.76 0.08 0.00 -0.02 0.00 0.00 31.44 30.13 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 0.58 -6.94 -3.17 3.49 4.76 -0.91 -4.80 118.16 111.17 1gth n LYS 384 Ca 0.17 0.80 -0.38 0.00 -2.87 0.00 0.00 58.31 56.03 1gth n LYS 384 Cb 0.69 -5.71 -0.06 0.00 -1.84 0.00 0.00 35.03 28.11 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 -1.30 3.87 -0.12 0.00 2.56 -0.34 -4.74 118.70 118.62 1gth s GLU 386 Ca 0.33 0.38 0.03 0.00 0.00 0.00 0.00 54.97 55.71 1gth s GLU 386 Cb -0.20 -2.64 0.00 0.00 2.00 0.00 0.00 34.13 33.30 1gth s GLU 386 CO 0.21 0.30 -0.21 -0.06 -0.56 0.00 0.00 175.26 174.95 1gth s PHE 387 N -1.81 2.65 -0.29 5.30 0.40 -1.26 -0.26 117.98 122.71 1gth s PHE 387 Ca 0.48 -1.12 0.02 0.00 -0.60 0.00 0.00 56.93 55.71 1gth s PHE 387 Cb -0.11 -1.78 0.08 0.00 0.51 0.00 0.00 43.02 41.71 1gth s PHE 387 CO 0.20 -0.48 -0.00 -0.51 0.70 0.00 0.00 175.22 175.13 1gth s LEU 388 N 0.58 3.43 0.79 -0.37 1.43 0.44 -4.95 118.68 120.02 1gth s LEU 388 Ca -0.12 -1.63 -0.09 0.00 -1.03 0.00 0.00 54.13 51.26 1gth s LEU 388 Cb -0.17 -1.34 0.11 0.00 0.03 0.00 0.00 46.19 44.82 1gth s LEU 388 CO 0.04 -0.31 1.11 -2.16 0.23 0.00 0.00 176.35 175.26 1gth s PRO 389 N 1.21 1.66 -1.47 1.29 0.04 -1.26 -1.77 135.00 134.70 1gth s PRO 389 Ca 0.02 -0.40 -0.01 0.00 0.04 0.00 0.00 61.00 60.65 1gth s PRO 389 Cb -0.19 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1gth s PRO 389 CO -0.10 -1.63 0.21 1.19 0.04 0.00 0.00 177.00 176.71 1gth n PHE 390 N -3.18 -1.44 -3.77 0.56 3.01 -0.41 -4.86 117.46 107.36 1gth n PHE 390 Ca 0.11 0.66 -0.19 0.00 1.01 0.00 0.00 57.45 59.04 1gth n PHE 390 Cb 0.60 -3.24 -0.17 0.00 -0.01 0.00 0.00 39.48 36.67 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 -7.19 0.63 -0.18 4.37 1.43 -0.64 -2.53 118.68 114.58 1gth s LEU 391 Ca 0.02 0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.11 1gth s LEU 391 Cb -0.01 -0.20 -0.01 0.00 0.03 0.00 0.00 46.19 46.00 1gth s LEU 391 CO 0.95 -0.18 -0.08 -0.55 0.23 0.00 0.00 176.35 176.72 1gth s SER 392 N 1.66 4.22 0.63 2.29 0.15 -0.59 -2.48 113.70 119.58 1gth s SER 392 Ca -0.01 -0.34 -0.19 0.00 0.70 0.00 0.00 55.95 56.11 1gth s SER 392 Cb -0.13 -1.69 -0.02 0.00 -1.71 0.00 0.00 66.02 62.48 1gth s SER 392 CO -0.03 0.08 1.31 -0.81 1.20 0.00 0.00 173.24 174.99 1gth n PRO 393 N 4.15 1.24 0.00 5.44 -0.04 -1.26 -1.17 135.00 143.36 1gth n PRO 393 Ca -0.18 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 1gth n PRO 393 Cb 0.52 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 1gth n PRO 393 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1gth n ARG 394 N -1.73 0.00 -3.83 0.54 5.12 0.12 -4.84 116.66 112.04 1gth n ARG 394 Ca 0.15 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.95 1gth n ARG 394 Cb 0.47 -0.49 -0.09 0.00 -1.16 0.00 0.00 32.46 31.19 1gth n ARG 394 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1gth s LYS 395 N -1.00 0.55 -0.62 5.56 1.02 -1.07 -4.88 119.74 119.30 1gth s LYS 395 Ca 0.00 -0.30 0.03 0.00 0.02 0.00 0.00 55.97 55.71 1gth s LYS 395 Cb 0.00 0.24 0.15 0.00 -0.52 0.00 0.00 37.83 37.70 1gth s LYS 395 CO 0.00 -0.14 0.40 0.08 -0.92 0.00 0.00 175.35 174.77 1gth s VAL 396 N -1.33 3.01 0.24 3.17 1.01 -1.26 0.13 120.40 125.38 1gth s VAL 396 Ca -0.14 -3.58 -0.31 0.00 0.00 0.00 0.00 61.98 57.95 1gth s VAL 396 Cb -0.07 -3.01 -0.12 0.00 0.00 0.00 0.00 36.38 33.19 1gth s VAL 396 CO 0.03 -0.89 1.67 -0.63 0.00 0.00 0.00 175.10 175.27 1gth s ILE 397 N -0.67 2.05 -0.29 2.22 -1.09 -0.86 -4.95 121.20 117.61 1gth s ILE 397 Ca 0.20 0.04 -0.03 0.00 -2.23 0.00 0.00 60.65 58.63 1gth s ILE 397 Cb -0.18 -3.02 0.10 0.00 -1.58 0.00 0.00 42.46 37.78 1gth s ILE 397 CO -0.06 0.00 0.12 -0.69 -1.23 0.00 0.00 174.94 173.08 1gth s VAL 398 N 0.66 0.26 -0.35 2.92 1.01 -1.26 -2.17 120.40 121.46 1gth s VAL 398 Ca 0.70 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 61.61 1gth s VAL 398 Cb -0.49 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 34.70 1gth s VAL 398 CO 0.39 -0.68 0.22 -0.54 0.00 0.00 0.00 175.10 174.48 1gth s LYS 399 N 1.93 3.19 0.00 2.72 -0.14 -1.24 -4.91 119.74 121.28 1gth s LYS 399 Ca 0.09 -0.84 0.00 0.00 -1.36 0.00 0.00 55.97 53.86 1gth s LYS 399 Cb -0.16 -3.75 0.00 0.00 -1.68 0.00 0.00 37.83 32.24 1gth s LYS 399 CO -0.31 -0.55 0.00 0.41 -0.76 0.00 0.00 175.35 174.13 1gth n GLY 400 N 5.05 0.95 0.51 -3.33 0.00 -1.26 -4.49 105.19 102.62 1gth n GLY 400 Ca -0.12 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 43.92 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 1.38 0.34 3.42 -0.02 0.00 -1.26 -4.69 105.19 104.35 1gth n GLY 401 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1gth n GLY 401 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gth s ARG 402 N -0.95 1.25 0.52 1.61 0.52 -1.26 -4.29 118.95 116.34 1gth s ARG 402 Ca 0.00 -1.03 -0.20 0.00 -0.52 0.00 0.00 55.73 53.99 1gth s ARG 402 Cb 0.00 0.44 -0.07 0.00 0.52 0.00 0.00 34.95 35.84 1gth s ARG 402 CO 0.00 -0.49 1.08 -1.50 0.02 0.00 0.00 175.30 174.41 1gth s ILE 403 N -3.92 3.53 0.00 1.52 2.07 0.17 -3.70 121.20 120.87 1gth s ILE 403 Ca 0.13 0.93 0.00 0.00 -1.41 0.00 0.00 60.65 60.31 1gth s ILE 403 Cb 0.01 -3.37 0.00 0.00 0.13 0.00 0.00 42.46 39.23 1gth s ILE 403 CO -0.02 -0.22 0.46 1.33 -1.91 0.00 0.00 174.94 174.58 1gth n VAL 404 N -1.19 0.00 0.00 4.00 0.24 -0.92 -4.64 118.33 115.82 1gth n VAL 404 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 1gth n VAL 404 Cb 0.52 0.72 0.00 0.00 -1.47 0.00 0.00 33.84 33.61 1gth n VAL 404 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1gth n ALA 405 N 0.00 0.00 -3.13 2.33 0.00 -1.18 -3.86 120.51 114.67 1gth n ALA 405 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1gth n ALA 405 Cb 0.52 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.82 1gth n ALA 405 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1gth s VAL 406 N -2.00 0.22 -0.15 0.00 1.01 0.49 -2.02 120.40 117.95 1gth s VAL 406 Ca 0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 61.98 61.80 1gth s VAL 406 Cb 0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 36.38 36.10 1gth s VAL 406 CO 0.00 0.10 0.26 -1.10 0.00 0.00 0.00 175.10 174.36 1gth s GLN 407 N 0.31 4.13 0.37 2.72 -0.21 0.12 -1.71 119.66 125.39 1gth s GLN 407 Ca -0.03 0.05 0.04 0.00 0.02 0.00 0.00 55.36 55.44 1gth s GLN 407 Cb -0.06 -3.38 -0.06 0.00 1.00 0.00 0.00 33.01 30.51 1gth s GLN 407 CO -0.01 0.34 0.05 -0.06 -2.12 0.00 0.00 175.29 173.50 1gth s PHE 408 N 0.16 2.05 -0.00 0.91 0.40 0.12 0.12 117.98 121.74 1gth s PHE 408 Ca 0.16 -0.94 0.02 0.00 -0.60 0.00 0.00 56.93 55.56 1gth s PHE 408 Cb -0.13 -1.40 -0.00 0.00 0.51 0.00 0.00 43.02 42.00 1gth s PHE 408 CO 0.04 0.08 -0.06 0.14 0.70 0.00 0.00 175.22 176.12 1gth s VAL 409 N -3.13 0.43 0.58 -0.44 -7.23 -0.32 0.75 120.40 111.05 1gth s VAL 409 Ca 0.32 -0.26 -0.19 0.00 -1.81 0.00 0.00 61.98 60.04 1gth s VAL 409 Cb 0.08 -0.37 -0.04 0.00 0.56 0.00 0.00 36.38 36.61 1gth s VAL 409 CO 0.15 0.11 1.21 -0.13 -0.31 0.00 0.00 175.10 176.13 1gth s ARG 410 N -0.17 3.02 0.23 4.82 0.52 -1.05 -1.55 118.95 124.77 1gth s ARG 410 Ca 0.02 1.84 0.07 0.00 -0.52 0.00 0.00 55.73 57.14 1gth s ARG 410 Cb -0.02 -1.97 -0.05 0.00 0.52 0.00 0.00 34.95 33.43 1gth s ARG 410 CO -0.00 -1.17 -0.11 0.95 0.02 0.00 0.00 175.30 174.98 1gth s THR 411 N -1.57 1.68 -0.03 0.02 -4.23 -1.05 -1.78 115.64 108.68 1gth s THR 411 Ca 0.77 -2.18 -0.29 0.00 -1.18 0.00 0.00 61.69 58.81 1gth s THR 411 Cb -0.31 -2.17 0.10 0.00 1.34 0.00 0.00 72.50 71.46 1gth s THR 411 CO 0.34 -0.50 0.86 -1.61 -0.54 0.00 0.00 174.62 173.17 1gth s GLU 412 N -3.68 0.84 -0.14 3.99 2.02 -0.40 -4.85 118.70 116.49 1gth s GLU 412 Ca 0.25 -0.16 -0.06 0.00 0.02 0.00 0.00 54.97 55.02 1gth s GLU 412 Cb 0.01 0.39 -0.04 0.00 0.10 0.00 0.00 34.13 34.59 1gth s GLU 412 CO 0.08 -0.34 0.06 -1.14 0.02 0.00 0.00 175.26 173.94 1gth s GLN 413 N -2.53 3.55 0.72 1.61 0.74 -1.26 -0.28 119.66 122.21 1gth s GLN 413 Ca 0.01 -0.32 -0.04 0.00 0.05 0.00 0.00 55.36 55.07 1gth s GLN 413 Cb -0.01 -3.08 0.10 0.00 1.10 0.00 0.00 33.01 31.13 1gth s GLN 413 CO -0.05 0.52 1.00 0.16 -0.55 0.00 0.00 175.29 176.37 1gth s ASP 414 N -0.33 4.47 0.48 6.67 1.47 -0.30 -4.93 116.67 124.20 1gth s ASP 414 Ca 0.09 -0.01 0.19 0.00 1.18 0.00 0.00 52.55 53.99 1gth s ASP 414 Cb -0.12 -0.48 1.20 0.00 -0.34 0.00 0.00 42.92 43.18 1gth s ASP 414 CO 0.02 -1.78 1.99 -0.33 0.68 0.00 0.00 175.17 175.75 1gth h GLU 415 N -0.59 0.20 -0.13 2.11 5.08 -1.99 -2.58 114.58 116.69 1gth h GLU 415 Ca -0.40 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.92 1gth h GLU 415 Cb 1.28 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 1gth h GLU 415 CO 0.47 0.13 -0.00 1.79 -1.00 0.00 0.00 179.01 180.40 1gth h THR 416 N 0.21 1.26 0.00 1.13 1.35 -2.04 -3.47 112.91 111.34 1gth h THR 416 Ca 0.25 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 1gth h THR 416 Cb 0.73 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 1gth h THR 416 CO -0.05 0.24 0.00 0.61 -0.25 0.00 0.00 175.52 176.08 1gth n GLY 417 N -0.27 1.08 3.59 5.82 0.00 -0.97 -5.15 105.19 109.29 1gth n GLY 417 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 1gth n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gth s LYS 418 N 0.00 2.27 -0.16 1.61 1.02 -1.26 -4.92 119.74 118.30 1gth s LYS 418 Ca 0.00 -0.94 -0.09 0.00 0.02 0.00 0.00 55.97 54.96 1gth s LYS 418 Cb 0.00 -2.37 -0.05 0.00 -0.52 0.00 0.00 37.83 34.89 1gth s LYS 418 CO 0.00 0.53 0.15 -1.58 -0.92 0.00 0.00 175.35 173.53 1gth s TRP 419 N -1.17 3.49 0.13 3.18 0.52 -1.26 -1.15 118.94 122.68 1gth s TRP 419 Ca 0.21 0.44 0.08 0.00 0.02 0.00 0.00 56.10 56.84 1gth s TRP 419 Cb -0.11 -2.10 -0.04 0.00 -1.15 0.00 0.00 33.47 30.07 1gth s TRP 419 CO 0.13 0.46 -0.18 -0.80 0.02 0.00 0.00 176.95 176.58 1gth s ASN 420 N -0.17 2.41 -0.29 2.95 0.01 0.62 -4.96 114.94 115.52 1gth s ASN 420 Ca 0.12 -0.78 0.01 0.00 -0.71 0.00 0.00 52.86 51.50 1gth s ASN 420 Cb -0.12 -0.12 0.08 0.00 0.41 0.00 0.00 41.25 41.50 1gth s ASN 420 CO 0.01 -0.03 0.02 -1.61 -1.51 0.00 0.00 177.10 173.98 1gth s GLU 421 N -2.43 1.32 -0.44 -0.60 2.02 -1.26 -1.27 118.70 116.04 1gth s GLU 421 Ca 0.10 -1.28 -0.27 0.00 0.02 0.00 0.00 54.97 53.54 1gth s GLU 421 Cb -0.07 -2.61 -0.03 0.00 0.10 0.00 0.00 34.13 31.53 1gth s GLU 421 CO 0.05 -0.81 1.89 0.34 0.02 0.00 0.00 175.26 176.75 1gth s ASP 422 N 1.31 5.52 0.31 -0.19 2.15 -0.73 -4.85 116.67 120.19 1gth s ASP 422 Ca 0.04 0.96 0.24 0.00 0.43 0.00 0.00 52.55 54.21 1gth s ASP 422 Cb -0.18 -2.52 1.13 0.00 -0.30 0.00 0.00 42.92 41.04 1gth s ASP 422 CO -0.12 -2.07 1.74 -0.33 -0.17 0.00 0.00 175.17 174.22 1gth h GLU 423 N 14.33 0.00 0.12 4.34 5.08 -1.97 -2.84 114.58 133.64 1gth h GLU 423 Ca -0.30 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 57.77 1gth h GLU 423 Cb 1.18 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.45 1gth h GLU 423 CO 1.11 0.00 -1.23 -0.44 -1.00 0.00 0.00 179.01 177.45 1gth h ASP 424 N 0.00 0.65 -1.22 1.42 5.19 -1.97 -3.40 116.42 117.08 1gth h ASP 424 Ca 0.00 -0.63 -0.65 0.00 -0.62 0.00 0.00 57.03 55.13 1gth h ASP 424 Cb 0.23 -0.21 -0.11 0.00 0.18 0.00 0.00 39.33 39.43 1gth h ASP 424 CO 0.00 1.47 1.69 -1.10 -3.12 0.00 0.00 179.24 178.17 1gth s GLN 425 N -2.86 3.78 0.25 3.56 -0.21 -1.07 -4.99 119.66 118.12 1gth s GLN 425 Ca -0.07 -1.62 -0.16 0.00 0.02 0.00 0.00 55.36 53.54 1gth s GLN 425 Cb 0.06 -5.36 -0.08 0.00 1.00 0.00 0.00 33.01 28.63 1gth s GLN 425 CO 0.91 -2.15 0.69 0.96 -2.12 0.00 0.00 175.29 173.57 1gth s ILE 426 N 4.23 4.69 -0.10 1.08 -4.36 -1.26 -2.52 121.20 122.96 1gth s ILE 426 Ca 0.47 1.01 0.03 0.00 -0.26 0.00 0.00 60.65 61.90 1gth s ILE 426 Cb 0.01 -3.72 0.00 0.00 1.25 0.00 0.00 42.46 40.01 1gth s ILE 426 CO -0.03 0.02 -0.21 -0.69 0.24 0.00 0.00 174.94 174.28 1gth s VAL 427 N -1.73 1.86 -0.33 8.37 1.01 0.23 -4.94 120.40 124.88 1gth s VAL 427 Ca 0.47 -0.90 -0.09 0.00 0.00 0.00 0.00 61.98 61.47 1gth s VAL 427 Cb -0.13 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.63 1gth s VAL 427 CO 0.19 0.52 0.14 -2.28 0.00 0.00 0.00 175.10 173.67 1gth s HIS 428 N 0.49 3.20 -0.12 5.22 2.46 -1.26 -0.70 115.29 124.58 1gth s HIS 428 Ca -0.16 -0.94 0.03 0.00 0.47 0.00 0.00 55.06 54.46 1gth s HIS 428 Cb -0.17 -2.34 0.00 0.00 -0.13 0.00 0.00 32.58 29.94 1gth s HIS 428 CO 0.06 -0.59 -0.23 -1.17 -2.47 0.00 0.00 174.74 170.34 1gth s LEU 429 N 1.53 2.13 0.56 8.88 2.96 -0.70 -4.99 118.68 129.05 1gth s LEU 429 Ca 0.02 -0.56 -0.18 0.00 -0.22 0.00 0.00 54.13 53.19 1gth s LEU 429 Cb -0.18 -1.43 -0.05 0.00 0.50 0.00 0.00 46.19 45.03 1gth s LEU 429 CO 0.05 0.13 1.07 -0.75 -1.32 0.00 0.00 176.35 175.53 1gth s LYS 430 N 0.51 3.39 -0.29 1.98 2.20 -1.26 -0.38 119.74 125.89 1gth s LYS 430 Ca -0.14 1.35 -0.26 0.00 -0.36 0.00 0.00 55.97 56.56 1gth s LYS 430 Cb -0.17 -2.03 0.18 0.00 -1.51 0.00 0.00 37.83 34.30 1gth s LYS 430 CO 0.05 -0.77 1.39 0.00 -0.36 0.00 0.00 175.35 175.66 1gth s ALA 431 N -2.17 -2.18 -0.05 3.13 0.00 -1.25 -4.80 121.76 114.43 1gth s ALA 431 Ca 0.67 1.73 0.18 0.00 0.00 0.00 0.00 51.96 54.54 1gth s ALA 431 Cb -0.18 -1.69 -0.27 0.00 0.00 0.00 0.00 23.12 20.98 1gth s ALA 431 CO 0.31 -0.14 0.34 -0.25 0.00 0.00 0.00 175.76 176.02 1gth n ASP 432 N 1.42 0.76 -3.87 0.00 9.92 0.88 -3.10 116.55 122.56 1gth n ASP 432 Ca -0.09 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.06 1gth n ASP 432 Cb 0.57 1.67 -0.13 0.00 -0.64 0.00 0.00 41.12 42.59 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 -3.12 0.02 -0.05 2.53 1.01 -0.95 -4.61 120.40 115.24 1gth s VAL 433 Ca -0.07 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.73 1gth s VAL 433 Cb 0.11 -0.15 0.02 0.00 0.00 0.00 0.00 36.38 36.35 1gth s VAL 433 CO 0.76 -0.11 -0.07 -0.69 0.00 0.00 0.00 175.10 174.98 1gth s VAL 434 N -0.32 0.75 -0.13 2.92 1.01 0.28 -0.57 120.40 124.33 1gth s VAL 434 Ca -0.04 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1gth s VAL 434 Cb -0.03 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.65 1gth s VAL 434 CO 0.00 0.27 -0.12 -0.63 0.00 0.00 0.00 175.10 174.62 1gth s ILE 435 N 0.78 1.36 -0.09 2.22 1.01 0.49 -0.64 121.20 126.34 1gth s ILE 435 Ca -0.13 -0.50 -0.16 0.00 0.00 0.00 0.00 60.65 59.86 1gth s ILE 435 Cb -0.15 -1.31 -0.05 0.00 0.01 0.00 0.00 42.46 40.97 1gth s ILE 435 CO 0.02 0.42 0.41 -0.94 0.00 0.00 0.00 174.94 174.85 1gth s SER 436 N 1.57 6.68 -0.50 3.58 1.04 0.08 -0.62 113.70 125.53 1gth s SER 436 Ca 0.05 0.80 0.08 0.00 0.48 0.00 0.00 55.95 57.36 1gth s SER 436 Cb -0.13 -2.25 0.31 0.00 0.10 0.00 0.00 66.02 64.06 1gth s SER 436 CO -0.10 0.14 0.78 0.00 0.98 0.00 0.00 173.24 175.04 1gth n ALA 437 N 3.00 3.42 1.45 5.32 0.00 -0.50 0.18 120.51 133.38 1gth n ALA 437 Ca -0.10 -4.13 0.13 0.00 0.00 0.00 0.00 53.44 49.34 1gth n ALA 437 Cb 0.52 -0.83 0.50 0.00 0.00 0.00 0.00 19.45 19.64 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 0.35 0.05 0.00 0.00 0.99 -1.26 -4.63 117.46 112.95 1gth n PHE 438 Ca 0.28 -0.02 0.00 0.00 -0.00 0.00 0.00 57.45 57.70 1gth n PHE 438 Cb 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.98 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 1.16 -0.35 3.15 1.37 0.00 -1.26 -4.79 105.19 104.46 1gth n GLY 439 Ca 0.18 -2.23 -0.09 0.00 0.00 0.00 0.00 46.02 43.88 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 0.74 0.37 1.61 0.01 -1.26 -1.45 113.70 109.72 1gth s SER 440 Ca 0.00 -1.07 -0.08 0.00 1.31 0.00 0.00 55.95 56.11 1gth s SER 440 Cb 0.00 0.18 0.03 0.00 0.21 0.00 0.00 66.02 66.44 1gth s SER 440 CO 0.00 -0.58 0.63 0.68 0.41 0.00 0.00 173.24 174.38 1gth s VAL 441 N -3.83 0.00 -0.26 3.43 -7.23 0.26 -4.75 120.40 108.02 1gth s VAL 441 Ca 0.14 -1.32 0.03 0.00 -1.81 0.00 0.00 61.98 59.02 1gth s VAL 441 Cb 0.07 -2.79 0.06 0.00 0.56 0.00 0.00 36.38 34.28 1gth s VAL 441 CO -0.04 0.00 -0.09 -0.22 -0.31 0.00 0.00 175.10 174.44 1gth s LEU 442 N -3.17 3.44 0.00 1.32 2.96 -1.26 -1.42 118.68 120.54 1gth s LEU 442 Ca 0.24 -1.44 0.00 0.00 -0.22 0.00 0.00 54.13 52.71 1gth s LEU 442 Cb -0.03 -1.50 0.00 0.00 0.50 0.00 0.00 46.19 45.16 1gth s LEU 442 CO 0.17 -0.21 0.00 0.54 -1.32 0.00 0.00 176.35 175.52 1gth n ARG 443 N 4.45 1.22 -1.33 1.98 1.74 -1.26 -5.00 116.66 118.45 1gth n ARG 443 Ca -0.12 0.00 -0.59 0.00 -0.77 0.00 0.00 57.85 56.37 1gth n ARG 443 Cb 0.42 -0.92 -0.11 0.00 -1.02 0.00 0.00 32.46 30.84 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 -2.12 1.10 0.01 0.55 -0.08 -1.26 -4.81 116.55 109.94 1gth n ASP 444 Ca 0.00 0.67 0.05 0.00 -1.51 0.00 0.00 54.79 54.00 1gth n ASP 444 Cb 0.42 -0.98 0.45 0.00 2.34 0.00 0.00 41.12 43.35 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 9.38 0.49 -0.06 -0.67 0.11 -1.98 -1.38 132.00 137.89 1gth h PRO 445 Ca -0.16 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.86 1gth h PRO 445 Cb 1.39 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1gth h PRO 445 CO 1.07 0.32 -0.24 0.87 -0.21 0.00 0.00 178.00 179.81 1gth h LYS 446 N 0.50 0.10 0.06 1.05 1.57 -1.98 -0.52 116.57 117.35 1gth h LYS 446 Ca 0.16 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.78 1gth h LYS 446 Cb 0.02 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1gth h LYS 446 CO -0.04 0.34 -0.64 0.28 -0.57 0.00 0.00 179.45 178.82 1gth h VAL 447 N 0.09 1.46 -0.68 0.50 2.07 -1.54 0.91 116.25 119.06 1gth h VAL 447 Ca 0.02 -2.38 0.06 0.00 0.82 0.00 0.00 66.70 65.21 1gth h VAL 447 Cb 0.48 3.06 -0.04 0.00 -1.52 0.00 0.00 31.29 33.27 1gth h VAL 447 CO 0.03 0.61 0.45 0.11 0.02 0.00 0.00 177.57 178.79 1gth h LYS 448 N -0.72 0.70 0.00 1.57 1.57 -1.24 -1.43 116.57 117.02 1gth h LYS 448 Ca -0.14 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.51 1gth h LYS 448 Cb 1.34 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 1gth h LYS 448 CO 0.02 0.47 -0.44 1.49 -0.57 0.00 0.00 179.45 180.42 1gth h GLU 449 N 0.72 0.00 0.00 3.15 4.81 -1.21 -2.42 114.58 119.64 1gth h GLU 449 Ca 0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1gth h GLU 449 Cb 0.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1gth h GLU 449 CO -0.09 0.44 0.00 0.00 -0.73 0.00 0.00 179.01 178.63 1gth n ALA 450 N -2.31 1.70 0.82 2.92 0.00 -0.54 -1.98 120.51 121.12 1gth n ALA 450 Ca -0.00 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.52 1gth n ALA 450 Cb 0.55 -1.27 0.27 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.62 2.68 -4.77 0.00 4.77 -0.91 -1.85 117.00 115.30 1gth n LEU 451 Ca 0.03 -1.07 -0.41 0.00 -0.03 0.00 0.00 56.01 54.53 1gth n LEU 451 Cb 0.19 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1gth n LEU 451 CO 0.15 0.54 1.10 -0.55 -1.33 0.00 0.00 177.39 177.30 1gth s SER 452 N -1.66 6.28 -0.43 -1.43 0.15 -0.84 -1.24 113.70 114.53 1gth s SER 452 Ca 0.35 2.96 0.04 0.00 0.70 0.00 0.00 55.95 60.01 1gth s SER 452 Cb 0.21 -2.66 0.57 0.00 -1.71 0.00 0.00 66.02 62.42 1gth s SER 452 CO 0.30 -0.90 1.76 -0.81 1.20 0.00 0.00 173.24 174.78 1gth n PRO 453 N 0.33 2.30 -1.88 5.44 -0.04 -1.26 -4.64 135.00 135.24 1gth n PRO 453 Ca 0.02 -3.20 -0.38 0.00 -0.04 0.00 0.00 63.50 59.89 1gth n PRO 453 Cb 0.40 -2.10 0.03 0.00 -0.04 0.00 0.00 33.50 31.79 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 -3.67 2.29 0.25 0.52 -4.36 -0.37 -4.94 121.20 110.91 1gth s ILE 454 Ca 0.54 0.22 -0.30 0.00 -0.26 0.00 0.00 60.65 60.86 1gth s ILE 454 Cb 0.46 -3.12 -0.09 0.00 1.25 0.00 0.00 42.46 40.96 1gth s ILE 454 CO 0.05 0.01 1.08 -0.75 0.24 0.00 0.00 174.94 175.56 1gth s LYS 455 N -2.74 4.66 0.14 0.37 2.20 -1.26 -4.98 119.74 118.13 1gth s LYS 455 Ca 0.67 1.74 0.06 0.00 -0.36 0.00 0.00 55.97 58.09 1gth s LYS 455 Cb -0.39 -3.22 -0.04 0.00 -1.51 0.00 0.00 37.83 32.67 1gth s LYS 455 CO 0.47 0.23 0.00 -0.06 -0.36 0.00 0.00 175.35 175.63 1gth s PHE 456 N -0.95 2.91 0.17 4.03 0.40 -1.26 -1.20 117.98 122.07 1gth s PHE 456 Ca 0.45 -0.09 0.01 0.00 -0.60 0.00 0.00 56.93 56.70 1gth s PHE 456 Cb -0.31 -1.44 0.03 0.00 0.51 0.00 0.00 43.02 41.81 1gth s PHE 456 CO 0.38 0.50 0.23 0.27 0.70 0.00 0.00 175.22 177.30 1gth n ASN 457 N 0.16 0.46 0.29 1.36 0.23 0.17 -4.78 115.26 113.15 1gth n ASN 457 Ca -0.10 -1.35 0.15 0.00 -0.53 0.00 0.00 54.58 52.75 1gth n ASN 457 Cb 0.54 -0.14 0.90 0.00 -2.08 0.00 0.00 39.78 39.00 1gth n ASN 457 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 1gth h ARG 458 N 0.00 0.00 -0.01 -3.83 2.43 -2.01 -0.49 114.38 110.47 1gth h ARG 458 Ca -0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1gth h ARG 458 Cb 0.32 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1gth h ARG 458 CO 0.10 0.02 0.00 0.91 -1.51 0.00 0.00 179.97 179.48 1gth n TRP 459 N -3.78 0.01 -2.67 2.20 8.01 -1.26 -4.88 117.44 115.07 1gth n TRP 459 Ca -0.03 -0.01 -0.13 0.00 -1.31 0.00 0.00 57.50 56.02 1gth n TRP 459 Cb 0.10 0.00 0.02 0.00 -2.01 0.00 0.00 31.31 29.42 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 -0.62 -4.25 -4.21 -0.99 8.00 -0.19 -5.03 116.55 109.26 1gth n ASP 460 Ca 0.21 -0.16 -0.17 0.00 0.71 0.00 0.00 54.79 55.38 1gth n ASP 460 Cb 0.18 -3.16 -0.11 0.00 -0.02 0.00 0.00 41.12 38.01 1gth n ASP 460 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1gth s LEU 461 N -4.12 2.38 0.24 0.64 1.43 -1.26 -4.90 118.68 113.09 1gth s LEU 461 Ca 0.16 -0.77 -0.32 0.00 -1.03 0.00 0.00 54.13 52.18 1gth s LEU 461 Cb -0.07 -0.49 -0.13 0.00 0.03 0.00 0.00 46.19 45.53 1gth s LEU 461 CO 0.20 -0.15 1.58 -0.81 0.23 0.00 0.00 176.35 177.40 1gth n PRO 462 N 0.68 2.47 -3.00 1.29 -0.04 -1.26 -0.66 135.00 134.48 1gth n PRO 462 Ca -0.17 0.88 -0.40 0.00 -0.04 0.00 0.00 63.50 63.78 1gth n PRO 462 Cb 0.57 -2.65 -0.05 0.00 -0.04 0.00 0.00 33.50 31.32 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 0.20 4.47 0.06 0.54 2.56 -0.34 -4.77 118.70 121.41 1gth s GLU 463 Ca 0.70 1.00 0.01 0.00 0.00 0.00 0.00 54.97 56.68 1gth s GLU 463 Cb -0.57 -3.40 -0.03 0.00 2.00 0.00 0.00 34.13 32.13 1gth s GLU 463 CO 0.43 0.19 -0.05 0.14 -0.56 0.00 0.00 175.26 175.41 1gth s VAL 464 N 0.30 0.40 -0.07 3.70 -7.23 -1.26 -4.10 120.40 112.14 1gth s VAL 464 Ca 0.39 -1.55 -0.30 0.00 -1.81 0.00 0.00 61.98 58.71 1gth s VAL 464 Cb -0.19 -1.17 -0.03 0.00 0.56 0.00 0.00 36.38 35.54 1gth s VAL 464 CO 0.21 -0.76 1.27 -0.62 -0.31 0.00 0.00 175.10 174.90 1gth s ASP 465 N -2.44 6.97 0.57 4.85 2.15 -0.63 -4.89 116.67 123.24 1gth s ASP 465 Ca 0.01 1.87 0.34 0.00 0.43 0.00 0.00 52.55 55.20 1gth s ASP 465 Cb 0.01 -2.55 1.85 0.00 -0.30 0.00 0.00 42.92 41.93 1gth s ASP 465 CO -0.05 -0.66 2.04 1.55 -0.17 0.00 0.00 175.17 177.87 1gth h PRO 466 N 7.77 0.00 0.08 4.34 0.13 -1.97 0.57 132.00 142.92 1gth h PRO 466 Ca -0.33 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.43 1gth h PRO 466 Cb 1.15 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 1gth h PRO 466 CO 0.91 0.00 -2.07 -1.91 -0.23 0.00 0.00 178.00 174.69 1gth n GLU 467 N -2.78 0.71 0.01 0.86 4.07 -1.26 -4.56 120.64 117.68 1gth n GLU 467 Ca -0.02 0.26 0.10 0.00 -0.06 0.00 0.00 57.16 57.45 1gth n GLU 467 Cb 0.15 -1.65 -0.14 0.00 -0.06 0.00 0.00 31.44 29.73 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 -3.56 0.15 -1.26 6.31 -2.24 -1.08 -4.86 114.28 107.74 1gth n THR 468 Ca -0.37 -0.52 -0.09 0.00 -2.27 0.00 0.00 64.05 60.80 1gth n THR 468 Cb 0.99 -0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 69.11 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 -2.35 -0.86 -3.24 -0.78 2.81 0.20 -4.42 117.12 108.48 1gth n MET 469 Ca -0.04 0.77 -0.39 0.00 -1.81 0.00 0.00 57.70 56.23 1gth n MET 469 Cb 0.59 -4.72 -0.06 0.00 -0.71 0.00 0.00 33.22 28.32 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 -2.56 4.25 0.44 0.03 0.74 -1.26 -1.29 119.66 120.02 1gth s GLN 470 Ca 0.00 0.75 -0.05 0.00 0.05 0.00 0.00 55.36 56.11 1gth s GLN 470 Cb 0.00 -3.27 0.10 0.00 1.10 0.00 0.00 33.01 30.94 1gth s GLN 470 CO 0.00 0.55 0.61 0.25 -0.55 0.00 0.00 175.29 176.15 1gth n THR 471 N 2.03 0.00 0.31 -0.34 -2.24 0.20 -1.61 114.28 112.64 1gth n THR 471 Ca -0.09 -0.62 0.20 0.00 -2.27 0.00 0.00 64.05 61.27 1gth n THR 471 Cb 0.51 -1.49 1.01 0.00 -2.10 0.00 0.00 70.33 68.25 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 -0.64 0.00 -3.65 3.42 4.64 -1.85 -3.37 113.55 112.10 1gth h SER 472 Ca -0.20 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.43 1gth h SER 472 Cb 0.61 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 62.50 1gth h SER 472 CO 0.17 0.00 -0.48 -1.61 -0.87 0.00 0.00 176.83 174.04 1gth s GLU 473 N -3.94 3.30 0.35 4.77 0.41 -1.26 -4.98 118.70 117.35 1gth s GLU 473 Ca -0.03 -0.78 0.13 0.00 -0.41 0.00 0.00 54.97 53.89 1gth s GLU 473 Cb 0.11 -3.82 1.12 0.00 -1.78 0.00 0.00 34.13 29.76 1gth s GLU 473 CO 0.44 -0.54 1.58 -1.35 -0.49 0.00 0.00 175.26 174.90 1gth h PRO 474 N 8.51 0.01 -0.03 0.39 0.11 -1.98 0.32 132.00 139.33 1gth h PRO 474 Ca -0.30 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1gth h PRO 474 Cb 1.14 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1gth h PRO 474 CO 0.66 0.01 0.00 -2.67 -0.21 0.00 0.00 178.00 175.78 1gth n TRP 475 N -5.35 0.02 -4.53 0.65 4.27 -1.26 -4.82 117.44 106.43 1gth n TRP 475 Ca 0.32 -0.01 -0.33 0.00 -3.89 0.00 0.00 57.50 53.59 1gth n TRP 475 Cb 1.08 0.00 -0.15 0.00 -1.36 0.00 0.00 31.31 30.88 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 -1.98 2.76 0.27 -1.67 1.01 0.10 -1.28 120.40 119.61 1gth s VAL 476 Ca 0.40 -0.74 0.12 0.00 0.00 0.00 0.00 61.98 61.76 1gth s VAL 476 Cb 0.20 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 1gth s VAL 476 CO 0.33 0.51 -0.20 -0.36 0.00 0.00 0.00 175.10 175.38 1gth s PHE 477 N 0.78 2.26 0.03 5.22 0.40 0.64 -0.63 117.98 126.68 1gth s PHE 477 Ca -0.05 -0.35 -0.06 0.00 -0.60 0.00 0.00 56.93 55.86 1gth s PHE 477 Cb -0.15 -1.00 -0.01 0.00 0.51 0.00 0.00 43.02 42.37 1gth s PHE 477 CO 0.01 0.67 0.12 0.00 0.70 0.00 0.00 175.22 176.72 1gth s ALA 478 N -2.43 -0.18 0.15 5.36 0.00 -0.41 0.38 121.76 124.63 1gth s ALA 478 Ca 0.28 -0.41 -0.25 0.00 0.00 0.00 0.00 51.96 51.59 1gth s ALA 478 Cb -0.05 0.22 0.07 0.00 0.00 0.00 0.00 23.12 23.35 1gth s ALA 478 CO 0.14 -0.30 0.96 0.20 0.00 0.00 0.00 175.76 176.76 1gth s GLY 479 N -1.93 -0.24 0.00 0.00 0.00 -0.83 -4.76 107.32 99.55 1gth s GLY 479 Ca -0.08 0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.81 1gth s GLY 479 CO -0.03 0.02 0.00 0.61 0.00 0.00 0.00 173.10 173.70 1gth n GLY 480 N -0.46 -1.21 0.37 0.20 0.00 -1.26 -4.22 105.19 98.60 1gth n GLY 480 Ca -0.06 -1.52 0.12 0.00 0.00 0.00 0.00 46.02 44.56 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 1.56 0.60 -0.19 1.61 5.19 -1.92 -1.97 116.42 121.30 1gth h ASP 481 Ca 0.00 0.03 0.05 0.00 -0.62 0.00 0.00 57.03 56.50 1gth h ASP 481 Cb 0.00 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.41 1gth h ASP 481 CO 0.00 0.32 0.15 -0.29 -3.12 0.00 0.00 179.24 176.29 1gth h ILE 482 N 0.64 0.79 0.00 0.35 6.09 -1.73 -0.77 117.51 122.87 1gth h ILE 482 Ca 0.41 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.90 1gth h ILE 482 Cb 0.69 0.89 -0.00 0.00 0.47 0.00 0.00 36.82 38.87 1gth h ILE 482 CO -0.17 0.00 -0.13 0.58 -3.07 0.00 0.00 178.15 175.36 1gth h VAL 483 N 0.00 0.07 0.00 2.19 2.07 -1.57 -3.39 116.25 115.62 1gth h VAL 483 Ca 0.09 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.50 1gth h VAL 483 Cb 0.39 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1gth h VAL 483 CO -0.00 0.04 0.00 0.61 0.02 0.00 0.00 177.57 178.24 1gth n GLY 484 N 1.12 0.78 0.13 2.17 0.00 -0.30 -4.91 105.19 104.18 1gth n GLY 484 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.34 0.61 -1.92 1.61 2.81 -1.26 -4.96 117.12 111.67 1gth n MET 485 Ca 0.00 0.30 -0.40 0.00 -1.81 0.00 0.00 57.70 55.80 1gth n MET 485 Cb 0.00 -1.56 0.01 0.00 -0.71 0.00 0.00 33.22 30.96 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 -2.49 3.25 0.00 3.04 0.00 -1.26 -4.92 121.76 119.38 1gth s ALA 486 Ca -0.35 1.36 0.00 0.00 0.00 0.00 0.00 51.96 52.96 1gth s ALA 486 Cb 0.12 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1gth s ALA 486 CO 0.55 -1.03 0.34 0.09 0.00 0.00 0.00 175.76 175.71 1gth n ASN 487 N -0.05 0.65 -4.08 0.00 5.03 -1.26 -4.73 115.26 110.82 1gth n ASN 487 Ca 0.04 -1.05 -0.13 0.00 0.87 0.00 0.00 54.58 54.32 1gth n ASN 487 Cb 0.43 0.00 -0.10 0.00 -1.02 0.00 0.00 39.78 39.09 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 -0.05 0.00 0.08 3.41 -4.23 -1.26 -5.05 115.64 108.54 1gth s THR 488 Ca 0.00 -1.97 -0.18 0.00 -1.18 0.00 0.00 61.69 58.36 1gth s THR 488 Cb 0.00 -2.49 -0.09 0.00 1.34 0.00 0.00 72.50 71.27 1gth s THR 488 CO 0.00 0.00 1.50 0.74 -0.54 0.00 0.00 174.62 176.32 1gth h THR 489 N 2.54 1.27 -0.89 3.99 2.02 -1.98 -2.37 112.91 117.49 1gth h THR 489 Ca -0.34 -0.96 -0.02 0.00 0.77 0.00 0.00 66.41 65.86 1gth h THR 489 Cb 1.25 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 69.02 1gth h THR 489 CO 0.50 0.30 0.47 1.62 0.37 0.00 0.00 175.52 178.78 1gth h VAL 490 N 0.21 1.26 -0.08 3.16 3.04 -1.96 0.03 116.25 121.91 1gth h VAL 490 Ca 0.07 -0.67 -0.10 0.00 -1.01 0.00 0.00 66.70 64.99 1gth h VAL 490 Cb 0.45 0.08 -0.01 0.00 -2.01 0.00 0.00 31.29 29.79 1gth h VAL 490 CO 0.02 0.30 -0.42 -0.33 -1.01 0.00 0.00 177.57 176.13 1gth h GLU 491 N 1.25 0.17 -0.25 4.17 5.08 -1.91 -0.79 114.58 122.30 1gth h GLU 491 Ca 0.31 -0.08 -0.17 0.00 -1.00 0.00 0.00 59.36 58.42 1gth h GLU 491 Cb 0.05 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1gth h GLU 491 CO -0.05 0.56 -0.53 0.77 -1.00 0.00 0.00 179.01 178.76 1gth h SER 492 N 0.14 0.83 -0.64 1.42 0.02 -0.85 -1.07 113.55 113.41 1gth h SER 492 Ca 0.01 -0.44 -0.05 0.00 -0.84 0.00 0.00 61.79 60.48 1gth h SER 492 Cb 0.80 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.08 1gth h SER 492 CO 0.06 1.20 0.21 0.58 -1.14 0.00 0.00 176.83 177.74 1gth h VAL 493 N 0.58 1.25 -0.70 2.27 2.07 -0.70 -2.57 116.25 118.44 1gth h VAL 493 Ca 0.02 -0.83 -0.06 0.00 0.82 0.00 0.00 66.70 66.65 1gth h VAL 493 Cb 1.11 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1gth h VAL 493 CO 0.11 0.32 0.22 -1.13 0.02 0.00 0.00 177.57 177.11 1gth h ASN 494 N 0.92 1.02 -0.43 0.57 -1.24 -0.94 -1.19 115.58 114.28 1gth h ASN 494 Ca 0.21 -0.21 0.06 0.00 0.71 0.00 0.00 56.30 57.07 1gth h ASN 494 Cb 0.28 -0.27 -0.05 0.00 0.73 0.00 0.00 38.32 39.01 1gth h ASN 494 CO -0.01 0.95 0.12 0.44 -1.29 0.00 0.00 177.43 177.65 1gth h ASP 495 N 1.03 0.08 -0.20 1.15 3.32 -0.88 0.66 116.42 121.59 1gth h ASP 495 Ca 0.23 0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.26 1gth h ASP 495 Cb 0.30 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1gth h ASP 495 CO -0.01 0.08 -0.12 1.23 -1.72 0.00 0.00 179.24 178.70 1gth h GLY 496 N 0.27 0.63 0.82 2.75 0.00 -1.18 -0.13 103.07 106.22 1gth h GLY 496 Ca 0.21 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 1gth h GLY 496 CO -0.24 0.41 0.01 1.70 0.00 0.00 0.00 176.54 178.42 1gth h LYS 497 N 0.53 0.31 -0.20 4.80 3.64 -0.07 -0.68 116.57 124.91 1gth h LYS 497 Ca 0.10 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1gth h LYS 497 Cb 0.53 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1gth h LYS 497 CO 0.03 0.50 0.13 0.37 -2.27 0.00 0.00 179.45 178.21 1gth h GLN 498 N 0.08 0.26 -0.68 1.90 5.75 0.52 -2.95 115.11 119.99 1gth h GLN 498 Ca 0.05 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.49 1gth h GLN 498 Cb 0.35 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.82 1gth h GLN 498 CO 0.01 0.18 0.25 0.00 -2.65 0.00 0.00 178.83 176.62 1gth h ALA 499 N 1.06 1.16 -0.94 3.38 0.00 -0.95 -3.07 119.26 119.90 1gth h ALA 499 Ca 0.07 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 54.93 1gth h ALA 499 Cb -0.02 -0.27 -0.09 0.00 0.00 0.00 0.00 17.79 17.41 1gth h ALA 499 CO -0.02 0.60 0.56 0.66 0.00 0.00 0.00 179.25 181.05 1gth h SER 500 N 0.99 0.78 -0.30 0.00 4.64 -0.94 0.46 113.55 119.19 1gth h SER 500 Ca 0.23 0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.58 1gth h SER 500 Cb 0.22 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1gth h SER 500 CO -0.02 0.39 0.05 -0.25 -0.87 0.00 0.00 176.83 176.12 1gth h TRP 501 N 0.85 0.53 0.00 4.77 2.91 -1.57 -1.62 115.95 121.81 1gth h TRP 501 Ca 0.48 -0.07 -0.07 0.00 1.13 0.00 0.00 58.89 60.36 1gth h TRP 501 Cb 0.56 -0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 29.06 1gth h TRP 501 CO -0.03 0.59 -0.33 1.88 -1.03 0.00 0.00 178.44 179.52 1gth h TYR 502 N 0.31 0.00 -0.43 2.65 -1.99 -1.50 -0.72 116.97 115.30 1gth h TYR 502 Ca 0.09 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.67 1gth h TYR 502 Cb 0.35 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.07 1gth h TYR 502 CO 0.02 0.33 -0.32 0.82 -0.00 0.00 0.00 178.16 179.01 1gth h ILE 503 N 0.00 1.27 -0.10 -2.88 2.04 -0.81 0.10 117.51 117.13 1gth h ILE 503 Ca -0.00 -1.49 -0.00 0.00 1.00 0.00 0.00 64.86 64.37 1gth h ILE 503 Cb 0.99 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 1gth h ILE 503 CO 0.04 0.51 0.06 -0.74 0.00 0.00 0.00 178.15 178.02 1gth h HIS 504 N 0.81 0.14 -0.48 1.37 2.76 -0.94 0.40 115.15 119.20 1gth h HIS 504 Ca 0.08 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.25 1gth h HIS 504 Cb 0.91 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.80 1gth h HIS 504 CO 0.06 0.13 0.30 -0.22 -1.30 0.00 0.00 177.93 176.90 1gth h LYS 505 N 0.11 0.65 0.37 5.26 3.64 -0.94 -1.10 116.57 124.54 1gth h LYS 505 Ca 0.04 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1gth h LYS 505 Cb 0.03 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1gth h LYS 505 CO -0.01 0.46 -0.18 -0.92 -2.27 0.00 0.00 179.45 176.54 1gth h TYR 506 N 0.65 -0.46 -0.12 1.91 3.20 -0.50 -1.85 116.97 119.80 1gth h TYR 506 Ca 0.17 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.06 1gth h TYR 506 Cb -0.03 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 1gth h TYR 506 CO -0.03 -0.27 -0.07 0.82 -1.64 0.00 0.00 178.16 176.97 1gth h ILE 507 N -0.51 0.79 -0.81 1.81 2.04 -0.79 -1.42 117.51 118.61 1gth h ILE 507 Ca -0.05 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.89 1gth h ILE 507 Cb 0.39 0.79 -0.07 0.00 -0.74 0.00 0.00 36.82 37.19 1gth h ILE 507 CO 0.08 0.00 0.47 1.56 0.00 0.00 0.00 178.15 180.27 1gth h GLN 508 N -0.06 0.79 -0.81 2.37 1.08 -1.17 -1.00 115.11 116.31 1gth h GLN 508 Ca 0.07 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 1gth h GLN 508 Cb 0.17 -0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 27.38 1gth h GLN 508 CO -0.16 0.52 0.44 0.00 -0.95 0.00 0.00 178.83 178.69 1gth h ALA 509 N 1.43 1.26 0.00 3.87 0.00 -0.79 0.68 119.26 125.71 1gth h ALA 509 Ca 0.38 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1gth h ALA 509 Cb 0.31 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1gth h ALA 509 CO -0.23 0.60 -0.03 1.96 0.00 0.00 0.00 179.25 181.56 1gth h GLN 510 N 1.13 0.00 -0.53 0.00 1.08 -0.12 -0.26 115.11 116.41 1gth h GLN 510 Ca 0.28 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.48 1gth h GLN 510 Cb 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 1gth h GLN 510 CO -0.05 0.03 0.00 0.66 -0.95 0.00 0.00 178.83 178.52 1gth n TYR 511 N -3.32 1.48 -1.19 2.96 4.02 -0.48 -4.94 117.16 115.69 1gth n TYR 511 Ca -0.02 -0.69 -0.07 0.00 -0.01 0.00 0.00 57.90 57.11 1gth n TYR 511 Cb 0.15 -0.32 -0.03 0.00 -0.02 0.00 0.00 39.34 39.12 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 0.60 0.89 3.50 2.72 0.00 -0.11 -5.01 105.19 107.77 1gth n GLY 512 Ca 0.24 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.22 2.73 0.42 4.61 0.00 0.11 -4.98 121.76 122.43 1gth s ALA 513 Ca 0.00 -1.43 0.08 0.00 0.00 0.00 0.00 51.96 50.60 1gth s ALA 513 Cb 0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 1gth s ALA 513 CO 0.00 0.53 0.35 -1.54 0.00 0.00 0.00 175.76 175.10 1gth s SER 514 N -2.41 4.95 0.17 0.00 1.04 -1.26 -2.42 113.70 113.76 1gth s SER 514 Ca 0.20 -0.81 0.06 0.00 0.48 0.00 0.00 55.95 55.89 1gth s SER 514 Cb -0.10 -0.53 -0.04 0.00 0.10 0.00 0.00 66.02 65.45 1gth s SER 514 CO 0.11 -0.65 -0.12 0.68 0.98 0.00 0.00 173.24 174.24 1gth s VAL 515 N -2.50 1.42 0.39 5.02 -7.23 -1.26 -4.98 120.40 111.25 1gth s VAL 515 Ca 0.47 -2.08 -0.25 0.00 -1.81 0.00 0.00 61.98 58.31 1gth s VAL 515 Cb -0.02 -1.89 -0.12 0.00 0.56 0.00 0.00 36.38 34.91 1gth s VAL 515 CO 0.27 -0.65 0.86 -1.54 -0.31 0.00 0.00 175.10 173.73 1gth n SER 516 N -0.18 0.56 0.10 4.85 3.41 -1.26 -4.86 113.62 116.24 1gth n SER 516 Ca -0.10 1.03 0.00 0.00 -0.26 0.00 0.00 58.87 59.54 1gth n SER 516 Cb 0.60 -1.26 0.32 0.00 -0.26 0.00 0.00 64.21 63.61 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 1.38 1.34 -2.86 7.33 0.00 -2.06 -3.41 119.26 120.98 1gth h ALA 517 Ca -0.42 -0.28 -0.60 0.00 0.00 0.00 0.00 54.91 53.61 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 0.56 0.45 -0.17 0.21 0.00 0.00 0.00 179.25 180.30 1gth s LYS 518 N -4.53 4.21 0.15 0.00 2.20 -1.26 -5.03 119.74 115.48 1gth s LYS 518 Ca -0.05 0.26 -0.34 0.00 -0.36 0.00 0.00 55.97 55.48 1gth s LYS 518 Cb 0.15 -3.52 -0.15 0.00 -1.51 0.00 0.00 37.83 32.80 1gth s LYS 518 CO 0.75 -0.01 1.49 -2.30 -0.36 0.00 0.00 175.35 174.92 1gth n PRO 519 N 4.34 1.84 -3.15 4.03 -0.02 -1.26 -4.94 135.00 135.84 1gth n PRO 519 Ca -0.08 0.66 -0.24 0.00 -2.02 0.00 0.00 63.50 61.83 1gth n PRO 519 Cb 0.51 -2.38 -0.05 0.00 -0.02 0.00 0.00 33.50 31.56 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 3.03 1.99 -2.31 -0.52 1.02 -1.26 -5.07 120.64 117.52 1gth n GLU 520 Ca 0.17 -4.09 -0.42 0.00 -0.02 0.00 0.00 57.16 52.79 1gth n GLU 520 Cb 0.26 -1.91 -0.03 0.00 -0.02 0.00 0.00 31.44 29.74 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 -2.60 4.36 0.80 -4.62 1.43 -1.26 -4.98 118.68 111.81 1gth s LEU 521 Ca 0.42 2.14 -0.12 0.00 -1.03 0.00 0.00 54.13 55.54 1gth s LEU 521 Cb 0.26 -3.58 0.08 0.00 0.03 0.00 0.00 46.19 42.98 1gth s LEU 521 CO -0.09 -0.57 1.15 -2.84 0.23 0.00 0.00 176.35 174.23 1gth s PRO 522 N 1.22 1.83 0.64 1.29 0.02 -1.26 -5.05 135.00 133.68 1gth s PRO 522 Ca 0.61 1.52 -0.08 0.00 0.02 0.00 0.00 61.00 63.08 1gth s PRO 522 Cb -0.32 -1.82 0.14 0.00 0.02 0.00 0.00 34.50 32.52 1gth s PRO 522 CO 0.29 -2.02 0.87 1.28 -0.33 0.00 0.00 177.00 177.08 1gth n LEU 523 N -3.40 0.00 -4.73 -5.54 4.77 -1.26 -4.96 117.00 101.88 1gth n LEU 523 Ca 0.12 -1.18 -0.37 0.00 -0.03 0.00 0.00 56.01 54.55 1gth n LEU 523 Cb 0.52 -0.64 -0.06 0.00 -2.33 0.00 0.00 43.42 40.91 1gth n LEU 523 CO 0.49 -1.07 0.12 0.12 -1.33 0.00 0.00 177.39 175.72 1gth s PHE 524 N -2.76 3.51 0.12 -1.77 5.36 -1.26 -4.91 117.98 116.26 1gth s PHE 524 Ca 0.51 0.81 0.07 0.00 -0.96 0.00 0.00 56.93 57.36 1gth s PHE 524 Cb -0.02 -2.48 -0.04 0.00 -0.34 0.00 0.00 43.02 40.14 1gth s PHE 524 CO 0.35 0.21 -0.16 0.71 -1.46 0.00 0.00 175.22 174.87 1gth s TYR 525 N 0.51 1.51 0.23 10.12 1.51 -1.26 -4.87 117.35 125.11 1gth s TYR 525 Ca 0.23 -0.50 -0.01 0.00 -1.01 0.00 0.00 57.07 55.79 1gth s TYR 525 Cb -0.15 -0.80 -0.03 0.00 -0.11 0.00 0.00 41.96 40.87 1gth s TYR 525 CO 0.09 0.17 0.20 0.95 -1.11 0.00 0.00 175.55 175.85 1gth s THR 526 N -1.76 0.00 0.61 -0.71 -4.23 -1.26 -1.37 115.64 106.91 1gth s THR 526 Ca 0.07 -1.93 0.33 0.00 -1.18 0.00 0.00 61.69 58.98 1gth s THR 526 Cb -0.07 -2.48 0.37 0.00 1.34 0.00 0.00 72.50 71.66 1gth s THR 526 CO 0.04 0.00 2.23 -0.65 -0.54 0.00 0.00 174.62 175.70 1gth h PRO 527 N 2.48 0.00 -0.88 3.99 0.11 -1.94 -1.80 132.00 133.96 1gth h PRO 527 Ca -0.33 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.86 1gth h PRO 527 Cb 1.25 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.30 1gth h PRO 527 CO 0.48 0.00 0.57 0.28 -0.21 0.00 0.00 178.00 179.12 1gth h VAL 528 N 0.00 1.02 0.00 3.15 2.07 -1.94 -1.40 116.25 119.15 1gth h VAL 528 Ca 0.02 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1gth h VAL 528 Cb 0.14 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 1gth h VAL 528 CO -0.00 0.17 0.00 0.44 0.02 0.00 0.00 177.57 178.20 1gth h ASP 529 N 0.94 0.00 0.54 0.57 3.45 -1.71 -1.65 116.42 118.56 1gth h ASP 529 Ca 0.39 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.85 1gth h ASP 529 Cb 0.29 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.06 1gth h ASP 529 CO -0.15 0.00 -0.44 0.18 -1.57 0.00 0.00 179.24 177.26 1gth n LEU 530 N -2.29 0.46 -4.72 1.55 4.77 -0.53 -4.91 117.00 111.33 1gth n LEU 530 Ca -0.00 0.04 -0.42 0.00 -0.03 0.00 0.00 56.01 55.60 1gth n LEU 530 Cb 0.10 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 1gth n LEU 530 CO 0.14 0.11 1.34 -0.69 -1.33 0.00 0.00 177.39 176.96 1gth s VAL 531 N -2.99 2.14 -0.27 4.08 1.01 -0.62 -4.95 120.40 118.80 1gth s VAL 531 Ca 0.12 0.10 -0.25 0.00 0.00 0.00 0.00 61.98 61.95 1gth s VAL 531 Cb 0.18 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.49 1gth s VAL 531 CO 0.68 0.01 0.86 -0.62 0.00 0.00 0.00 175.10 176.03 1gth s ASP 532 N 1.13 6.81 -0.23 3.32 -1.08 -1.26 -4.93 116.67 120.43 1gth s ASP 532 Ca 0.73 0.94 0.12 0.00 -0.52 0.00 0.00 52.55 53.82 1gth s ASP 532 Cb -0.48 -2.45 0.45 0.00 -1.46 0.00 0.00 42.92 38.97 1gth s ASP 532 CO 0.33 -0.61 1.33 2.30 0.52 0.00 0.00 175.17 179.03 1gth n ILE 533 N 5.44 2.31 -1.91 4.11 -5.35 -1.26 -4.56 119.36 118.13 1gth n ILE 533 Ca 0.06 -2.79 -0.30 0.00 -0.27 0.00 0.00 62.75 59.46 1gth n ILE 533 Cb 0.48 -0.27 0.04 0.00 -1.74 0.00 0.00 39.64 38.14 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 -2.79 5.66 -0.07 7.28 1.04 -1.23 -3.75 113.70 119.84 1gth s SER 534 Ca 0.40 1.19 -0.26 0.00 0.48 0.00 0.00 55.95 57.76 1gth s SER 534 Cb 0.37 -2.06 0.06 0.00 0.10 0.00 0.00 66.02 64.49 1gth s SER 534 CO -0.01 -1.20 0.60 0.54 0.98 0.00 0.00 173.24 174.14 1gth s VAL 535 N -3.30 0.01 -0.02 5.02 0.11 -0.53 -4.43 120.40 117.26 1gth s VAL 535 Ca 0.57 -0.10 0.03 0.00 -2.93 0.00 0.00 61.98 59.55 1gth s VAL 535 Cb -0.11 -0.90 -0.03 0.00 -1.53 0.00 0.00 36.38 33.81 1gth s VAL 535 CO 0.52 -0.05 -0.08 -1.61 -3.33 0.00 0.00 175.10 170.55 1gth s GLU 536 N -0.99 2.59 -0.22 1.54 2.02 -1.26 -0.60 118.70 121.78 1gth s GLU 536 Ca -0.10 -0.67 -0.12 0.00 0.02 0.00 0.00 54.97 54.10 1gth s GLU 536 Cb -0.02 -2.51 0.07 0.00 0.10 0.00 0.00 34.13 31.77 1gth s GLU 536 CO 0.07 0.62 0.53 1.41 0.02 0.00 0.00 175.26 177.92 1gth s MET 537 N -1.15 0.53 -1.41 1.61 1.75 -0.29 -4.91 119.30 115.43 1gth s MET 537 Ca 0.15 0.99 -0.09 0.00 -1.25 0.00 0.00 55.69 55.49 1gth s MET 537 Cb -0.11 0.06 0.05 0.00 2.84 0.00 0.00 34.83 37.68 1gth s MET 537 CO 0.05 -0.16 0.61 0.00 -0.65 0.00 0.00 175.02 174.87 1gth n ALA 538 N 4.33 -1.07 -0.89 4.11 0.00 -1.26 -0.63 120.51 125.09 1gth n ALA 538 Ca -0.21 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1gth n ALA 538 Cb 0.57 -3.42 0.00 0.00 0.00 0.00 0.00 19.45 16.59 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 -1.37 1.14 3.89 0.00 0.00 -1.26 -4.87 105.19 102.73 1gth n GLY 539 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 4.35 -0.23 0.99 1.43 0.20 -5.09 118.68 120.32 1gth s LEU 540 Ca 0.00 0.36 -0.07 0.00 -1.03 0.00 0.00 54.13 53.39 1gth s LEU 540 Cb 0.00 -2.51 -0.03 0.00 0.03 0.00 0.00 46.19 43.69 1gth s LEU 540 CO 0.00 0.29 0.05 -0.54 0.23 0.00 0.00 176.35 176.38 1gth s LYS 541 N -1.78 3.66 -0.17 1.70 1.02 -1.26 -1.13 119.74 121.77 1gth s LYS 541 Ca 0.25 -0.48 -0.05 0.00 0.02 0.00 0.00 55.97 55.71 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 0.16 -0.11 0.00 -0.06 -0.92 0.00 0.00 175.35 174.42 1gth s PHE 542 N 1.38 3.09 0.38 3.18 0.40 0.23 -4.78 117.98 121.85 1gth s PHE 542 Ca 0.05 -0.22 0.23 0.00 -0.60 0.00 0.00 56.93 56.38 1gth s PHE 542 Cb -0.15 -2.02 1.20 0.00 0.51 0.00 0.00 43.02 42.56 1gth s PHE 542 CO 0.03 -0.03 1.99 -0.84 0.70 0.00 0.00 175.22 177.07 1gth h ILE 543 N 5.12 0.76 -3.04 0.64 3.07 -1.82 -1.39 117.51 120.85 1gth h ILE 543 Ca -0.34 -0.75 -0.07 0.00 1.55 0.00 0.00 64.86 65.25 1gth h ILE 543 Cb 1.18 1.46 -0.16 0.00 -0.27 0.00 0.00 36.82 39.03 1gth h ILE 543 CO 0.64 0.18 -0.07 0.54 -1.05 0.00 0.00 178.15 178.40 1gth s ASN 544 N -6.40 -0.31 0.00 2.16 2.20 -1.26 -3.46 114.94 107.87 1gth s ASN 544 Ca -0.03 -0.02 0.17 0.00 -0.94 0.00 0.00 52.86 52.05 1gth s ASN 544 Cb 0.13 0.45 1.02 0.00 -2.00 0.00 0.00 41.25 40.85 1gth s ASN 544 CO 0.63 -0.71 1.58 -0.81 -2.94 0.00 0.00 177.10 174.86 1gth n PRO 545 N 0.37 0.89 -3.63 3.55 -0.04 -1.25 -4.44 135.00 130.46 1gth n PRO 545 Ca -0.18 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.91 1gth n PRO 545 Cb 0.60 -1.30 -0.07 0.00 -0.04 0.00 0.00 33.50 32.70 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 3.53 0.11 0.54 0.40 -1.26 0.89 117.98 120.19 1gth s PHE 546 Ca 0.26 0.62 -0.09 0.00 -0.60 0.00 0.00 56.93 57.12 1gth s PHE 546 Cb 0.12 -2.23 -0.00 0.00 0.51 0.00 0.00 43.02 41.42 1gth s PHE 546 CO 0.20 0.43 0.22 0.20 0.70 0.00 0.00 175.22 176.96 1gth s GLY 547 N -0.15 0.19 -0.09 4.36 0.00 0.14 -1.11 107.32 110.66 1gth s GLY 547 Ca 0.16 -0.67 -0.26 0.00 0.00 0.00 0.00 44.72 43.95 1gth s GLY 547 CO 0.05 -0.80 0.81 1.08 0.00 0.00 0.00 173.10 174.25 1gth s LEU 548 N -2.89 4.28 0.80 0.66 1.43 -0.81 -0.31 118.68 121.85 1gth s LEU 548 Ca 0.08 1.30 -0.11 0.00 -1.03 0.00 0.00 54.13 54.37 1gth s LEU 548 Cb 0.04 -3.25 0.07 0.00 0.03 0.00 0.00 46.19 43.08 1gth s LEU 548 CO -0.08 -0.25 1.09 0.00 0.23 0.00 0.00 176.35 177.33 1gth s ALA 549 N 1.33 2.12 -0.52 4.21 0.00 -0.23 -1.36 121.76 127.30 1gth s ALA 549 Ca 0.41 -0.02 -0.27 0.00 0.00 0.00 0.00 51.96 52.08 1gth s ALA 549 Cb -0.18 -3.18 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 1gth s ALA 549 CO 0.18 -1.84 1.76 0.45 0.00 0.00 0.00 175.76 176.31 1gth s SER 550 N -3.64 5.62 0.00 0.00 0.15 -1.26 -4.57 113.70 109.99 1gth s SER 550 Ca 0.61 0.62 0.00 0.00 0.70 0.00 0.00 55.95 57.88 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 0.56 -2.05 0.00 0.00 1.20 0.00 0.00 173.24 172.94 1gth n ALA 551 N 11.42 0.00 -0.24 5.45 0.00 -1.26 -4.83 120.51 131.04 1gth n ALA 551 Ca 0.20 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.78 1gth n ALA 551 Cb 0.50 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.38 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 1.95 0.00 0.00 0.00 -1.97 0.23 119.26 121.47 1gth h ALA 552 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 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 -0.20 0.00 -2.30 0.00 0.00 0.00 179.25 176.75 1gth n PRO 553 N -4.54 0.13 -1.06 0.00 -0.02 -1.26 -1.77 135.00 126.48 1gth n PRO 553 Ca 0.17 0.50 -0.05 0.00 -2.02 0.00 0.00 63.50 62.10 1gth n PRO 553 Cb 0.52 -1.83 0.15 0.00 -0.02 0.00 0.00 33.50 32.33 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 -2.09 2.40 -0.09 3.45 -2.24 0.78 -4.63 114.28 111.86 1gth n THR 554 Ca 0.01 -3.44 0.02 0.00 -2.27 0.00 0.00 64.05 58.37 1gth n THR 554 Cb 0.12 -0.53 0.34 0.00 -2.10 0.00 0.00 70.33 68.15 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 1.33 1.15 -4.00 4.28 2.02 -1.22 -3.15 112.91 113.33 1gth h THR 555 Ca 0.16 -0.33 -0.39 0.00 0.77 0.00 0.00 66.41 66.62 1gth h THR 555 Cb 1.26 0.39 -0.24 0.00 -1.74 0.00 0.00 68.15 67.82 1gth h THR 555 CO 0.32 0.16 -0.78 -0.44 0.37 0.00 0.00 175.52 175.15 1gth s SER 556 N -6.56 1.39 0.51 4.18 0.01 -1.26 -4.89 113.70 107.08 1gth s SER 556 Ca -0.09 -0.46 0.23 0.00 1.31 0.00 0.00 55.95 56.94 1gth s SER 556 Cb 0.17 -0.07 1.37 0.00 0.21 0.00 0.00 66.02 67.71 1gth s SER 556 CO 0.76 -0.03 2.09 0.77 0.41 0.00 0.00 173.24 177.24 1gth h SER 557 N 4.87 0.00 0.23 2.44 4.64 -1.98 -1.43 113.55 122.32 1gth h SER 557 Ca -0.37 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.92 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 0.11 -0.17 0.77 -0.87 0.00 0.00 176.83 177.10 1gth h SER 558 N 0.00 0.00 0.08 4.97 4.64 -1.97 -1.17 113.55 120.10 1gth h SER 558 Ca -0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 1gth h SER 558 Cb 0.24 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1gth h SER 558 CO 0.01 0.17 -0.87 0.24 -0.87 0.00 0.00 176.83 175.51 1gth h MET 559 N 0.00 0.61 -0.70 4.77 2.07 -1.59 -2.81 114.93 117.28 1gth h MET 559 Ca -0.00 -0.57 -0.06 0.00 -2.07 0.00 0.00 59.70 57.00 1gth h MET 559 Cb 0.33 0.14 -0.03 0.00 -1.87 0.00 0.00 31.60 30.17 1gth h MET 559 CO 0.02 1.18 0.19 0.82 1.07 0.00 0.00 176.91 180.19 1gth h ILE 560 N 0.38 1.26 -0.26 -1.22 2.04 -1.26 -0.47 117.51 117.98 1gth h ILE 560 Ca -0.07 -0.94 0.04 0.00 1.00 0.00 0.00 64.86 64.88 1gth h ILE 560 Cb 1.50 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 1gth h ILE 560 CO 0.17 0.36 0.04 -0.09 0.00 0.00 0.00 178.15 178.63 1gth h ARG 561 N 1.04 0.13 -0.29 2.37 2.43 -1.21 0.23 114.38 119.08 1gth h ARG 561 Ca 0.22 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.32 1gth h ARG 561 Cb 0.35 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1gth h ARG 561 CO -0.00 0.09 -0.09 0.00 -1.51 0.00 0.00 179.97 178.45 1gth h ARG 562 N 0.14 0.47 -0.57 0.20 3.08 -1.21 -0.48 114.38 116.01 1gth h ARG 562 Ca 0.12 -0.12 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 1gth h ARG 562 Cb 0.13 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1gth h ARG 562 CO -0.16 0.57 0.11 0.00 -1.07 0.00 0.00 179.97 179.42 1gth h ALA 563 N 1.46 0.75 -0.26 0.04 0.00 -0.26 -0.15 119.26 120.85 1gth h ALA 563 Ca 0.09 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1gth h ALA 563 Cb 0.44 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1gth h ALA 563 CO 0.02 0.48 -0.26 0.74 0.00 0.00 0.00 179.25 180.24 1gth h PHE 564 N 0.83 0.55 -0.08 0.00 0.04 -0.45 -1.56 116.94 116.28 1gth h PHE 564 Ca 0.18 -0.12 -0.09 0.00 2.80 0.00 0.00 57.97 60.74 1gth h PHE 564 Cb 0.39 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 1gth h PHE 564 CO 0.03 0.71 -0.36 0.93 -0.60 0.00 0.00 178.31 179.02 1gth h GLU 565 N 0.44 0.15 0.00 1.51 5.08 -0.68 -2.31 114.58 118.78 1gth h GLU 565 Ca 0.06 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1gth h GLU 565 Cb 0.68 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1gth h GLU 565 CO 0.05 0.50 -0.42 0.00 -1.00 0.00 0.00 179.01 178.14 1gth h ALA 566 N 1.50 0.91 0.00 3.43 0.00 -0.38 -3.47 119.26 121.25 1gth h ALA 566 Ca 0.02 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1gth h ALA 566 Cb 0.70 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1gth h ALA 566 CO 0.05 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.24 1gth n GLY 567 N 0.47 0.75 3.76 0.00 0.00 -0.65 -4.75 105.19 104.76 1gth n GLY 567 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1gth n GLY 567 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1gth s TRP 568 N -1.55 2.84 0.23 1.61 0.52 -0.80 -4.92 118.94 116.87 1gth s TRP 568 Ca 0.00 1.05 -0.05 0.00 0.02 0.00 0.00 56.10 57.12 1gth s TRP 568 Cb 0.00 -3.92 0.23 0.00 -1.15 0.00 0.00 33.47 28.63 1gth s TRP 568 CO 0.00 -2.88 1.73 0.78 0.02 0.00 0.00 176.95 176.59 1gth h GLY 569 N 4.22 1.00 -1.69 0.98 0.00 -1.33 -3.43 103.07 102.83 1gth h GLY 569 Ca -0.48 -0.68 -0.03 0.00 0.00 0.00 0.00 47.33 46.15 1gth h GLY 569 CO 0.73 0.63 0.13 -0.11 0.00 0.00 0.00 176.54 177.91 1gth s PHE 570 N -5.06 0.18 -0.03 5.60 -0.12 -1.09 -2.35 117.98 115.10 1gth s PHE 570 Ca -0.10 -0.67 -0.26 0.00 -0.05 0.00 0.00 56.93 55.84 1gth s PHE 570 Cb 0.14 0.56 0.06 0.00 -0.63 0.00 0.00 43.02 43.15 1gth s PHE 570 CO 0.83 -1.30 0.58 0.00 -0.05 0.00 0.00 175.22 175.28 1gth s ALA 571 N -3.25 -1.50 -0.01 1.99 0.00 -0.47 -1.93 121.76 116.60 1gth s ALA 571 Ca 0.17 1.02 -0.00 0.00 0.00 0.00 0.00 51.96 53.15 1gth s ALA 571 Cb -0.04 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 1gth s ALA 571 CO 0.11 -0.36 0.08 -0.51 0.00 0.00 0.00 175.76 175.08 1gth s LEU 572 N -1.29 3.88 0.60 0.00 2.01 -0.47 -1.32 118.68 122.09 1gth s LEU 572 Ca -0.11 0.14 -0.10 0.00 0.01 0.00 0.00 54.13 54.07 1gth s LEU 572 Cb -0.01 -2.25 -0.03 0.00 0.01 0.00 0.00 46.19 43.91 1gth s LEU 572 CO 0.08 0.28 0.99 0.42 1.01 0.00 0.00 176.35 179.12 1gth s THR 573 N -1.18 4.59 0.60 5.49 -4.23 -0.67 -4.50 115.64 115.74 1gth s THR 573 Ca 0.22 0.69 -0.19 0.00 -1.18 0.00 0.00 61.69 61.23 1gth s THR 573 Cb -0.12 -3.82 -0.03 0.00 1.34 0.00 0.00 72.50 69.87 1gth s THR 573 CO 0.13 -1.02 1.24 -0.75 -0.54 0.00 0.00 174.62 173.68 1gth s LYS 574 N -5.11 2.87 0.18 3.99 2.47 -1.19 -4.16 119.74 118.78 1gth s LYS 574 Ca 0.54 1.92 -0.32 0.00 -1.56 0.00 0.00 55.97 56.55 1gth s LYS 574 Cb -0.11 -1.93 -0.11 0.00 -1.46 0.00 0.00 37.83 34.22 1gth s LYS 574 CO 0.52 -1.31 1.74 0.99 0.16 0.00 0.00 175.35 177.45 1gth s THR 575 N -1.51 2.22 0.30 3.43 2.01 -1.26 -4.57 115.64 116.26 1gth s THR 575 Ca 0.78 0.07 0.07 0.00 0.31 0.00 0.00 61.69 62.92 1gth s THR 575 Cb -0.33 -3.04 -0.06 0.00 0.01 0.00 0.00 72.50 69.08 1gth s THR 575 CO 0.36 0.00 -0.05 0.72 -0.69 0.00 0.00 174.62 174.96 1gth s PHE 576 N 1.62 2.05 0.29 4.92 -0.12 -0.46 0.18 117.98 126.47 1gth s PHE 576 Ca 0.76 -0.68 0.06 0.00 -0.05 0.00 0.00 56.93 57.02 1gth s PHE 576 Cb -0.48 -1.20 -0.02 0.00 -0.63 0.00 0.00 43.02 40.69 1gth s PHE 576 CO 0.33 0.32 0.26 -1.13 -0.05 0.00 0.00 175.22 174.95 1gth n SER 577 N -0.64 -0.66 -4.77 1.98 3.41 -1.26 -2.01 113.62 109.67 1gth n SER 577 Ca -0.05 -2.87 -0.32 0.00 -0.26 0.00 0.00 58.87 55.36 1gth n SER 577 Cb 0.64 1.51 0.06 0.00 -0.26 0.00 0.00 64.21 66.16 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 3.28 0.39 1.04 1.43 -1.26 -3.95 118.68 119.61 1gth s LEU 578 Ca 0.34 1.97 0.14 0.00 -1.03 0.00 0.00 54.13 55.55 1gth s LEU 578 Cb 0.01 -4.54 0.99 0.00 0.03 0.00 0.00 46.19 42.68 1gth s LEU 578 CO 0.24 -1.79 1.85 0.44 0.23 0.00 0.00 176.35 177.32 1gth h ASP 579 N -0.33 0.50 0.64 2.29 5.19 -2.00 -0.70 116.42 122.01 1gth h ASP 579 Ca -0.46 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.00 1gth h ASP 579 Cb 1.24 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.71 1gth h ASP 579 CO 0.53 0.21 0.00 0.07 -3.12 0.00 0.00 179.24 176.93 1gth h LYS 580 N 0.51 0.00 -0.42 3.56 2.10 -2.04 -2.41 116.57 117.87 1gth h LYS 580 Ca 0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.12 1gth h LYS 580 Cb 1.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.35 1gth h LYS 580 CO -0.20 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.00 1gth n ASP 581 N -2.64 4.50 -4.64 7.07 8.00 -0.27 -5.02 116.55 123.55 1gth n ASP 581 Ca 0.00 -2.82 -0.45 0.00 0.71 0.00 0.00 54.79 52.23 1gth n ASP 581 Cb 0.21 -0.57 -0.02 0.00 -0.02 0.00 0.00 41.12 40.72 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 0.15 1.41 -4.26 0.53 0.13 -0.91 -4.91 119.36 111.50 1gth n ILE 582 Ca 0.23 -0.35 -0.24 0.00 -1.10 0.00 0.00 62.75 61.29 1gth n ILE 582 Cb 0.95 -1.24 -0.08 0.00 -0.84 0.00 0.00 39.64 38.43 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 -0.54 2.73 -0.09 9.51 -7.23 -1.26 -5.13 120.40 118.39 1gth s VAL 583 Ca 0.64 -1.87 -0.02 0.00 -1.81 0.00 0.00 61.98 58.92 1gth s VAL 583 Cb -0.69 -2.87 0.03 0.00 0.56 0.00 0.00 36.38 33.42 1gth s VAL 583 CO 0.55 -0.18 0.02 -0.89 -0.31 0.00 0.00 175.10 174.29 1gth s THR 584 N -2.49 0.31 0.79 5.32 2.01 -1.26 -4.69 115.64 115.62 1gth s THR 584 Ca 0.36 0.05 -0.11 0.00 0.31 0.00 0.00 61.69 62.30 1gth s THR 584 Cb -0.01 -0.56 0.06 0.00 0.01 0.00 0.00 72.50 72.01 1gth s THR 584 CO 0.20 0.15 1.09 0.20 -0.69 0.00 0.00 174.62 175.57 1gth s ASN 585 N 1.99 4.48 0.46 3.53 0.01 -1.26 -5.00 114.94 119.15 1gth s ASN 585 Ca 0.04 1.57 0.06 0.00 -0.71 0.00 0.00 52.86 53.82 1gth s ASN 585 Cb -0.13 -2.31 -0.02 0.00 0.41 0.00 0.00 41.25 39.19 1gth s ASN 585 CO -0.06 -2.01 0.24 0.68 -1.51 0.00 0.00 177.10 174.44 1gth s VAL 586 N -3.01 2.04 -0.12 1.60 -7.23 -1.26 -5.12 120.40 107.30 1gth s VAL 586 Ca 0.61 -1.64 -0.16 0.00 -1.81 0.00 0.00 61.98 58.98 1gth s VAL 586 Cb -0.16 -2.69 0.04 0.00 0.56 0.00 0.00 36.38 34.13 1gth s VAL 586 CO 0.56 0.00 0.41 -0.94 -0.31 0.00 0.00 175.10 174.82 1gth s SER 587 N -4.02 -0.40 0.76 4.85 1.04 -1.26 -4.34 113.70 110.33 1gth s SER 587 Ca 0.36 0.68 -0.12 0.00 0.48 0.00 0.00 55.95 57.35 1gth s SER 587 Cb 0.01 0.73 0.05 0.00 0.10 0.00 0.00 66.02 66.91 1gth s SER 587 CO 0.20 -0.24 1.11 -2.16 0.98 0.00 0.00 173.24 173.14 1gth s PRO 588 N -0.18 2.24 0.00 4.02 0.04 -1.26 -4.56 135.00 135.30 1gth s PRO 588 Ca -0.03 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1gth s PRO 588 Cb -0.03 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1gth s PRO 588 CO 0.02 -1.67 0.00 2.89 0.04 0.00 0.00 177.00 178.28 1gth n ARG 589 N -3.27 0.00 -3.80 4.56 1.85 -1.26 -4.76 116.66 109.98 1gth n ARG 589 Ca 0.10 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.69 1gth n ARG 589 Cb 0.52 -0.12 -0.17 0.00 -1.05 0.00 0.00 32.46 31.64 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 0.63 0.24 8.89 1.01 -1.26 -0.49 121.20 130.22 1gth s ILE 590 Ca 0.00 -0.23 0.10 0.00 0.00 0.00 0.00 60.65 60.52 1gth s ILE 590 Cb 0.00 -0.86 -0.05 0.00 0.01 0.00 0.00 42.46 41.57 1gth s ILE 590 CO 0.00 0.13 -0.17 0.68 0.00 0.00 0.00 174.94 175.58 1gth s VAL 591 N 1.85 2.12 0.59 2.92 -7.23 -0.13 -4.98 120.40 115.55 1gth s VAL 591 Ca 0.03 -2.31 -0.16 0.00 -1.81 0.00 0.00 61.98 57.73 1gth s VAL 591 Cb -0.14 -2.18 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 1gth s VAL 591 CO -0.07 -0.49 1.06 0.00 -0.31 0.00 0.00 175.10 175.29 1gth s ARG 592 N -3.58 3.30 0.55 4.82 1.70 -1.26 -1.44 118.95 123.04 1gth s ARG 592 Ca 0.26 1.21 -0.15 0.00 -0.47 0.00 0.00 55.73 56.59 1gth s ARG 592 Cb -0.03 -2.03 -0.06 0.00 -0.57 0.00 0.00 34.95 32.26 1gth s ARG 592 CO 0.11 -0.83 1.00 0.20 -1.08 0.00 0.00 175.30 174.71 1gth s GLY 593 N -2.77 1.99 -0.11 3.88 0.00 0.14 -4.66 107.32 105.78 1gth s GLY 593 Ca 0.64 0.15 0.14 0.00 0.00 0.00 0.00 44.72 45.65 1gth s GLY 593 CO 0.37 0.43 1.29 -1.30 0.00 0.00 0.00 173.10 173.89 1gth n THR 594 N -1.88 1.78 0.37 0.90 -2.24 -1.26 -4.69 114.28 107.25 1gth n THR 594 Ca 0.07 -1.65 0.11 0.00 -2.27 0.00 0.00 64.05 60.31 1gth n THR 594 Cb 0.54 0.01 0.47 0.00 -2.10 0.00 0.00 70.33 69.24 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 -0.43 0.91 -2.25 4.28 -2.24 -1.26 -3.24 114.28 110.04 1gth n THR 595 Ca 0.16 0.31 0.04 0.00 -2.27 0.00 0.00 64.05 62.28 1gth n THR 595 Cb 0.67 -1.23 0.07 0.00 -2.10 0.00 0.00 70.33 67.75 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 -2.13 1.29 0.00 3.42 3.41 -1.26 -5.07 113.62 113.28 1gth n SER 596 Ca 0.02 -2.57 0.00 0.00 -0.26 0.00 0.00 58.87 56.06 1gth n SER 596 Cb 0.19 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 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 -0.02 -2.27 2.42 5.00 0.00 -1.20 -4.49 105.19 104.63 1gth n GLY 597 Ca 0.10 -1.55 -0.31 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.43 2.99 -3.83 1.61 -0.04 -1.26 -4.84 135.00 129.21 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 30.70 1gth n PRO 598 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1gth s MET 599 N 2.62 3.23 0.28 0.54 -1.94 -1.26 -5.10 119.30 117.66 1gth s MET 599 Ca 0.57 -0.74 0.08 0.00 -1.71 0.00 0.00 55.69 53.89 1gth s MET 599 Cb 0.15 -3.20 -0.04 0.00 2.01 0.00 0.00 34.83 33.75 1gth s MET 599 CO -0.05 -0.32 0.17 0.71 -0.01 0.00 0.00 175.02 175.52 1gth s TYR 600 N 1.49 2.97 0.00 -0.03 1.51 -1.26 -4.94 117.35 117.09 1gth s TYR 600 Ca 0.04 -0.18 0.00 0.00 -1.01 0.00 0.00 57.07 55.91 1gth s TYR 600 Cb -0.16 -1.45 0.00 0.00 -0.11 0.00 0.00 41.96 40.24 1gth s TYR 600 CO -0.00 0.47 0.00 0.41 -1.11 0.00 0.00 175.55 175.32 1gth n GLY 601 N -1.16 0.98 3.74 0.71 0.00 -1.26 -5.00 105.19 103.20 1gth n GLY 601 Ca -0.06 -1.49 -0.37 0.00 0.00 0.00 0.00 46.02 44.10 1gth n GLY 601 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gth s PRO 602 N 0.00 2.62 -1.07 1.61 0.04 -1.26 -4.09 135.00 132.86 1gth s PRO 602 Ca 0.00 1.99 -0.05 0.00 0.04 0.00 0.00 61.00 62.98 1gth s PRO 602 Cb 0.00 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.68 1gth s PRO 602 CO 0.00 -1.52 0.92 0.41 0.04 0.00 0.00 177.00 176.85 1gth n GLY 603 N 0.77 -0.25 3.73 0.56 0.00 -1.26 -4.96 105.19 103.79 1gth n GLY 603 Ca 0.15 0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.99 2.60 0.00 1.61 1.13 -1.26 -4.85 117.38 112.63 1gth n GLN 604 Ca -0.05 0.93 0.09 0.00 -1.94 0.00 0.00 57.00 56.02 1gth n GLN 604 Cb 0.57 -2.71 0.42 0.00 0.11 0.00 0.00 30.24 28.63 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 2.59 0.00 -3.63 1.08 3.41 -1.26 -4.75 113.62 111.05 1gth n SER 605 Ca 0.11 0.26 0.03 0.00 -0.26 0.00 0.00 58.87 59.01 1gth n SER 605 Cb 0.35 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 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 -2.79 -0.02 0.05 4.04 1.04 -1.26 -0.76 113.70 114.00 1gth s SER 606 Ca 0.13 -0.08 -0.03 0.00 0.48 0.00 0.00 55.95 56.45 1gth s SER 606 Cb 0.12 0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.30 1gth s SER 606 CO 0.30 -0.15 0.03 -0.36 0.98 0.00 0.00 173.24 174.04 1gth s PHE 607 N -2.18 0.35 -0.01 5.02 0.40 -0.87 0.23 117.98 120.92 1gth s PHE 607 Ca 0.17 -0.77 0.04 0.00 -0.60 0.00 0.00 56.93 55.77 1gth s PHE 607 Cb 0.05 -0.25 -0.01 0.00 0.51 0.00 0.00 43.02 43.32 1gth s PHE 607 CO -0.05 -0.36 -0.13 -1.17 0.70 0.00 0.00 175.22 174.20 1gth s LEU 608 N -2.46 1.99 0.03 -0.37 0.20 -0.52 -1.05 118.68 116.49 1gth s LEU 608 Ca -0.00 -0.25 0.01 0.00 0.69 0.00 0.00 54.13 54.58 1gth s LEU 608 Cb 0.02 -0.71 -0.02 0.00 -0.43 0.00 0.00 46.19 45.05 1gth s LEU 608 CO -0.07 0.16 -0.05 0.54 -0.29 0.00 0.00 176.35 176.63 1gth s ASN 609 N -0.23 0.51 -0.26 3.68 2.20 -0.64 -0.96 114.94 119.24 1gth s ASN 609 Ca 0.04 -0.55 0.11 0.00 -0.94 0.00 0.00 52.86 51.52 1gth s ASN 609 Cb -0.06 0.08 0.46 0.00 -2.00 0.00 0.00 41.25 39.73 1gth s ASN 609 CO -0.00 -0.28 1.18 2.30 -2.94 0.00 0.00 177.10 177.36 1gth n ILE 610 N 1.46 2.17 -3.02 0.54 -5.35 0.36 -0.86 119.36 114.66 1gth n ILE 610 Ca -0.23 -3.75 -0.33 0.00 -0.27 0.00 0.00 62.75 58.17 1gth n ILE 610 Cb 0.55 -0.51 -0.06 0.00 -1.74 0.00 0.00 39.64 37.88 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 -3.47 4.07 0.00 6.28 2.12 -1.26 -4.80 118.70 121.64 1gth s GLU 611 Ca 0.44 0.81 0.00 0.00 0.36 0.00 0.00 54.97 56.58 1gth s GLU 611 Cb 0.39 -2.35 0.00 0.00 0.26 0.00 0.00 34.13 32.43 1gth s GLU 611 CO 0.00 0.09 0.00 1.28 -0.54 0.00 0.00 175.26 176.09 1gth n LEU 612 N -0.49 0.00 0.00 2.70 4.77 -1.26 -4.97 117.00 117.76 1gth n LEU 612 Ca 0.05 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.97 1gth n LEU 612 Cb 0.53 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.66 1gth n LEU 612 CO 0.40 0.00 0.16 2.30 -1.33 0.00 0.00 177.39 178.92 1gth n ILE 613 N 0.00 0.00 -1.75 -0.08 -5.35 -1.26 -4.97 119.36 105.94 1gth n ILE 613 Ca 0.00 -0.17 -0.41 0.00 -0.27 0.00 0.00 62.75 61.90 1gth n ILE 613 Cb 0.00 -1.79 0.01 0.00 -1.74 0.00 0.00 39.64 36.12 1gth n ILE 613 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1gth n SER 614 N -3.19 3.27 -0.11 7.28 2.88 0.13 -4.89 113.62 118.98 1gth n SER 614 Ca 0.03 1.15 0.12 0.00 -1.33 0.00 0.00 58.87 58.84 1gth n SER 614 Cb 0.11 -1.58 0.29 0.00 -0.75 0.00 0.00 64.21 62.28 1gth n SER 614 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1gth n GLU 615 N 0.03 0.37 -3.23 -1.46 1.02 -1.26 -4.52 120.64 111.59 1gth n GLU 615 Ca 0.04 -0.22 -0.34 0.00 -0.02 0.00 0.00 57.16 56.63 1gth n GLU 615 Cb 0.40 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.27 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 -2.78 4.01 0.76 3.49 1.02 -1.26 -4.86 119.74 120.12 1gth s LYS 616 Ca 0.17 0.60 -0.11 0.00 0.02 0.00 0.00 55.97 56.65 1gth s LYS 616 Cb 0.18 -2.67 0.05 0.00 -0.52 0.00 0.00 37.83 34.87 1gth s LYS 616 CO 0.63 0.30 1.08 0.95 -0.92 0.00 0.00 175.35 177.39 1gth s THR 617 N -1.75 3.49 0.40 2.17 -4.23 -1.26 -4.77 115.64 109.69 1gth s THR 617 Ca 0.47 0.48 0.09 0.00 -1.18 0.00 0.00 61.69 61.55 1gth s THR 617 Cb -0.13 -3.11 0.20 0.00 1.34 0.00 0.00 72.50 70.80 1gth s THR 617 CO 0.19 -0.63 1.98 0.00 -0.54 0.00 0.00 174.62 175.62 1gth h ALA 618 N -1.01 1.60 -0.47 3.99 0.00 -1.94 -1.46 119.26 119.97 1gth h ALA 618 Ca -0.45 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.27 1gth h ALA 618 Cb 1.24 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1gth h ALA 618 CO 0.55 0.30 0.06 0.00 0.00 0.00 0.00 179.25 180.16 1gth h ALA 619 N 1.70 0.63 -0.07 0.00 0.00 -1.92 0.16 119.26 119.75 1gth h ALA 619 Ca 0.07 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1gth h ALA 619 Cb 0.21 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1gth h ALA 619 CO 0.00 0.37 0.04 -0.92 0.00 0.00 0.00 179.25 178.75 1gth h TYR 620 N 0.66 0.10 -0.56 0.00 3.20 -1.77 -1.84 116.97 116.77 1gth h TYR 620 Ca 0.14 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 1gth h TYR 620 Cb 0.41 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 1gth h TYR 620 CO 0.03 0.16 0.11 -1.49 -1.64 0.00 0.00 178.16 175.33 1gth h TRP 621 N 0.02 0.96 -0.47 -3.82 4.06 -1.11 -0.92 115.95 114.67 1gth h TRP 621 Ca 0.03 -0.13 -0.08 0.00 2.06 0.00 0.00 58.89 60.77 1gth h TRP 621 Cb 0.09 -0.27 -0.02 0.00 -1.00 0.00 0.00 29.16 27.97 1gth h TRP 621 CO -0.04 0.84 -0.01 0.00 -3.56 0.00 0.00 178.44 175.68 1gth h GLN 623 N 0.69 0.84 -0.53 0.00 4.15 -1.28 -2.38 115.11 116.60 1gth h GLN 623 Ca 0.13 -0.22 -0.03 0.00 0.77 0.00 0.00 58.65 59.30 1gth h GLN 623 Cb 0.51 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.08 1gth h GLN 623 CO 0.03 0.83 0.22 0.77 -1.93 0.00 0.00 178.83 178.74 1gth h SER 624 N 0.79 0.73 -0.83 -0.69 0.02 -0.75 -2.05 113.55 110.75 1gth h SER 624 Ca 0.15 -0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1gth h SER 624 Cb 0.44 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 1gth h SER 624 CO 0.02 0.70 0.41 0.58 -1.14 0.00 0.00 176.83 177.39 1gth h VAL 625 N 0.72 1.26 -0.57 2.27 2.07 -0.70 0.76 116.25 122.05 1gth h VAL 625 Ca 0.18 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 1gth h VAL 625 Cb 0.19 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 1gth h VAL 625 CO -0.02 0.30 0.34 0.74 0.02 0.00 0.00 177.57 178.96 1gth h THR 626 N 1.18 1.17 0.17 2.57 2.02 -1.15 0.09 112.91 118.96 1gth h THR 626 Ca 0.29 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 1gth h THR 626 Cb 0.10 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1gth h THR 626 CO -0.04 0.17 -0.08 -0.33 0.37 0.00 0.00 175.52 175.61 1gth h GLU 627 N 0.77 -0.22 -0.53 6.66 5.08 -0.90 -1.85 114.58 123.59 1gth h GLU 627 Ca 0.20 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.62 1gth h GLU 627 Cb -0.02 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1gth h GLU 627 CO -0.04 -0.00 0.28 -0.07 -1.00 0.00 0.00 179.01 178.18 1gth h LEU 628 N -0.42 0.43 -1.28 1.33 3.38 -0.69 -1.27 115.31 116.79 1gth h LEU 628 Ca -0.02 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1gth h LEU 628 Cb 0.32 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1gth h LEU 628 CO 0.04 0.29 -0.34 0.11 0.09 0.00 0.00 178.44 178.64 1gth h LYS 629 N 0.55 0.04 -0.18 1.13 1.79 -0.96 0.33 116.57 119.28 1gth h LYS 629 Ca 0.23 -0.01 -0.19 0.00 -2.18 0.00 0.00 60.65 58.49 1gth h LYS 629 Cb 0.10 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1gth h LYS 629 CO -0.14 0.37 -0.66 0.00 -1.08 0.00 0.00 179.45 177.95 1gth h ALA 630 N 1.63 0.51 0.00 3.86 0.00 -0.73 -3.05 119.26 121.48 1gth h ALA 630 Ca 0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 54.25 1gth h ALA 630 Cb 0.62 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1gth h ALA 630 CO 0.05 0.70 -1.10 -0.44 0.00 0.00 0.00 179.25 178.46 1gth h ASP 631 N 0.48 0.00 -2.07 0.00 3.32 -0.96 -3.40 116.42 113.79 1gth h ASP 631 Ca -0.02 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.46 1gth h ASP 631 Cb 1.25 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.39 1gth h ASP 631 CO 0.13 0.36 -0.93 0.49 -1.72 0.00 0.00 179.24 177.57 1gth n PHE 632 N -2.88 1.06 0.02 4.55 3.01 0.11 -4.96 117.46 118.38 1gth n PHE 632 Ca -0.04 -3.77 0.13 0.00 1.01 0.00 0.00 57.45 54.77 1gth n PHE 632 Cb 0.72 -0.42 0.58 0.00 -0.01 0.00 0.00 39.48 40.35 1gth n PHE 632 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1gth h PRO 633 N 4.06 0.20 -0.00 -1.08 0.11 -1.75 -2.24 132.00 131.30 1gth h PRO 633 Ca 0.12 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1gth h PRO 633 Cb 0.80 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1gth h PRO 633 CO 0.59 0.13 -0.43 -0.25 -0.21 0.00 0.00 178.00 177.84 1gth n ASP 634 N -4.46 0.46 -4.71 -2.05 8.00 -1.26 -4.81 116.55 107.72 1gth n ASP 634 Ca 0.07 -0.18 -0.37 0.00 0.71 0.00 0.00 54.79 55.01 1gth n ASP 634 Cb 0.36 0.15 -0.07 0.00 -0.02 0.00 0.00 41.12 41.55 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 -2.98 6.53 -0.03 -2.24 -0.87 -0.84 -4.52 114.94 109.99 1gth s ASN 635 Ca 0.12 0.62 -0.30 0.00 -1.57 0.00 0.00 52.86 51.73 1gth s ASN 635 Cb 0.18 -2.23 -0.03 0.00 -0.02 0.00 0.00 41.25 39.14 1gth s ASN 635 CO 0.67 0.02 1.10 -0.63 -2.57 0.00 0.00 177.10 175.69 1gth s ILE 636 N 0.73 4.49 -0.18 0.60 -1.09 -0.99 -4.95 121.20 119.81 1gth s ILE 636 Ca 0.21 1.79 -0.01 0.00 -2.23 0.00 0.00 60.65 60.40 1gth s ILE 636 Cb -0.14 -4.15 -0.00 0.00 -1.58 0.00 0.00 42.46 36.59 1gth s ILE 636 CO 0.07 0.06 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.03 1gth s VAL 637 N 1.64 2.81 -0.18 2.92 1.01 -1.26 -1.37 120.40 125.97 1gth s VAL 637 Ca 0.54 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 1gth s VAL 637 Cb -0.23 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 33.93 1gth s VAL 637 CO 0.24 0.49 -0.13 -0.63 0.00 0.00 0.00 175.10 175.07 1gth s ILE 638 N 1.10 2.77 -0.20 2.22 1.01 -0.43 -1.52 121.20 126.14 1gth s ILE 638 Ca 0.00 -0.72 -0.23 0.00 0.00 0.00 0.00 60.65 59.70 1gth s ILE 638 Cb -0.14 -2.20 -0.02 0.00 0.01 0.00 0.00 42.46 40.11 1gth s ILE 638 CO -0.04 0.49 0.74 0.00 0.00 0.00 0.00 174.94 176.14 1gth s ALA 639 N 1.08 3.55 -0.19 9.38 0.00 -0.69 -1.68 121.76 133.21 1gth s ALA 639 Ca -0.00 -0.14 -0.18 0.00 0.00 0.00 0.00 51.96 51.65 1gth s ALA 639 Cb -0.15 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 1gth s ALA 639 CO -0.03 -0.67 0.48 0.45 0.00 0.00 0.00 175.76 175.99 1gth s SER 640 N 1.22 6.55 0.13 0.00 0.15 -1.26 -0.66 113.70 119.83 1gth s SER 640 Ca 0.33 0.65 0.05 0.00 0.70 0.00 0.00 55.95 57.68 1gth s SER 640 Cb -0.16 -2.28 -0.04 0.00 -1.71 0.00 0.00 66.02 61.83 1gth s SER 640 CO 0.11 -0.13 -0.11 0.27 1.20 0.00 0.00 173.24 174.57 1gth s ILE 641 N 1.43 1.16 -0.11 6.45 -4.36 -0.35 -1.35 121.20 124.07 1gth s ILE 641 Ca 0.23 -1.87 -0.09 0.00 -0.26 0.00 0.00 60.65 58.67 1gth s ILE 641 Cb -0.15 -1.64 0.03 0.00 1.25 0.00 0.00 42.46 41.95 1gth s ILE 641 CO 0.09 -0.61 0.28 -0.32 0.24 0.00 0.00 174.94 174.62 1gth s MET 642 N -3.23 0.30 0.11 0.37 1.75 -0.85 -1.43 119.30 116.32 1gth s MET 642 Ca 0.12 0.46 -0.01 0.00 -1.25 0.00 0.00 55.69 55.00 1gth s MET 642 Cb -0.01 0.07 -0.04 0.00 2.84 0.00 0.00 34.83 37.70 1gth s MET 642 CO 0.01 -0.08 0.04 0.00 -0.65 0.00 0.00 175.02 174.34 1gth s SER 644 N -3.00 2.17 -1.12 0.00 1.04 -1.26 -4.72 113.70 106.80 1gth s SER 644 Ca 0.18 0.39 -0.21 0.00 0.48 0.00 0.00 55.95 56.79 1gth s SER 644 Cb 0.07 -0.50 -0.08 0.00 0.10 0.00 0.00 66.02 65.62 1gth s SER 644 CO -0.02 -3.33 1.91 0.00 0.98 0.00 0.00 173.24 172.78 1gth n TYR 645 N -4.19 2.87 -3.67 5.02 9.36 -1.26 -4.79 117.16 120.49 1gth n TYR 645 Ca 0.15 -1.82 -0.17 0.00 3.32 0.00 0.00 57.90 59.37 1gth n TYR 645 Cb 0.59 -2.41 -0.16 0.00 -0.63 0.00 0.00 39.34 36.73 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 5.64 0.73 0.12 2.98 3.84 -1.26 -5.07 114.94 121.92 1gth s ASN 646 Ca 0.63 0.29 -0.20 0.00 0.21 0.00 0.00 52.86 53.79 1gth s ASN 646 Cb 0.04 0.21 -0.04 0.00 -0.55 0.00 0.00 41.25 40.91 1gth s ASN 646 CO 0.11 -0.24 1.74 0.50 -2.79 0.00 0.00 177.10 176.43 1gth h LYS 647 N 8.27 0.12 -0.54 0.43 3.64 -1.99 -2.34 116.57 124.16 1gth h LYS 647 Ca -0.16 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.23 1gth h LYS 647 Cb 1.12 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.88 1gth h LYS 647 CO 0.17 0.08 0.35 -0.91 -2.27 0.00 0.00 179.45 176.86 1gth h ASN 648 N 0.12 0.59 0.23 4.20 2.35 -1.98 -1.92 115.58 119.17 1gth h ASN 648 Ca 0.09 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1gth h ASN 648 Cb 0.08 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1gth h ASN 648 CO -0.11 0.42 -0.16 0.44 -1.65 0.00 0.00 177.43 176.37 1gth h ASP 649 N 0.70 -0.40 -0.89 5.81 3.32 -1.90 0.12 116.42 123.19 1gth h ASP 649 Ca 0.20 0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.33 1gth h ASP 649 Cb -0.05 0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.57 1gth h ASP 649 CO -0.06 -0.25 0.58 -0.50 -1.72 0.00 0.00 179.24 177.29 1gth h TRP 650 N -0.38 1.05 -0.28 4.55 4.06 -1.31 -0.67 115.95 122.97 1gth h TRP 650 Ca -0.02 0.03 -0.19 0.00 2.06 0.00 0.00 58.89 60.77 1gth h TRP 650 Cb 0.33 -0.35 0.00 0.00 -1.00 0.00 0.00 29.16 28.14 1gth h TRP 650 CO -0.10 0.58 -0.56 0.52 -3.56 0.00 0.00 178.44 175.32 1gth h MET 651 N 1.06 0.86 0.42 0.49 2.86 -1.05 -1.69 114.93 117.88 1gth h MET 651 Ca 0.37 -0.55 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 1gth h MET 651 Cb 0.11 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.84 1gth h MET 651 CO -0.12 1.19 -0.20 1.49 1.06 0.00 0.00 176.91 180.32 1gth h GLU 652 N 0.65 -0.55 -0.33 1.72 4.81 -0.16 -2.15 114.58 118.58 1gth h GLU 652 Ca 0.01 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1gth h GLU 652 Cb 1.17 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.66 1gth h GLU 652 CO 0.12 -0.29 0.16 1.25 -0.73 0.00 0.00 179.01 179.52 1gth h LEU 653 N -0.71 0.43 -1.15 1.64 5.85 -1.21 -0.83 115.31 119.34 1gth h LEU 653 Ca -0.06 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 1gth h LEU 653 Cb 0.51 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1gth h LEU 653 CO 0.10 0.44 0.32 0.77 -0.34 0.00 0.00 178.44 179.73 1gth h SER 654 N 0.40 0.82 -0.18 1.25 4.64 -1.35 -0.48 113.55 118.65 1gth h SER 654 Ca 0.11 -0.08 -0.17 0.00 -0.47 0.00 0.00 61.79 61.19 1gth h SER 654 Cb 0.12 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1gth h SER 654 CO -0.01 0.69 -0.50 0.03 -0.87 0.00 0.00 176.83 176.17 1gth h ARG 655 N 0.92 0.75 -0.69 4.77 3.08 -1.17 0.20 114.38 122.25 1gth h ARG 655 Ca 0.23 -0.45 -0.05 0.00 0.07 0.00 0.00 59.98 59.78 1gth h ARG 655 Cb 0.08 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 1gth h ARG 655 CO -0.03 1.07 0.23 -0.22 -1.07 0.00 0.00 179.97 179.96 1gth h LYS 656 N 0.59 1.05 -0.36 0.04 3.64 -0.65 -0.65 116.57 120.24 1gth h LYS 656 Ca 0.03 -0.21 -0.10 0.00 -1.27 0.00 0.00 60.65 59.10 1gth h LYS 656 Cb 1.07 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.72 1gth h LYS 656 CO 0.11 0.90 -0.15 0.00 -2.27 0.00 0.00 179.45 178.03 1gth h ALA 657 N 1.10 0.50 -0.56 5.00 0.00 -0.93 -2.89 119.26 121.48 1gth h ALA 657 Ca 0.22 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1gth h ALA 657 Cb 0.27 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1gth h ALA 657 CO -0.01 0.41 0.35 1.49 0.00 0.00 0.00 179.25 181.49 1gth h GLU 658 N 0.52 0.75 0.00 0.00 4.81 -0.71 -2.59 114.58 117.36 1gth h GLU 658 Ca 0.08 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1gth h GLU 658 Cb 0.68 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 1gth h GLU 658 CO 0.05 0.52 -0.07 0.00 -0.73 0.00 0.00 179.01 178.77 1gth h ALA 659 N 1.18 1.42 0.00 2.92 0.00 -1.05 -1.91 119.26 121.83 1gth h ALA 659 Ca 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1gth h ALA 659 Cb -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1gth h ALA 659 CO -0.04 0.09 0.00 0.66 0.00 0.00 0.00 179.25 179.96 1gth h SER 660 N 0.00 0.00 0.00 0.00 4.64 -1.25 -3.46 113.55 113.48 1gth h SER 660 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1gth h SER 660 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1gth h SER 660 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1gth n GLY 661 N 0.23 1.09 3.73 -0.77 0.00 -0.72 -3.17 105.19 105.58 1gth n GLY 661 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.12 1.65 0.17 4.61 0.00 -1.23 -4.89 120.51 119.69 1gth n ALA 662 Ca 0.00 0.32 0.02 0.00 0.00 0.00 0.00 53.44 53.79 1gth n ALA 662 Cb 0.00 -2.31 0.27 0.00 0.00 0.00 0.00 19.45 17.40 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 2.52 0.00 -5.28 0.00 5.19 -1.65 -3.47 116.42 113.73 1gth h ASP 663 Ca -0.48 0.00 0.13 0.00 -0.62 0.00 0.00 57.03 56.06 1gth h ASP 663 Cb 1.27 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.74 1gth h ASP 663 CO 0.62 0.48 0.46 0.00 -3.12 0.00 0.00 179.24 177.69 1gth s ALA 664 N -3.67 -1.45 0.18 3.45 0.00 -1.23 -4.24 121.76 114.80 1gth s ALA 664 Ca -0.01 -0.22 0.09 0.00 0.00 0.00 0.00 51.96 51.83 1gth s ALA 664 Cb 0.12 0.70 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 1gth s ALA 664 CO 0.72 -1.04 -0.19 -0.51 0.00 0.00 0.00 175.76 174.74 1gth s LEU 665 N -3.12 2.45 -0.13 0.00 1.43 -0.77 -1.70 118.68 116.83 1gth s LEU 665 Ca 0.16 -0.87 -0.00 0.00 -1.03 0.00 0.00 54.13 52.38 1gth s LEU 665 Cb -0.03 -0.89 0.02 0.00 0.03 0.00 0.00 46.19 45.33 1gth s LEU 665 CO 0.05 -0.01 -0.09 -0.70 0.23 0.00 0.00 176.35 175.83 1gth s GLU 666 N -2.83 1.74 -0.40 1.70 2.12 0.17 -0.10 118.70 121.10 1gth s GLU 666 Ca 0.17 -0.36 -0.24 0.00 0.36 0.00 0.00 54.97 54.91 1gth s GLU 666 Cb -0.06 -1.76 0.02 0.00 0.26 0.00 0.00 34.13 32.59 1gth s GLU 666 CO 0.07 -0.27 0.83 -0.51 -0.54 0.00 0.00 175.26 174.84 1gth s LEU 667 N 1.64 4.12 -0.74 2.70 1.02 0.11 -1.22 118.68 126.31 1gth s LEU 667 Ca 0.05 0.24 -0.27 0.00 0.02 0.00 0.00 54.13 54.17 1gth s LEU 667 Cb -0.13 -3.07 0.03 0.00 0.02 0.00 0.00 46.19 43.04 1gth s LEU 667 CO -0.09 -0.85 1.27 0.21 0.02 0.00 0.00 176.35 176.92 1gth s ASN 668 N 1.99 6.16 -0.21 2.29 3.84 -0.51 -0.89 114.94 127.61 1gth s ASN 668 Ca 0.33 -0.46 0.11 0.00 0.21 0.00 0.00 52.86 53.05 1gth s ASN 668 Cb -0.12 -2.56 0.43 0.00 -0.55 0.00 0.00 41.25 38.45 1gth s ASN 668 CO 0.20 -1.83 1.21 0.18 -2.79 0.00 0.00 177.10 174.07 1gth n LEU 669 N 9.34 2.84 -0.41 3.21 4.77 -1.21 -4.51 117.00 131.04 1gth n LEU 669 Ca 0.03 -3.89 0.00 0.00 -0.03 0.00 0.00 56.01 52.12 1gth n LEU 669 Cb 0.49 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1gth n LEU 669 CO 0.71 1.43 0.24 -1.54 -1.33 0.00 0.00 177.39 176.90 1gth n SER 670 N -0.99 0.00 -4.64 -1.43 3.41 -1.24 -2.98 113.62 105.75 1gth n SER 670 Ca 0.21 -1.70 -0.42 0.00 -0.26 0.00 0.00 58.87 56.70 1gth n SER 670 Cb 0.74 -0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 64.53 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 7.76 0.72 -3.63 0.00 -0.04 -1.26 0.49 135.00 139.04 1gth n PRO 672 Ca 0.21 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.59 1gth n PRO 672 Cb 0.43 -1.41 -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 -0.32 0.00 0.54 -3.43 -1.26 -4.86 115.29 103.96 1gth s HIS 673 Ca 0.28 0.04 0.00 0.00 -0.80 0.00 0.00 55.06 54.58 1gth s HIS 673 Cb 0.13 0.61 0.00 0.00 -1.43 0.00 0.00 32.58 31.89 1gth s HIS 673 CO 0.22 -0.89 0.00 0.41 -2.00 0.00 0.00 174.74 172.47 1gth n GLY 674 N -0.39 0.39 0.18 -1.38 0.00 -1.26 -4.19 105.19 98.53 1gth n GLY 674 Ca -0.10 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 1.61 2.86 -1.88 -1.63 114.93 115.89 1gth h MET 675 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1gth h MET 675 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1gth h MET 675 CO 0.00 0.00 0.00 0.78 1.06 0.00 0.00 176.91 178.75 1gth h GLY 676 N 1.09 0.00 0.75 8.32 0.00 -1.69 -1.23 103.07 110.31 1gth h GLY 676 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1gth h GLY 676 CO 0.00 0.00 -0.54 1.18 0.00 0.00 0.00 176.54 177.18 1gth n GLU 677 N -2.60 0.12 -0.47 4.80 1.02 -0.61 -3.43 120.64 119.47 1gth n GLU 677 Ca 0.02 -0.07 0.08 0.00 -0.02 0.00 0.00 57.16 57.17 1gth n GLU 677 Cb 0.31 -1.50 0.27 0.00 -0.02 0.00 0.00 31.44 30.50 1gth n GLU 677 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1gth n ARG 678 N -1.38 3.21 0.00 3.49 1.74 -0.92 -4.97 116.66 117.83 1gth n ARG 678 Ca 0.06 -2.77 0.00 0.00 -0.77 0.00 0.00 57.85 54.37 1gth n ARG 678 Cb 0.34 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 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 -0.13 2.98 0.00 -0.13 0.00 -1.15 -4.84 105.19 101.92 1gth n GLY 679 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1gth n GLY 679 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1gth n MET 680 N -0.69 2.55 0.00 1.61 -0.00 -0.51 -4.52 117.12 115.57 1gth n MET 680 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.70 1gth n MET 680 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 33.22 33.22 1gth n MET 680 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1gth n GLY 681 N 5.00 2.90 0.34 3.17 0.00 -1.26 -2.84 105.19 112.50 1gth n GLY 681 Ca 0.00 -0.22 0.18 0.00 0.00 0.00 0.00 46.02 45.98 1gth n GLY 681 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1gth h LEU 682 N 0.00 0.61 0.00 0.99 5.85 -0.19 -2.69 115.31 119.88 1gth h LEU 682 Ca 0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1gth h LEU 682 Cb 0.00 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1gth h LEU 682 CO 0.00 0.04 0.00 0.00 -0.34 0.00 0.00 178.44 178.14 1gth n ALA 683 N -2.33 -0.22 -0.18 1.25 0.00 -1.24 -3.15 120.51 114.63 1gth n ALA 683 Ca 0.27 0.00 0.30 0.00 0.00 0.00 0.00 53.44 54.01 1gth n ALA 683 Cb 0.78 0.02 0.72 0.00 0.00 0.00 0.00 19.45 20.97 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 -1.69 -1.25 0.01 0.00 0.00 -1.02 -3.78 105.19 97.46 1gth n GLY 685 Ca 0.19 -0.19 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.28 0.13 -3.71 1.61 6.02 -0.65 -4.71 117.38 114.79 1gth n GLN 686 Ca 0.11 -0.02 -0.38 0.00 -0.01 0.00 0.00 57.00 56.70 1gth n GLN 686 Cb 0.29 -1.53 -0.12 0.00 1.02 0.00 0.00 30.24 29.91 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 -3.38 5.37 0.48 1.08 -1.08 -1.25 -4.98 116.67 112.91 1gth s ASP 687 Ca 0.06 -0.86 0.22 0.00 -0.52 0.00 0.00 52.55 51.45 1gth s ASP 687 Cb 0.16 -1.93 1.25 0.00 -1.46 0.00 0.00 42.92 40.95 1gth s ASP 687 CO 0.83 -0.27 1.93 1.55 0.52 0.00 0.00 175.17 179.72 1gth h PRO 688 N 8.29 0.19 -0.19 4.34 0.13 -1.88 -1.58 132.00 141.30 1gth h PRO 688 Ca -0.28 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.82 1gth h PRO 688 Cb 1.11 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1gth h PRO 688 CO 0.62 0.13 0.06 1.49 -0.23 0.00 0.00 178.00 180.07 1gth h GLU 689 N 0.20 0.30 -0.56 0.86 4.81 -1.94 -0.61 114.58 117.64 1gth h GLU 689 Ca 0.36 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.45 1gth h GLU 689 Cb 1.13 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 1gth h GLU 689 CO -0.07 0.40 0.05 -0.07 -0.73 0.00 0.00 179.01 178.60 1gth h LEU 690 N 0.14 0.93 -0.71 1.64 3.38 -1.61 -2.05 115.31 117.03 1gth h LEU 690 Ca 0.06 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1gth h LEU 690 Cb 0.23 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1gth h LEU 690 CO -0.00 0.97 0.44 0.58 0.09 0.00 0.00 178.44 180.52 1gth h VAL 691 N 0.84 1.20 -0.41 1.22 2.07 -1.20 -1.19 116.25 118.78 1gth h VAL 691 Ca 0.17 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1gth h VAL 691 Cb 0.47 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1gth h VAL 691 CO 0.02 0.20 0.20 -0.09 0.02 0.00 0.00 177.57 177.92 1gth h ARG 692 N 0.96 0.59 -0.43 1.57 2.43 -0.87 -2.24 114.38 116.38 1gth h ARG 692 Ca 0.26 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 1gth h ARG 692 Cb -0.05 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 1gth h ARG 692 CO -0.05 0.50 0.05 -0.91 -1.51 0.00 0.00 179.97 178.05 1gth h ASN 693 N 0.52 0.71 -0.74 -3.80 2.35 -1.07 -1.73 115.58 111.82 1gth h ASN 693 Ca 0.14 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1gth h ASN 693 Cb 0.10 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.25 1gth h ASN 693 CO -0.02 0.81 0.48 0.40 -1.65 0.00 0.00 177.43 177.45 1gth h ILE 694 N 0.58 1.20 -0.23 2.81 2.04 -1.15 -0.41 117.51 122.35 1gth h ILE 694 Ca 0.13 -0.39 -0.07 0.00 1.00 0.00 0.00 64.86 65.52 1gth h ILE 694 Cb 0.42 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1gth h ILE 694 CO 0.01 0.20 -0.18 0.00 0.00 0.00 0.00 178.15 178.18 1gth h ARG 696 N 0.37 0.78 -0.65 0.00 3.08 -0.41 0.77 114.38 118.32 1gth h ARG 696 Ca 0.07 -0.29 0.01 0.00 0.07 0.00 0.00 59.98 59.83 1gth h ARG 696 Cb 0.53 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 1gth h ARG 696 CO 0.03 0.90 0.43 -1.49 -1.07 0.00 0.00 179.97 178.78 1gth h TRP 697 N 0.59 0.81 -0.21 3.04 6.55 -0.79 -2.40 115.95 123.54 1gth h TRP 697 Ca 0.10 0.02 -0.17 0.00 0.95 0.00 0.00 58.89 59.80 1gth h TRP 697 Cb 0.61 -0.27 0.00 0.00 -0.86 0.00 0.00 29.16 28.64 1gth h TRP 697 CO 0.05 0.51 -0.52 0.28 -1.05 0.00 0.00 178.44 177.71 1gth h VAL 698 N 0.88 1.30 -0.99 1.49 2.07 -1.26 -2.76 116.25 116.99 1gth h VAL 698 Ca 0.24 -1.73 0.09 0.00 0.82 0.00 0.00 66.70 66.12 1gth h VAL 698 Cb -0.09 1.84 -0.07 0.00 -1.52 0.00 0.00 31.29 31.44 1gth h VAL 698 CO -0.06 0.55 0.63 -0.09 0.02 0.00 0.00 177.57 178.62 1gth h ARG 699 N 0.44 1.05 0.00 1.57 9.65 -0.62 -0.40 114.38 126.07 1gth h ARG 699 Ca -0.00 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 1gth h ARG 699 Cb 1.13 -0.24 0.00 0.00 -1.39 0.00 0.00 29.97 29.47 1gth h ARG 699 CO 0.11 0.70 -0.19 0.00 2.80 0.00 0.00 179.97 183.39 1gth n GLN 700 N -4.56 0.10 0.02 0.20 10.64 -0.92 -3.87 117.38 118.98 1gth n GLN 700 Ca 0.16 0.06 -0.14 0.00 -1.83 0.00 0.00 57.00 55.26 1gth n GLN 700 Cb 0.25 -1.60 -0.14 0.00 -0.86 0.00 0.00 30.24 27.89 1gth n GLN 700 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1gth h ALA 701 N 2.82 0.49 -2.20 2.61 0.00 -0.79 -3.48 119.26 118.70 1gth h ALA 701 Ca 0.00 -1.29 -0.37 0.00 0.00 0.00 0.00 54.91 53.25 1gth h ALA 701 Cb 0.59 0.42 -0.14 0.00 0.00 0.00 0.00 17.79 18.66 1gth h ALA 701 CO 0.00 1.35 -0.66 0.14 0.00 0.00 0.00 179.25 180.08 1gth s VAL 702 N -2.60 1.03 -0.03 0.00 -7.23 -0.73 -4.77 120.40 106.07 1gth s VAL 702 Ca -0.10 -2.03 0.15 0.00 -1.81 0.00 0.00 61.98 58.18 1gth s VAL 702 Cb 0.07 -2.32 -0.22 0.00 0.56 0.00 0.00 36.38 34.47 1gth s VAL 702 CO 0.82 -0.35 0.30 0.00 -0.31 0.00 0.00 175.10 175.56 1gth n GLN 703 N -0.40 0.57 -1.32 4.82 6.02 -1.26 -4.75 117.38 121.05 1gth n GLN 703 Ca -0.05 -0.12 -0.31 0.00 -0.01 0.00 0.00 57.00 56.50 1gth n GLN 703 Cb 0.64 -1.35 0.08 0.00 1.02 0.00 0.00 30.24 30.63 1gth n GLN 703 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1gth s ILE 704 N -2.95 3.44 0.72 5.09 -4.36 -1.26 -4.99 121.20 116.88 1gth s ILE 704 Ca -0.06 0.47 -0.13 0.00 -0.26 0.00 0.00 60.65 60.68 1gth s ILE 704 Cb 0.09 -3.00 0.03 0.00 1.25 0.00 0.00 42.46 40.83 1gth s ILE 704 CO 0.61 -0.61 1.10 -2.16 0.24 0.00 0.00 174.94 174.12 1gth s PRO 705 N -4.91 2.52 -0.02 0.37 0.04 -1.26 -4.88 135.00 126.86 1gth s PRO 705 Ca 0.61 1.27 -0.13 0.00 0.04 0.00 0.00 61.00 62.79 1gth s PRO 705 Cb -0.17 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.47 1gth s PRO 705 CO 0.56 -1.45 0.27 -0.59 0.04 0.00 0.00 177.00 175.82 1gth s PHE 706 N -2.65 -0.14 0.04 0.56 -0.12 -1.26 -1.85 117.98 112.56 1gth s PHE 706 Ca 0.64 0.21 0.07 0.00 -0.05 0.00 0.00 56.93 57.80 1gth s PHE 706 Cb -0.19 0.06 -0.02 0.00 -0.63 0.00 0.00 43.02 42.24 1gth s PHE 706 CO 0.49 -0.34 -0.20 -0.06 -0.05 0.00 0.00 175.22 175.05 1gth s PHE 707 N -1.21 1.78 -0.21 3.49 0.40 0.86 -1.03 117.98 122.06 1gth s PHE 707 Ca -0.13 -0.37 -0.15 0.00 -0.60 0.00 0.00 56.93 55.68 1gth s PHE 707 Cb -0.06 -1.07 -0.04 0.00 0.51 0.00 0.00 43.02 42.37 1gth s PHE 707 CO 0.03 0.08 0.36 0.00 0.70 0.00 0.00 175.22 176.40 1gth s ALA 708 N -0.79 3.57 -0.37 5.36 0.00 -0.93 0.06 121.76 128.65 1gth s ALA 708 Ca 0.07 -0.59 -0.22 0.00 0.00 0.00 0.00 51.96 51.22 1gth s ALA 708 Cb -0.09 -2.59 0.01 0.00 0.00 0.00 0.00 23.12 20.45 1gth s ALA 708 CO 0.02 -0.30 0.73 0.21 0.00 0.00 0.00 175.76 176.42 1gth s LYS 709 N 1.31 3.68 0.28 0.00 2.20 -0.07 -1.02 119.74 126.12 1gth s LYS 709 Ca 0.17 0.16 -0.12 0.00 -0.36 0.00 0.00 55.97 55.82 1gth s LYS 709 Cb -0.15 -3.83 -0.08 0.00 -1.51 0.00 0.00 37.83 32.27 1gth s LYS 709 CO 0.07 -0.84 0.65 -0.51 -0.36 0.00 0.00 175.35 174.36 1gth s LEU 710 N 2.98 4.11 0.15 5.43 1.43 -0.24 -3.33 118.68 129.21 1gth s LEU 710 Ca 0.29 1.10 -0.06 0.00 -1.03 0.00 0.00 54.13 54.43 1gth s LEU 710 Cb -0.14 -3.89 -0.06 0.00 0.03 0.00 0.00 46.19 42.14 1gth s LEU 710 CO 0.17 -0.15 0.41 0.28 0.23 0.00 0.00 176.35 177.29 1gth s THR 711 N -1.91 5.12 -0.90 5.49 -1.32 -1.26 -1.04 115.64 119.82 1gth s THR 711 Ca 0.51 0.14 0.25 0.00 -1.21 0.00 0.00 61.69 61.37 1gth s THR 711 Cb -0.11 -3.62 0.03 0.00 -1.51 0.00 0.00 72.50 67.29 1gth s THR 711 CO 0.19 0.04 1.42 -0.81 -2.21 0.00 0.00 174.62 173.25 1gth n PRO 712 N 0.11 0.08 -1.30 7.08 -0.04 -1.26 -4.50 135.00 135.17 1gth n PRO 712 Ca -0.02 0.02 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 1gth n PRO 712 Cb 0.52 -1.55 -0.03 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.67 8.68 -3.83 3.54 3.02 -1.26 -4.82 115.26 118.93 1gth n ASN 713 Ca 0.05 -2.57 -0.11 0.00 -0.03 0.00 0.00 54.58 51.93 1gth n ASN 713 Cb 0.36 -1.56 -0.08 0.00 -0.61 0.00 0.00 39.78 37.90 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 2.14 0.10 0.15 2.41 -7.23 -1.26 -4.98 120.40 111.72 1gth s VAL 714 Ca 0.70 -0.85 -0.15 0.00 -1.81 0.00 0.00 61.98 59.87 1gth s VAL 714 Cb 0.18 -0.89 0.02 0.00 0.56 0.00 0.00 36.38 36.25 1gth s VAL 714 CO -0.06 -0.47 1.69 0.74 -0.31 0.00 0.00 175.10 176.70 1gth h THR 715 N 3.46 1.21 -3.04 5.32 2.02 -1.95 -3.39 112.91 116.53 1gth h THR 715 Ca -0.32 -0.65 -0.58 0.00 0.77 0.00 0.00 66.41 65.63 1gth h THR 715 Cb 1.19 0.77 -0.40 0.00 -1.74 0.00 0.00 68.15 67.97 1gth h THR 715 CO 0.47 0.24 -0.76 -0.62 0.37 0.00 0.00 175.52 175.22 1gth s ASP 716 N -5.94 3.84 0.52 4.18 3.68 -1.26 -4.99 116.67 116.70 1gth s ASP 716 Ca -0.13 -1.81 0.29 0.00 2.13 0.00 0.00 52.55 53.04 1gth s ASP 716 Cb 0.11 -0.80 1.41 0.00 -1.45 0.00 0.00 42.92 42.19 1gth s ASP 716 CO 0.77 -0.39 2.03 -0.29 0.13 0.00 0.00 175.17 177.42 1gth h ILE 717 N 6.17 0.42 -0.53 4.11 2.10 -1.92 -2.55 117.51 125.30 1gth h ILE 717 Ca -0.11 -0.61 -0.06 0.00 1.08 0.00 0.00 64.86 65.16 1gth h ILE 717 Cb 1.00 1.43 -0.02 0.00 -1.09 0.00 0.00 36.82 38.14 1gth h ILE 717 CO 0.45 0.11 0.09 0.58 -1.08 0.00 0.00 178.15 178.30 1gth h VAL 718 N 0.00 1.23 -0.76 2.19 2.07 -1.94 -1.77 116.25 117.27 1gth h VAL 718 Ca -0.00 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.61 1gth h VAL 718 Cb 0.43 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 1gth h VAL 718 CO 0.01 0.32 0.38 0.77 0.02 0.00 0.00 177.57 179.08 1gth h SER 719 N 0.80 0.98 0.77 0.57 4.64 -1.89 0.18 113.55 119.60 1gth h SER 719 Ca 0.17 -0.10 -0.22 0.00 -0.47 0.00 0.00 61.79 61.16 1gth h SER 719 Cb 0.35 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1gth h SER 719 CO 0.01 0.82 -1.03 0.16 -0.87 0.00 0.00 176.83 175.91 1gth h ILE 720 N 1.08 1.59 -0.42 0.95 3.07 -1.61 -1.77 117.51 120.40 1gth h ILE 720 Ca 0.26 -3.07 -0.06 0.00 1.55 0.00 0.00 64.86 63.55 1gth h ILE 720 Cb 0.09 2.75 -0.02 0.00 -0.27 0.00 0.00 36.82 39.38 1gth h ILE 720 CO -0.04 0.89 0.02 0.00 -1.05 0.00 0.00 178.15 177.97 1gth h ALA 721 N 0.88 0.56 -0.36 0.16 0.00 -0.94 -1.26 119.26 118.30 1gth h ALA 721 Ca -0.06 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 1gth h ALA 721 Cb 1.74 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 1gth h ALA 721 CO 0.15 0.32 -0.08 -0.09 0.00 0.00 0.00 179.25 179.55 1gth h ARG 722 N 0.56 0.61 -0.58 0.00 2.43 -0.65 -1.56 114.38 115.19 1gth h ARG 722 Ca 0.12 -0.17 -0.06 0.00 -0.81 0.00 0.00 59.98 59.06 1gth h ARG 722 Cb 0.45 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 1gth h ARG 722 CO 0.02 0.69 0.11 0.00 -1.51 0.00 0.00 179.97 179.28 1gth h ALA 723 N 1.35 1.11 -0.42 2.80 0.00 -0.97 -0.20 119.26 122.93 1gth h ALA 723 Ca 0.11 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1gth h ALA 723 Cb 0.48 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1gth h ALA 723 CO 0.03 0.59 -0.12 0.00 0.00 0.00 0.00 179.25 179.75 1gth h ALA 724 N 1.25 0.57 -0.64 0.00 0.00 -0.72 -0.68 119.26 119.04 1gth h ALA 724 Ca 0.18 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1gth h ALA 724 Cb 0.36 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1gth h ALA 724 CO 0.00 0.47 0.25 -0.22 0.00 0.00 0.00 179.25 179.75 1gth h LYS 725 N 0.63 0.96 0.00 0.00 3.64 -0.94 -0.55 116.57 120.32 1gth h LYS 725 Ca 0.10 -0.18 -0.07 0.00 -1.27 0.00 0.00 60.65 59.24 1gth h LYS 725 Cb 0.65 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1gth h LYS 725 CO 0.04 0.81 -0.32 0.93 -2.27 0.00 0.00 179.45 178.65 1gth h GLU 726 N 0.90 0.00 0.00 1.90 5.08 -0.88 -2.28 114.58 119.30 1gth h GLU 726 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1gth h GLU 726 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1gth h GLU 726 CO -0.02 0.32 0.00 0.41 -1.00 0.00 0.00 179.01 178.72 1gth n GLY 727 N -0.52 -1.45 0.00 -3.84 0.00 -0.28 -4.90 105.19 94.21 1gth n GLY 727 Ca -0.02 -0.10 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 1.35 1.06 3.76 -0.02 0.00 -0.86 -2.67 105.19 107.82 1gth n GLY 728 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 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 2.86 -1.71 4.61 0.00 -0.28 -4.89 121.76 120.35 1gth s ALA 729 Ca 0.00 1.15 0.28 0.00 0.00 0.00 0.00 51.96 53.39 1gth s ALA 729 Cb 0.00 -3.48 1.10 0.00 0.00 0.00 0.00 23.12 20.74 1gth s ALA 729 CO 0.00 -1.07 1.78 -0.25 0.00 0.00 0.00 175.76 176.22 1gth n ASP 730 N -0.84 0.65 0.00 0.00 8.00 -0.20 -4.65 116.55 119.51 1gth n ASP 730 Ca 0.09 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 54.89 1gth n ASP 730 Cb 0.47 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 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 1.29 -2.23 3.07 0.44 0.00 -1.24 -4.28 105.19 102.24 1gth n GLY 731 Ca 0.14 -1.21 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.09 0.52 -0.25 1.61 -7.23 -0.67 -2.20 120.40 110.10 1gth s VAL 732 Ca 0.00 -1.16 -0.08 0.00 -1.81 0.00 0.00 61.98 58.92 1gth s VAL 732 Cb 0.00 -0.70 -0.04 0.00 0.56 0.00 0.00 36.38 36.20 1gth s VAL 732 CO 0.00 -0.45 0.10 -0.89 -0.31 0.00 0.00 175.10 173.55 1gth s THR 733 N -1.64 4.63 -0.18 5.32 2.01 -0.19 -0.88 115.64 124.71 1gth s THR 733 Ca -0.08 -0.07 0.01 0.00 0.31 0.00 0.00 61.69 61.86 1gth s THR 733 Cb -0.08 -3.17 0.04 0.00 0.01 0.00 0.00 72.50 69.29 1gth s THR 733 CO -0.00 0.33 -0.11 0.00 -0.69 0.00 0.00 174.62 174.15 1gth s ALA 734 N 1.52 1.88 0.34 7.40 0.00 0.08 -1.08 121.76 131.90 1gth s ALA 734 Ca 0.06 -1.05 0.04 0.00 0.00 0.00 0.00 51.96 51.01 1gth s ALA 734 Cb -0.15 -1.18 -0.02 0.00 0.00 0.00 0.00 23.12 21.77 1gth s ALA 734 CO 0.05 -0.67 0.35 0.95 0.00 0.00 0.00 175.76 176.44 1gth s THR 735 N 1.46 0.00 0.24 0.00 -4.23 -0.24 -0.81 115.64 112.07 1gth s THR 735 Ca 0.01 -1.86 -0.03 0.00 -1.18 0.00 0.00 61.69 58.63 1gth s THR 735 Cb -0.15 -2.56 0.05 0.00 1.34 0.00 0.00 72.50 71.19 1gth s THR 735 CO -0.09 0.00 0.33 -3.20 -0.54 0.00 0.00 174.62 171.12 1gth n ASN 736 N -1.53 0.11 -4.76 3.99 2.85 -0.20 -4.58 115.26 111.15 1gth n ASN 736 Ca 0.05 -1.17 -0.33 0.00 -0.11 0.00 0.00 54.58 53.02 1gth n ASN 736 Cb 0.62 -0.25 0.06 0.00 1.24 0.00 0.00 39.78 41.45 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 -1.49 3.01 -0.06 -0.44 -4.23 -1.26 -4.51 115.64 106.66 1gth s THR 737 Ca 0.19 0.47 -0.21 0.00 -1.18 0.00 0.00 61.69 60.96 1gth s THR 737 Cb -0.01 -2.99 -0.04 0.00 1.34 0.00 0.00 72.50 70.80 1gth s THR 737 CO 0.13 -0.29 0.60 -0.69 -0.54 0.00 0.00 174.62 173.83 1gth s VAL 738 N -2.28 5.04 0.09 2.29 1.01 -0.60 -4.56 120.40 121.39 1gth s VAL 738 Ca 0.68 1.24 -0.31 0.00 0.00 0.00 0.00 61.98 63.59 1gth s VAL 738 Cb -0.22 -3.94 -0.08 0.00 0.00 0.00 0.00 36.38 32.13 1gth s VAL 738 CO 0.43 0.33 1.55 -0.55 0.00 0.00 0.00 175.10 176.86 1gth s SER 739 N 0.43 6.68 0.25 3.32 0.15 -1.26 0.75 113.70 124.02 1gth s SER 739 Ca 0.32 2.43 -0.19 0.00 0.70 0.00 0.00 55.95 59.21 1gth s SER 739 Cb -0.17 -2.57 0.07 0.00 -1.71 0.00 0.00 66.02 61.63 1gth s SER 739 CO 0.16 -0.81 0.92 0.61 1.20 0.00 0.00 173.24 175.32 1gth n GLY 740 N 3.80 0.76 2.85 9.45 0.00 -0.64 -4.88 105.19 116.53 1gth n GLY 740 Ca 0.14 -1.18 -0.26 0.00 0.00 0.00 0.00 46.02 44.72 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 1.15 0.22 0.99 0.20 -1.26 -1.62 118.68 118.36 1gth s LEU 741 Ca 0.20 -0.40 0.24 0.00 0.69 0.00 0.00 54.13 54.86 1gth s LEU 741 Cb -0.03 -0.73 0.91 0.00 -0.43 0.00 0.00 46.19 45.91 1gth s LEU 741 CO 0.07 -0.18 1.73 0.80 -0.29 0.00 0.00 176.35 178.49 1gth n MET 742 N 4.99 0.20 0.00 1.98 0.00 -1.26 -4.99 117.12 118.03 1gth n MET 742 Ca -0.11 0.33 0.00 0.00 -0.00 0.00 0.00 57.70 57.92 1gth n MET 742 Cb 0.49 -1.82 0.00 0.00 0.00 0.00 0.00 33.22 31.89 1gth n MET 742 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1gth n GLY 743 N 0.51 2.93 3.25 -5.12 0.00 -1.26 -4.60 105.19 100.90 1gth n GLY 743 Ca 0.04 -1.78 -0.17 0.00 0.00 0.00 0.00 46.02 44.11 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 2.46 0.77 0.99 1.43 -1.26 -3.09 118.68 119.98 1gth s LEU 744 Ca 0.00 -0.89 -0.12 0.00 -1.03 0.00 0.00 54.13 52.09 1gth s LEU 744 Cb 0.00 -0.49 0.05 0.00 0.03 0.00 0.00 46.19 45.78 1gth s LEU 744 CO 0.00 -0.21 1.14 -0.54 0.23 0.00 0.00 176.35 176.97 1gth s LYS 745 N -3.10 2.31 0.65 1.70 -0.14 0.59 -4.91 119.74 116.83 1gth s LYS 745 Ca 0.13 0.31 0.40 0.00 -1.36 0.00 0.00 55.97 55.45 1gth s LYS 745 Cb -0.02 -1.97 2.24 0.00 -1.68 0.00 0.00 37.83 36.40 1gth s LYS 745 CO 0.03 -1.39 2.32 0.00 -0.76 0.00 0.00 175.35 175.54 1gth h ALA 746 N -0.91 1.16 -0.17 5.17 0.00 -2.01 -0.17 119.26 122.33 1gth h ALA 746 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1gth h ALA 746 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1gth h ALA 746 CO 0.64 -0.03 0.00 -0.40 0.00 0.00 0.00 179.25 179.46 1gth n ASP 747 N -3.26 1.58 0.00 0.00 3.85 -1.26 -4.92 116.55 112.53 1gth n ASP 747 Ca -0.03 -1.71 0.00 0.00 -0.71 0.00 0.00 54.79 52.34 1gth n ASP 747 Cb 0.10 -0.11 0.00 0.00 -1.35 0.00 0.00 41.12 39.76 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 1.10 1.36 3.79 6.12 0.00 -0.08 -5.06 105.19 112.43 1gth n GLY 748 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.32 4.03 0.73 2.61 -4.23 -1.26 -4.73 115.64 110.47 1gth s THR 749 Ca 0.00 1.52 -0.07 0.00 -1.18 0.00 0.00 61.69 61.96 1gth s THR 749 Cb 0.00 -3.77 0.08 0.00 1.34 0.00 0.00 72.50 70.14 1gth s THR 749 CO 0.00 -0.02 1.04 -2.16 -0.54 0.00 0.00 174.62 172.94 1gth s PRO 750 N -2.50 2.04 -0.13 3.99 0.04 -1.26 -0.30 135.00 136.88 1gth s PRO 750 Ca 0.56 -0.31 -0.04 0.00 0.04 0.00 0.00 61.00 61.24 1gth s PRO 750 Cb -0.18 -2.15 0.06 0.00 0.04 0.00 0.00 34.50 32.27 1gth s PRO 750 CO 0.23 -1.35 0.24 -0.46 0.04 0.00 0.00 177.00 175.70 1gth s TRP 751 N -3.29 -0.37 0.57 0.56 -0.11 -1.18 -3.55 118.94 111.57 1gth s TRP 751 Ca 0.62 0.83 -0.20 0.00 1.22 0.00 0.00 56.10 58.57 1gth s TRP 751 Cb -0.10 -0.11 -0.04 0.00 -1.50 0.00 0.00 33.47 31.72 1gth s TRP 751 CO 0.45 -0.37 1.22 -1.25 -4.62 0.00 0.00 176.95 172.38 1gth s PRO 752 N 2.39 3.10 -0.12 5.86 0.04 -1.26 -4.44 135.00 140.57 1gth s PRO 752 Ca 0.02 1.86 0.01 0.00 0.04 0.00 0.00 61.00 62.94 1gth s PRO 752 Cb -0.12 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.41 1gth s PRO 752 CO -0.08 -1.11 -0.15 0.00 0.04 0.00 0.00 177.00 175.70 1gth s ALA 753 N -1.56 1.70 -0.14 8.56 0.00 -1.23 -4.48 121.76 124.62 1gth s ALA 753 Ca 0.75 -0.75 -0.04 0.00 0.00 0.00 0.00 51.96 51.92 1gth s ALA 753 Cb -0.31 -0.87 -0.03 0.00 0.00 0.00 0.00 23.12 21.90 1gth s ALA 753 CO 0.35 -0.15 -0.02 0.08 0.00 0.00 0.00 175.76 176.02 1gth s VAL 754 N 1.11 4.09 0.14 0.00 1.01 0.20 -4.38 120.40 122.57 1gth s VAL 754 Ca -0.04 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1gth s VAL 754 Cb -0.14 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.46 1gth s VAL 754 CO -0.04 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.19 1gth n GLY 755 N 3.17 -1.61 0.25 4.51 0.00 -1.26 -1.92 105.19 108.33 1gth n GLY 755 Ca -0.18 -1.39 0.08 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.51 1.63 0.00 4.61 0.00 -2.00 -1.41 119.26 121.58 1gth h ALA 756 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1gth h ALA 756 Cb 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1gth h ALA 756 CO 0.01 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.82 1gth n GLY 757 N -1.05 -1.04 3.94 0.00 0.00 -1.26 -4.92 105.19 100.87 1gth n GLY 757 Ca -0.02 -0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.16 -3.34 -3.04 1.61 5.02 -0.53 -4.96 118.16 111.76 1gth n LYS 758 Ca 0.16 0.41 -0.24 0.00 -2.02 0.00 0.00 58.31 56.63 1gth n LYS 758 Cb 0.16 -4.55 0.00 0.00 -0.02 0.00 0.00 35.03 30.63 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 -6.53 3.23 0.35 1.97 0.52 -0.81 -4.44 118.95 113.24 1gth s ARG 759 Ca 0.00 -0.36 -0.12 0.00 -0.52 0.00 0.00 55.73 54.73 1gth s ARG 759 Cb -0.00 -2.56 0.03 0.00 0.52 0.00 0.00 34.95 32.94 1gth s ARG 759 CO 0.89 -0.16 0.66 -0.08 0.02 0.00 0.00 175.30 176.63 1gth s THR 760 N -2.52 0.00 0.15 0.02 -1.32 -1.26 0.61 115.64 111.32 1gth s THR 760 Ca 0.46 -1.21 -0.10 0.00 -1.21 0.00 0.00 61.69 59.63 1gth s THR 760 Cb -0.10 -2.65 -0.00 0.00 -1.51 0.00 0.00 72.50 68.23 1gth s THR 760 CO 0.38 0.00 0.29 0.28 -2.21 0.00 0.00 174.62 173.36 1gth s THR 761 N -2.85 0.08 0.27 5.08 -1.32 -1.26 -5.07 115.64 110.56 1gth s THR 761 Ca 0.20 -1.30 -0.30 0.00 -1.21 0.00 0.00 61.69 59.07 1gth s THR 761 Cb -0.03 -1.73 -0.13 0.00 -1.51 0.00 0.00 72.50 69.10 1gth s THR 761 CO 0.13 -0.34 1.47 -1.22 -2.21 0.00 0.00 174.62 172.45 1gth n TYR 762 N -0.20 2.45 -3.66 9.09 0.53 -1.26 -4.99 117.16 119.12 1gth n TYR 762 Ca -0.09 0.38 0.00 0.00 -1.02 0.00 0.00 57.90 57.17 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 1.98 4.59 3.39 2.72 0.00 -0.64 -4.73 105.19 112.51 1gth n GLY 763 Ca 0.09 -2.16 -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 -0.91 1.62 -0.08 -0.02 0.00 -0.04 -1.62 107.32 106.28 1gth s GLY 764 Ca 0.00 -0.96 -0.19 0.00 0.00 0.00 0.00 44.72 43.57 1gth s GLY 764 CO 0.00 0.05 0.52 0.14 0.00 0.00 0.00 173.10 173.81 1gth s VAL 765 N 0.72 5.10 0.33 1.40 1.01 0.23 -1.62 120.40 127.58 1gth s VAL 765 Ca -0.03 1.05 0.03 0.00 0.00 0.00 0.00 61.98 63.03 1gth s VAL 765 Cb -0.15 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 1gth s VAL 765 CO 0.02 0.36 0.10 -0.94 0.00 0.00 0.00 175.10 174.64 1gth s SER 766 N 0.31 2.15 0.00 3.32 1.04 -0.22 -1.55 113.70 118.75 1gth s SER 766 Ca 0.28 -1.49 0.00 0.00 0.48 0.00 0.00 55.95 55.22 1gth s SER 766 Cb -0.16 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.16 1gth s SER 766 CO 0.13 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.19 1gth n GLY 767 N -0.69 -2.99 0.30 7.32 0.00 -1.26 -2.05 105.19 105.82 1gth n GLY 767 Ca -0.02 -2.09 0.15 0.00 0.00 0.00 0.00 46.02 44.06 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 0.54 0.00 2.61 1.35 -1.74 -1.94 112.91 113.73 1gth h THR 768 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 1gth h THR 768 Cb 0.00 0.96 -0.00 0.00 -1.73 0.00 0.00 68.15 67.38 1gth h THR 768 CO 0.00 0.00 -0.05 0.00 -0.25 0.00 0.00 175.52 175.22 1gth h ALA 769 N 1.94 1.49 -0.14 6.62 0.00 -1.19 -2.25 119.26 125.73 1gth h ALA 769 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1gth h ALA 769 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1gth h ALA 769 CO -0.00 0.07 0.00 0.44 0.00 0.00 0.00 179.25 179.76 1gth n ILE 770 N -3.86 0.19 -0.33 0.00 -5.35 -0.73 -4.57 119.36 104.71 1gth n ILE 770 Ca -0.03 -0.59 0.04 0.00 -0.27 0.00 0.00 62.75 61.90 1gth n ILE 770 Cb 0.15 1.24 0.19 0.00 -1.74 0.00 0.00 39.64 39.48 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 3.82 0.91 -0.47 6.28 2.43 -1.41 -1.17 114.38 124.76 1gth h ARG 771 Ca 0.00 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.16 1gth h ARG 771 Cb 0.84 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 30.16 1gth h ARG 771 CO 0.00 0.60 0.32 -1.35 -1.51 0.00 0.00 179.97 178.03 1gth h PRO 772 N 0.94 0.46 -0.09 0.20 0.11 -1.80 0.39 132.00 132.20 1gth h PRO 772 Ca 0.43 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 66.32 1gth h PRO 772 Cb 0.35 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.37 1gth h PRO 772 CO -0.23 0.30 -0.72 0.82 -0.21 0.00 0.00 178.00 177.96 1gth h ILE 773 N 0.47 1.32 -0.42 4.15 2.04 -1.58 -2.48 117.51 121.02 1gth h ILE 773 Ca 0.20 -1.99 -0.13 0.00 1.00 0.00 0.00 64.86 63.94 1gth h ILE 773 Cb 0.20 2.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 1gth h ILE 773 CO -0.05 0.61 -0.24 0.00 0.00 0.00 0.00 178.15 178.47 1gth h ALA 774 N 0.47 0.60 -0.71 1.87 0.00 -0.51 -1.62 119.26 119.36 1gth h ALA 774 Ca -0.06 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 1gth h ALA 774 Cb 1.37 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1gth h ALA 774 CO 0.15 0.60 0.27 -0.07 0.00 0.00 0.00 179.25 180.20 1gth h LEU 775 N 0.74 0.99 -0.35 0.00 3.38 -0.30 -0.18 115.31 119.59 1gth h LEU 775 Ca 0.09 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1gth h LEU 775 Cb 0.82 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1gth h LEU 775 CO 0.07 0.90 0.12 -0.09 0.09 0.00 0.00 178.44 179.53 1gth h ARG 776 N 1.02 0.54 -0.32 1.13 2.43 -1.36 -1.46 114.38 116.37 1gth h ARG 776 Ca 0.23 -0.11 0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1gth h ARG 776 Cb 0.23 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1gth h ARG 776 CO -0.02 0.56 0.19 0.00 -1.51 0.00 0.00 179.97 179.19 1gth h ALA 777 N 0.96 0.40 -0.30 2.80 0.00 -0.95 -0.66 119.26 121.50 1gth h ALA 777 Ca 0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1gth h ALA 777 Cb 0.24 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1gth h ALA 777 CO -0.00 -0.17 0.13 0.28 0.00 0.00 0.00 179.25 179.48 1gth h VAL 778 N 0.39 1.17 -0.66 0.00 2.07 -0.93 -2.12 116.25 116.16 1gth h VAL 778 Ca 0.13 -0.52 -0.08 0.00 0.82 0.00 0.00 66.70 67.05 1gth h VAL 778 Cb -0.00 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1gth h VAL 778 CO -0.06 0.18 0.10 0.71 0.02 0.00 0.00 177.57 178.52 1gth h THR 779 N 0.34 1.26 -0.19 2.57 1.35 -1.08 -0.29 112.91 116.88 1gth h THR 779 Ca 0.10 -1.05 -0.14 0.00 -0.55 0.00 0.00 66.41 64.77 1gth h THR 779 Cb 0.16 0.65 -0.01 0.00 -1.73 0.00 0.00 68.15 67.22 1gth h THR 779 CO -0.01 0.39 -0.46 0.71 -0.25 0.00 0.00 175.52 175.91 1gth h THR 780 N 1.03 1.31 -0.28 6.82 1.35 -1.05 -1.32 112.91 120.77 1gth h THR 780 Ca 0.20 -1.66 -0.09 0.00 -0.55 0.00 0.00 66.41 64.31 1gth h THR 780 Cb 0.45 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 68.53 1gth h THR 780 CO 0.01 0.51 -0.18 0.40 -0.25 0.00 0.00 175.52 176.02 1gth h ILE 781 N 0.39 1.30 -0.60 6.82 2.04 -1.25 -1.62 117.51 124.59 1gth h ILE 781 Ca 0.03 -1.30 -0.00 0.00 1.00 0.00 0.00 64.86 64.59 1gth h ILE 781 Cb 0.95 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 38.54 1gth h ILE 781 CO 0.08 0.41 0.37 0.00 0.00 0.00 0.00 178.15 179.01 1gth h ALA 782 N 0.73 1.52 0.08 1.87 0.00 -0.89 0.14 119.26 122.71 1gth h ALA 782 Ca 0.06 -0.06 -0.26 0.00 0.00 0.00 0.00 54.91 54.64 1gth h ALA 782 Cb 0.71 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.27 1gth h ALA 782 CO 0.05 0.42 -1.13 0.00 0.00 0.00 0.00 179.25 178.59 1gth h ARG 783 N 0.82 0.42 -0.02 0.00 3.08 -1.16 -3.07 114.38 114.44 1gth h ARG 783 Ca 0.22 -0.56 -0.23 0.00 0.07 0.00 0.00 59.98 59.48 1gth h ARG 783 Cb -0.04 0.18 0.01 0.00 0.08 0.00 0.00 29.97 30.19 1gth h ARG 783 CO -0.04 1.22 -0.91 0.00 -1.07 0.00 0.00 179.97 179.16 1gth h ALA 784 N 0.56 0.35 -2.15 0.04 0.00 -0.99 -3.37 119.26 113.70 1gth h ALA 784 Ca -0.13 -0.68 -0.58 0.00 0.00 0.00 0.00 54.91 53.51 1gth h ALA 784 Cb 1.81 -0.01 -0.41 0.00 0.00 0.00 0.00 17.79 19.17 1gth h ALA 784 CO 0.20 0.77 -0.74 1.28 0.00 0.00 0.00 179.25 180.76 1gth n LEU 785 N -3.79 2.95 -4.66 0.00 4.77 0.47 -5.09 117.00 111.65 1gth n LEU 785 Ca -0.07 -5.29 -0.46 0.00 -0.03 0.00 0.00 56.01 50.16 1gth n LEU 785 Cb 0.82 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 1gth n LEU 785 CO 0.52 2.11 1.01 -0.81 -1.33 0.00 0.00 177.39 178.89 1gth n PRO 786 N 0.80 1.92 0.00 3.23 -0.04 -1.16 -1.87 135.00 137.88 1gth n PRO 786 Ca 0.28 0.69 0.00 0.00 -0.04 0.00 0.00 63.50 64.43 1gth n PRO 786 Cb 0.44 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 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 2.38 2.54 3.65 0.55 0.00 -1.26 -5.01 105.19 108.03 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 -2.18 2.75 0.12 1.61 5.36 -0.78 -4.95 117.98 119.91 1gth s PHE 788 Ca 0.00 0.93 -0.35 0.00 -0.96 0.00 0.00 56.93 56.55 1gth s PHE 788 Cb 0.00 -3.71 -0.16 0.00 -0.34 0.00 0.00 43.02 38.81 1gth s PHE 788 CO 0.00 -1.75 1.33 -2.30 -1.46 0.00 0.00 175.22 171.04 1gth n PRO 789 N 6.97 1.30 -4.41 10.12 -0.02 -1.26 -4.89 135.00 142.81 1gth n PRO 789 Ca 0.14 0.47 -0.26 0.00 -2.02 0.00 0.00 63.50 61.83 1gth n PRO 789 Cb 0.46 -2.09 -0.17 0.00 -0.02 0.00 0.00 33.50 31.68 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 0.36 1.24 -0.33 4.25 1.01 -1.26 -1.67 121.20 124.80 1gth s ILE 790 Ca 0.81 -0.50 -0.12 0.00 0.00 0.00 0.00 60.65 60.84 1gth s ILE 790 Cb -0.89 -1.16 -0.01 0.00 0.01 0.00 0.00 42.46 40.42 1gth s ILE 790 CO 0.47 0.39 0.21 -0.76 0.00 0.00 0.00 174.94 175.25 1gth s LEU 791 N 0.98 4.40 0.23 2.97 1.02 -0.06 -1.30 118.68 126.92 1gth s LEU 791 Ca -0.08 -0.51 -0.18 0.00 0.02 0.00 0.00 54.13 53.37 1gth s LEU 791 Cb -0.15 -2.08 -0.08 0.00 0.02 0.00 0.00 46.19 43.90 1gth s LEU 791 CO -0.00 -0.24 0.71 0.00 0.02 0.00 0.00 176.35 176.83 1gth s ALA 792 N 1.67 3.42 -0.23 4.21 0.00 -0.63 -0.74 121.76 129.46 1gth s ALA 792 Ca 0.05 0.12 -0.13 0.00 0.00 0.00 0.00 51.96 52.00 1gth s ALA 792 Cb -0.17 -2.78 0.07 0.00 0.00 0.00 0.00 23.12 20.24 1gth s ALA 792 CO 0.09 0.34 0.57 -0.08 0.00 0.00 0.00 175.76 176.68 1gth s THR 793 N -1.57 -0.01 0.00 0.00 -1.32 0.01 0.31 115.64 113.07 1gth s THR 793 Ca 0.44 0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.96 1gth s THR 793 Cb -0.16 -0.83 0.00 0.00 -1.51 0.00 0.00 72.50 70.00 1gth s THR 793 CO 0.20 0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.24 1gth n GLY 794 N 4.28 0.70 1.69 6.08 0.00 -1.26 -1.08 105.19 115.60 1gth n GLY 794 Ca -0.21 -0.01 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 0.48 3.60 -0.02 0.00 -1.21 -3.94 105.19 104.10 1gth n GLY 795 Ca 0.00 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 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 4.63 -0.02 -0.61 1.01 -1.26 -4.58 121.20 118.36 1gth s ILE 796 Ca 0.00 1.11 0.10 0.00 0.00 0.00 0.00 60.65 61.86 1gth s ILE 796 Cb 0.00 -4.30 0.18 0.00 0.01 0.00 0.00 42.46 38.35 1gth s ILE 796 CO 0.00 -0.51 1.08 -0.90 0.00 0.00 0.00 174.94 174.61 1gth n ASP 797 N 6.67 0.62 -3.61 3.58 5.75 -1.26 -4.50 116.55 123.79 1gth n ASP 797 Ca 0.06 -2.20 0.01 0.00 -0.01 0.00 0.00 54.79 52.65 1gth n ASP 797 Cb 0.48 -0.27 -0.01 0.00 -1.03 0.00 0.00 41.12 40.29 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 -1.60 -0.06 0.14 -1.12 1.04 -1.26 -4.94 113.70 105.90 1gth s SER 798 Ca 0.15 -0.11 -0.13 0.00 0.48 0.00 0.00 55.95 56.34 1gth s SER 798 Cb 0.16 0.15 0.01 0.00 0.10 0.00 0.00 66.02 66.44 1gth s SER 798 CO -0.05 -0.27 1.61 0.00 0.98 0.00 0.00 173.24 175.52 1gth h ALA 799 N 2.00 0.63 0.08 5.32 0.00 -1.84 -0.22 119.26 125.22 1gth h ALA 799 Ca -0.28 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.41 1gth h ALA 799 Cb 1.20 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1gth h ALA 799 CO 0.28 0.38 -0.25 1.49 0.00 0.00 0.00 179.25 181.14 1gth h GLU 800 N 0.66 -0.42 -0.22 0.00 4.81 -1.90 0.41 114.58 117.92 1gth h GLU 800 Ca 0.14 0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.32 1gth h GLU 800 Cb 0.43 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1gth h GLU 800 CO 0.01 -0.28 -0.21 0.66 -0.73 0.00 0.00 179.01 178.46 1gth h SER 801 N -0.44 0.39 -0.56 1.04 4.64 -1.91 -2.46 113.55 114.26 1gth h SER 801 Ca 0.04 -0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 61.22 1gth h SER 801 Cb 0.48 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 1gth h SER 801 CO -0.17 0.61 0.24 1.23 -0.87 0.00 0.00 176.83 177.87 1gth h GLY 802 N 0.97 0.88 1.71 -0.77 0.00 -0.24 -2.41 103.07 103.22 1gth h GLY 802 Ca 0.06 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1gth h GLY 802 CO 0.04 0.44 0.12 -2.00 0.00 0.00 0.00 176.54 175.14 1gth h LEU 803 N 0.76 0.34 -0.97 3.11 5.85 0.23 -1.52 115.31 123.10 1gth h LEU 803 Ca 0.19 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1gth h LEU 803 Cb 0.17 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 1gth h LEU 803 CO -0.02 0.30 0.54 1.56 -0.34 0.00 0.00 178.44 180.49 1gth h GLN 804 N 0.38 1.26 -0.09 1.25 4.20 -0.99 0.71 115.11 121.83 1gth h GLN 804 Ca 0.10 -0.12 -0.17 0.00 0.06 0.00 0.00 58.65 58.52 1gth h GLN 804 Cb 0.06 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 1gth h GLN 804 CO -0.01 0.89 -0.65 0.74 -0.67 0.00 0.00 178.83 179.13 1gth h PHE 805 N 1.28 0.48 -0.15 2.96 -1.00 -1.13 -1.56 116.94 117.81 1gth h PHE 805 Ca 0.33 -0.20 -0.02 0.00 2.81 0.00 0.00 57.97 60.89 1gth h PHE 805 Cb -0.03 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 39.44 1gth h PHE 805 CO 0.01 0.91 0.00 -0.07 -1.61 0.00 0.00 178.31 177.55 1gth h LEU 806 N 0.27 0.26 -2.14 1.54 3.38 -0.89 -1.04 115.31 116.68 1gth h LEU 806 Ca -0.01 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.68 1gth h LEU 806 Cb 1.19 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1gth h LEU 806 CO 0.11 0.50 0.07 0.45 0.09 0.00 0.00 178.44 179.66 1gth h HIS 807 N 0.02 0.00 -0.00 1.13 3.86 -0.81 -0.02 115.15 119.33 1gth h HIS 807 Ca 0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1gth h HIS 807 Cb 0.36 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.83 1gth h HIS 807 CO 0.03 0.00 -0.07 0.43 0.86 0.00 0.00 177.93 179.19 1gth n SER 808 N -4.27 0.15 0.00 2.45 7.64 -0.59 -1.36 113.62 117.64 1gth n SER 808 Ca -0.01 -0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.78 1gth n SER 808 Cb 0.17 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 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 1.36 1.29 3.83 0.23 0.00 -0.30 -3.98 105.19 107.61 1gth n GLY 809 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.69 3.07 -0.22 4.61 0.00 -0.45 -4.49 121.76 122.58 1gth s ALA 810 Ca 0.00 0.31 0.09 0.00 0.00 0.00 0.00 51.96 52.35 1gth s ALA 810 Cb 0.00 -3.12 -0.19 0.00 0.00 0.00 0.00 23.12 19.81 1gth s ALA 810 CO 0.00 0.02 -0.09 0.43 0.00 0.00 0.00 175.76 176.12 1gth n SER 811 N -0.93 1.33 -4.27 0.00 7.64 -0.42 -4.27 113.62 112.70 1gth n SER 811 Ca 0.07 -0.07 -0.15 0.00 1.01 0.00 0.00 58.87 59.72 1gth n SER 811 Cb 0.54 0.22 -0.10 0.00 -1.01 0.00 0.00 64.21 63.86 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 -2.47 1.10 -0.15 0.44 -7.23 -1.24 -4.85 120.40 106.00 1gth s VAL 812 Ca -0.22 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 57.90 1gth s VAL 812 Cb 0.07 -2.01 0.02 0.00 0.56 0.00 0.00 36.38 35.02 1gth s VAL 812 CO 0.65 -0.61 -0.14 -0.76 -0.31 0.00 0.00 175.10 173.94 1gth s LEU 813 N -3.21 1.67 0.05 1.32 1.43 0.26 -1.60 118.68 118.59 1gth s LEU 813 Ca 0.21 -0.48 -0.13 0.00 -1.03 0.00 0.00 54.13 52.70 1gth s LEU 813 Cb 0.04 -1.17 -0.06 0.00 0.03 0.00 0.00 46.19 45.03 1gth s LEU 813 CO 0.03 -0.06 0.42 -1.10 0.23 0.00 0.00 176.35 175.87 1gth s GLN 814 N 1.50 3.86 -0.01 1.70 -0.21 0.15 -0.69 119.66 125.96 1gth s GLN 814 Ca 0.05 0.33 0.03 0.00 0.02 0.00 0.00 55.36 55.79 1gth s GLN 814 Cb -0.13 -3.10 -0.01 0.00 1.00 0.00 0.00 33.01 30.77 1gth s GLN 814 CO -0.11 0.62 -0.10 0.08 -2.12 0.00 0.00 175.29 173.67 1gth s VAL 815 N -1.24 0.76 0.00 1.09 1.01 0.58 -4.43 120.40 118.16 1gth s VAL 815 Ca 0.29 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1gth s VAL 815 Cb -0.15 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.59 1gth s VAL 815 CO 0.16 0.22 0.00 0.00 0.00 0.00 0.00 175.10 175.47 1gth h SER 817 N 0.00 0.70 -0.42 0.00 0.02 -1.96 -0.38 113.55 111.51 1gth h SER 817 Ca 0.00 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1gth h SER 817 Cb 0.00 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 1gth h SER 817 CO 0.00 0.29 0.25 0.00 -1.14 0.00 0.00 176.83 176.23 1gth h ALA 818 N 1.62 1.63 0.11 3.77 0.00 -1.92 0.05 119.26 124.52 1gth h ALA 818 Ca 0.53 -0.06 -0.29 0.00 0.00 0.00 0.00 54.91 55.10 1gth h ALA 818 Cb 0.89 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.53 1gth h ALA 818 CO -0.30 0.32 -1.21 0.28 0.00 0.00 0.00 179.25 178.34 1gth h VAL 819 N 0.59 1.34 -0.14 0.00 2.07 -1.39 -2.70 116.25 116.02 1gth h VAL 819 Ca 0.16 -2.57 -0.01 0.00 0.82 0.00 0.00 66.70 65.09 1gth h VAL 819 Cb -0.01 2.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 1gth h VAL 819 CO -0.03 0.77 0.02 1.56 0.02 0.00 0.00 177.57 179.92 1gth h GLN 820 N 0.23 0.19 0.00 1.57 4.20 -0.72 0.09 115.11 120.67 1gth h GLN 820 Ca -0.17 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.52 1gth h GLN 820 Cb 1.88 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.63 1gth h GLN 820 CO 0.22 0.19 0.00 0.09 -0.67 0.00 0.00 178.83 178.67 1gth n ASN 821 N -4.44 0.84 0.00 1.46 3.02 -0.05 -4.88 115.26 111.20 1gth n ASN 821 Ca -0.01 0.59 0.00 0.00 -0.03 0.00 0.00 54.58 55.13 1gth n ASN 821 Cb 0.14 -0.81 0.00 0.00 -0.61 0.00 0.00 39.78 38.50 1gth n ASN 821 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1gth n GLN 822 N -2.29 0.00 -3.43 3.52 -0.06 0.00 -4.64 117.38 110.48 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 0.42 0.00 0.02 0.00 -4.06 0.00 0.00 30.24 26.61 1gth n GLN 822 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 1gth n ASP 823 N 0.00 -1.48 0.29 1.69 5.68 -1.11 -4.95 116.55 116.67 1gth n ASP 823 Ca 0.00 -1.80 0.17 0.00 -0.50 0.00 0.00 54.79 52.65 1gth n ASP 823 Cb 0.00 2.41 0.85 0.00 -1.14 0.00 0.00 41.12 43.24 1gth n ASP 823 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 1gth h PHE 824 N 1.81 0.00 0.00 2.11 0.05 -1.97 -3.08 116.94 115.87 1gth h PHE 824 Ca -0.23 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.56 1gth h PHE 824 Cb 0.99 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.94 1gth h PHE 824 CO 0.00 0.05 0.00 0.25 -0.18 0.00 0.00 178.31 178.43 1gth n THR 825 N -3.35 1.19 0.26 -1.55 -2.24 -1.26 -2.58 114.28 104.75 1gth n THR 825 Ca -0.02 0.41 0.18 0.00 -2.27 0.00 0.00 64.05 62.35 1gth n THR 825 Cb 0.21 -1.32 0.95 0.00 -2.10 0.00 0.00 70.33 68.07 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 0.00 -0.28 2.28 -1.51 -1.96 -0.83 116.25 113.95 1gth h VAL 826 Ca 0.00 -0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.46 1gth h VAL 826 Cb 0.17 0.78 -0.01 0.00 -2.13 0.00 0.00 31.29 30.09 1gth h VAL 826 CO 0.00 0.00 0.12 -0.29 -1.23 0.00 0.00 177.57 176.17 1gth h ILE 827 N 0.00 1.11 -0.66 7.19 6.09 -1.79 0.09 117.51 129.54 1gth h ILE 827 Ca 0.00 -0.31 -0.05 0.00 -1.37 0.00 0.00 64.86 63.12 1gth h ILE 827 Cb 0.00 0.76 -0.03 0.00 0.47 0.00 0.00 36.82 38.02 1gth h ILE 827 CO 0.00 0.12 0.19 -0.61 -3.07 0.00 0.00 178.15 174.79 1gth h GLN 828 N 0.39 1.01 -0.21 2.19 -0.00 -1.41 -0.89 115.11 116.18 1gth h GLN 828 Ca 0.10 -0.21 -0.08 0.00 -0.00 0.00 0.00 58.65 58.46 1gth h GLN 828 Cb 0.06 -0.15 -0.00 0.00 0.00 0.00 0.00 27.48 27.39 1gth h GLN 828 CO -0.01 0.87 -0.18 0.22 0.00 0.00 0.00 178.83 179.73 1gth h ASP 829 N 0.97 0.53 -0.51 -0.69 3.58 -1.32 -2.57 116.42 116.42 1gth h ASP 829 Ca 0.21 -0.46 -0.01 0.00 0.42 0.00 0.00 57.03 57.19 1gth h ASP 829 Cb 0.29 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 1gth h ASP 829 CO -0.01 0.88 0.27 1.88 -2.88 0.00 0.00 179.24 179.38 1gth h TYR 830 N 0.19 0.70 -0.01 0.28 0.99 -0.79 -0.31 116.97 118.01 1gth h TYR 830 Ca 0.04 -0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.75 1gth h TYR 830 Cb 0.71 -0.22 -0.00 0.00 1.00 0.00 0.00 36.73 38.22 1gth h TYR 830 CO 0.07 0.52 -0.00 0.00 -0.00 0.00 0.00 178.16 178.75 1gth h THR 832 N -0.33 1.22 -0.26 0.00 1.35 -1.47 -1.60 112.91 111.83 1gth h THR 832 Ca 0.00 -1.02 -0.05 0.00 -0.55 0.00 0.00 66.41 64.79 1gth h THR 832 Cb 0.35 1.36 -0.01 0.00 -1.73 0.00 0.00 68.15 68.12 1gth h THR 832 CO 0.00 0.31 -0.05 1.23 -0.25 0.00 0.00 175.52 176.76 1gth h GLY 833 N 0.90 0.53 1.12 5.82 0.00 -0.92 -1.86 103.07 108.66 1gth h GLY 833 Ca 0.04 -0.42 -0.11 0.00 0.00 0.00 0.00 47.33 46.84 1gth h GLY 833 CO 0.03 0.39 -0.06 -2.00 0.00 0.00 0.00 176.54 174.90 1gth h LEU 834 N 0.24 1.03 -0.60 3.11 5.85 -0.90 -1.78 115.31 122.27 1gth h LEU 834 Ca 0.07 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 1gth h LEU 834 Cb 0.51 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1gth h LEU 834 CO 0.02 1.12 0.33 0.11 -0.34 0.00 0.00 178.44 179.68 1gth h LYS 835 N 0.94 0.84 -0.43 1.25 1.57 -1.26 -1.95 116.57 117.52 1gth h LYS 835 Ca 0.15 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1gth h LYS 835 Cb 0.63 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 1gth h LYS 835 CO 0.04 0.64 0.21 0.00 -0.57 0.00 0.00 179.45 179.78 1gth h ALA 836 N 1.15 0.55 -0.91 3.86 0.00 -1.10 0.00 119.26 122.82 1gth h ALA 836 Ca 0.21 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1gth h ALA 836 Cb 0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1gth h ALA 836 CO -0.03 0.11 0.55 -0.07 0.00 0.00 0.00 179.25 179.80 1gth h LEU 837 N 0.55 1.10 -0.19 0.00 3.38 -1.10 -0.05 115.31 119.00 1gth h LEU 837 Ca 0.15 -0.07 -0.20 0.00 0.09 0.00 0.00 57.88 57.85 1gth h LEU 837 Cb 0.10 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.58 1gth h LEU 837 CO -0.02 0.85 -0.66 -0.07 0.09 0.00 0.00 178.44 178.63 1gth h LEU 838 N 1.26 0.91 -0.04 1.67 3.38 -1.14 -3.19 115.31 118.16 1gth h LEU 838 Ca 0.33 -0.60 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1gth h LEU 838 Cb -0.05 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.43 1gth h LEU 838 CO -0.06 1.35 0.03 0.22 0.09 0.00 0.00 178.44 180.07 1gth h TYR 839 N 0.52 0.06 -0.02 1.13 3.20 -0.59 -2.74 116.97 118.53 1gth h TYR 839 Ca -0.03 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1gth h TYR 839 Cb 1.28 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 39.54 1gth h TYR 839 CO 0.09 0.09 0.06 -0.07 -1.64 0.00 0.00 178.16 176.68 1gth h LEU 840 N 0.01 0.00 -0.27 2.82 3.38 -1.07 -1.40 115.31 118.79 1gth h LEU 840 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1gth h LEU 840 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 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 -3.25 0.08 0.00 1.13 5.02 -1.03 -2.19 118.16 117.92 1gth n LYS 841 Ca -0.02 0.31 0.10 0.00 -2.02 0.00 0.00 58.31 56.67 1gth n LYS 841 Cb 0.13 -1.65 0.01 0.00 -0.02 0.00 0.00 35.03 33.51 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 -1.80 2.02 -4.41 4.39 3.41 -0.53 -4.85 113.62 111.86 1gth n SER 842 Ca 0.03 -1.51 -0.44 0.00 -0.26 0.00 0.00 58.87 56.69 1gth n SER 842 Cb 0.20 0.39 -0.05 0.00 -0.26 0.00 0.00 64.21 64.49 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 -2.14 4.85 0.38 -1.33 -1.09 -0.93 -1.63 121.20 119.31 1gth s ILE 843 Ca 0.18 -0.74 0.07 0.00 -2.23 0.00 0.00 60.65 57.93 1gth s ILE 843 Cb 0.16 -4.39 0.30 0.00 -1.58 0.00 0.00 42.46 36.95 1gth s ILE 843 CO 0.46 -0.96 1.97 -0.08 -1.23 0.00 0.00 174.94 175.09 1gth h GLU 844 N 9.09 0.66 0.00 2.79 4.81 -1.86 -2.45 114.58 127.63 1gth h GLU 844 Ca -0.28 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 1gth h GLU 844 Cb 1.09 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.32 1gth h GLU 844 CO 1.03 0.44 0.00 -0.85 -0.73 0.00 0.00 179.01 178.90 1gth n GLU 845 N -4.48 0.76 -0.47 1.92 0.00 -1.26 -3.29 120.64 113.82 1gth n GLU 845 Ca 0.10 0.01 0.07 0.00 0.00 0.00 0.00 57.16 57.34 1gth n GLU 845 Cb 0.25 -1.50 0.19 0.00 0.00 0.00 0.00 31.44 30.38 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 -1.07 2.69 0.28 -1.84 4.77 -0.92 -4.72 117.00 116.19 1gth n LEU 846 Ca 0.19 -3.68 0.17 0.00 -0.03 0.00 0.00 56.01 52.67 1gth n LEU 846 Cb 0.12 -0.51 0.74 0.00 -2.33 0.00 0.00 43.42 41.45 1gth n LEU 846 CO 0.17 1.21 1.01 1.56 -1.33 0.00 0.00 177.39 180.00 1gth h GLN 847 N 0.74 0.00 0.00 3.23 1.08 -1.66 -2.47 115.11 116.03 1gth h GLN 847 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1gth h GLN 847 Cb 1.03 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.46 1gth h GLN 847 CO 0.02 0.02 0.00 0.41 -0.95 0.00 0.00 178.83 178.33 1gth n GLY 848 N -0.12 -1.33 3.85 3.46 0.00 -1.26 -4.83 105.19 104.96 1gth n GLY 848 Ca 0.00 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.75 3.43 -0.59 1.61 0.52 -0.93 -4.15 118.94 116.09 1gth s TRP 849 Ca 0.21 1.29 -0.08 0.00 0.02 0.00 0.00 56.10 57.55 1gth s TRP 849 Cb 0.19 -2.63 0.15 0.00 -1.15 0.00 0.00 33.47 30.03 1gth s TRP 849 CO 0.47 -0.17 0.45 0.34 0.02 0.00 0.00 176.95 178.05 1gth s ASP 850 N -2.88 5.73 1.62 2.95 2.15 -0.14 -4.95 116.67 121.15 1gth s ASP 850 Ca 0.56 -2.38 0.00 0.00 0.43 0.00 0.00 52.55 51.16 1gth s ASP 850 Cb -0.10 -1.99 0.00 0.00 -0.30 0.00 0.00 42.92 40.53 1gth s ASP 850 CO 0.27 -0.56 0.00 0.61 -0.17 0.00 0.00 175.17 175.32 1gth n GLY 851 N 4.25 2.77 0.48 2.66 0.00 -1.26 -1.68 105.19 112.42 1gth n GLY 851 Ca 0.02 -0.24 0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 13.25 1.65 -3.39 1.61 6.02 -1.26 -4.84 117.38 130.41 1gth n GLN 852 Ca 0.00 -0.96 -0.39 0.00 -0.01 0.00 0.00 57.00 55.64 1gth n GLN 852 Cb 0.00 -1.42 -0.08 0.00 1.02 0.00 0.00 30.24 29.76 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 -1.72 6.34 0.75 1.08 0.01 -0.68 -4.88 113.70 114.60 1gth s SER 853 Ca 0.34 0.39 -0.12 0.00 1.31 0.00 0.00 55.95 57.88 1gth s SER 853 Cb 0.18 -2.22 0.05 0.00 0.21 0.00 0.00 66.02 64.24 1gth s SER 853 CO 0.29 -0.13 1.11 -2.84 0.41 0.00 0.00 173.24 172.07 1gth s PRO 854 N 1.71 2.29 0.31 12.44 0.02 -1.26 -0.97 135.00 149.53 1gth s PRO 854 Ca 0.17 1.30 -0.29 0.00 0.02 0.00 0.00 61.00 62.20 1gth s PRO 854 Cb -0.15 -1.89 -0.11 0.00 0.02 0.00 0.00 34.50 32.37 1gth s PRO 854 CO 0.09 -1.64 1.53 0.20 -0.33 0.00 0.00 177.00 176.85 1gth s GLY 855 N -3.01 2.38 0.06 0.52 0.00 -1.26 -4.76 107.32 101.24 1gth s GLY 855 Ca 0.64 1.52 -0.31 0.00 0.00 0.00 0.00 44.72 46.58 1gth s GLY 855 CO 0.51 2.42 1.47 -1.59 0.00 0.00 0.00 173.10 175.91 1gth s THR 856 N -0.32 3.37 0.07 0.90 2.01 -1.26 -5.02 115.64 115.39 1gth s THR 856 Ca 0.60 0.86 -0.01 0.00 0.31 0.00 0.00 61.69 63.44 1gth s THR 856 Cb -0.46 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 1gth s THR 856 CO 0.51 0.02 0.24 -1.61 -0.69 0.00 0.00 174.62 173.09 1gth s GLU 857 N 2.08 3.48 0.12 4.92 0.41 -1.26 -5.04 118.70 123.41 1gth s GLU 857 Ca 0.67 -0.34 -0.34 0.00 -0.41 0.00 0.00 54.97 54.55 1gth s GLU 857 Cb -0.36 -3.01 -0.14 0.00 -1.78 0.00 0.00 34.13 28.85 1gth s GLU 857 CO 0.29 0.59 1.62 0.43 -0.49 0.00 0.00 175.26 177.70 1gth n SER 858 N 0.33 3.09 -3.65 -0.19 7.64 -1.26 -4.93 113.62 114.66 1gth n SER 858 Ca -0.05 1.07 -0.10 0.00 1.01 0.00 0.00 58.87 60.80 1gth n SER 858 Cb 0.51 -1.41 -0.03 0.00 -1.01 0.00 0.00 64.21 62.28 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 1.42 0.32 -0.10 1.43 -3.43 -1.26 -1.37 115.29 112.31 1gth s HIS 859 Ca 0.81 -0.74 -0.04 0.00 -0.80 0.00 0.00 55.06 54.30 1gth s HIS 859 Cb -0.69 0.37 0.05 0.00 -1.43 0.00 0.00 32.58 30.88 1gth s HIS 859 CO 0.41 -1.18 0.19 -0.65 -2.00 0.00 0.00 174.74 171.51 1gth s GLN 860 N -3.52 0.07 -1.70 -0.38 -1.52 -0.90 -4.32 119.66 107.39 1gth s GLN 860 Ca 0.20 0.61 -0.01 0.00 -1.95 0.00 0.00 55.36 54.20 1gth s GLN 860 Cb -0.03 -0.20 0.00 0.00 -0.22 0.00 0.00 33.01 32.57 1gth s GLN 860 CO 0.11 -0.29 0.17 1.63 -0.25 0.00 0.00 175.29 176.66 1gth n LYS 861 N 5.25 -2.57 -0.03 2.91 5.02 -1.26 -1.64 118.16 125.84 1gth n LYS 861 Ca -0.07 0.97 0.00 0.00 -2.02 0.00 0.00 58.31 57.20 1gth n LYS 861 Cb 0.50 -5.67 0.00 0.00 -0.02 0.00 0.00 35.03 29.84 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 -1.16 2.88 3.62 0.72 0.00 -1.26 -4.53 105.19 105.46 1gth n GLY 862 Ca -0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.00 4.07 0.21 1.61 1.02 -0.65 -4.47 119.74 121.52 1gth s LYS 863 Ca 0.00 0.24 -0.31 0.00 0.02 0.00 0.00 55.97 55.92 1gth s LYS 863 Cb 0.00 -3.64 -0.15 0.00 -0.52 0.00 0.00 37.83 33.52 1gth s LYS 863 CO 0.00 -0.29 1.09 -0.35 -0.92 0.00 0.00 175.35 174.87 1gth n PRO 864 N 5.35 1.15 -2.43 -1.68 -0.04 -1.26 -2.12 135.00 133.98 1gth n PRO 864 Ca -0.06 0.41 -0.41 0.00 -0.04 0.00 0.00 63.50 63.40 1gth n PRO 864 Cb 0.50 -1.85 -0.04 0.00 -0.04 0.00 0.00 33.50 32.08 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 -0.47 3.61 0.27 0.52 1.01 -0.47 -4.86 120.40 120.02 1gth s VAL 865 Ca 0.69 1.42 -0.30 0.00 0.00 0.00 0.00 61.98 63.78 1gth s VAL 865 Cb -0.82 -3.91 -0.11 0.00 0.00 0.00 0.00 36.38 31.55 1gth s VAL 865 CO 0.55 0.26 1.60 -2.84 0.00 0.00 0.00 175.10 174.66 1gth s PRO 866 N -0.55 4.14 -0.97 2.72 0.02 -1.26 -4.91 135.00 134.19 1gth s PRO 866 Ca 0.50 2.55 -0.03 0.00 0.02 0.00 0.00 61.00 64.04 1gth s PRO 866 Cb -0.32 -3.04 0.20 0.00 0.02 0.00 0.00 34.50 31.36 1gth s PRO 866 CO 0.37 -0.63 2.26 0.54 -0.33 0.00 0.00 177.00 179.22 1gth n ARG 867 N 2.51 4.04 -3.15 5.54 1.74 -1.26 -4.92 116.66 121.16 1gth n ARG 867 Ca 0.09 -3.55 -0.39 0.00 -0.77 0.00 0.00 57.85 53.23 1gth n ARG 867 Cb 0.37 -2.42 -0.05 0.00 -1.02 0.00 0.00 32.46 29.34 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 -2.91 5.01 0.24 0.55 1.01 -1.26 -4.97 121.20 118.87 1gth s ILE 868 Ca 0.51 1.28 -0.05 0.00 0.00 0.00 0.00 60.65 62.39 1gth s ILE 868 Cb 0.27 -3.96 0.21 0.00 0.01 0.00 0.00 42.46 38.99 1gth s ILE 868 CO -0.19 0.33 1.84 0.00 0.00 0.00 0.00 174.94 176.92 1gth h ALA 869 N 6.28 1.17 0.00 9.38 0.00 -1.95 -1.33 119.26 132.80 1gth h ALA 869 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1gth h ALA 869 Cb 1.20 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1gth h ALA 869 CO 0.73 0.21 0.00 0.39 0.00 0.00 0.00 179.25 180.58 1gth n GLU 870 N -4.66 0.49 -0.01 0.00 1.02 -1.26 -2.84 120.64 113.38 1gth n GLU 870 Ca 0.13 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.26 1gth n GLU 870 Cb 0.21 -1.15 -0.01 0.00 -0.02 0.00 0.00 31.44 30.47 1gth n GLU 870 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1gth n LEU 871 N -0.65 1.61 -4.72 -4.62 4.77 -0.53 -4.94 117.00 107.93 1gth n LEU 871 Ca 0.03 -0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.59 1gth n LEU 871 Cb 0.02 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1gth n LEU 871 CO 0.03 0.29 1.32 -0.04 -1.33 0.00 0.00 177.39 177.66 1gth s MET 872 N -2.03 4.17 -1.25 3.23 -1.94 -1.05 -2.81 119.30 117.62 1gth s MET 872 Ca -0.01 2.49 -0.07 0.00 -1.71 0.00 0.00 55.69 56.39 1gth s MET 872 Cb 0.00 -3.17 0.01 0.00 2.01 0.00 0.00 34.83 33.69 1gth s MET 872 CO 0.04 -0.70 0.92 0.41 -0.01 0.00 0.00 175.02 175.68 1gth n GLY 873 N 3.90 -0.38 0.35 -0.03 0.00 -1.26 -4.91 105.19 102.87 1gth n GLY 873 Ca 0.15 0.12 0.05 0.00 0.00 0.00 0.00 46.02 46.34 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 -4.28 1.25 -3.65 1.61 4.76 -1.12 -5.01 118.16 111.71 1gth n LYS 874 Ca -0.02 -0.91 -0.24 0.00 -2.87 0.00 0.00 58.31 54.28 1gth n LYS 874 Cb 0.57 -1.16 0.04 0.00 -1.84 0.00 0.00 35.03 32.64 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 0.22 -3.27 -3.72 1.97 5.02 -1.26 -4.95 118.16 112.16 1gth n LYS 875 Ca 0.05 0.59 -0.36 0.00 -2.02 0.00 0.00 58.31 56.57 1gth n LYS 875 Cb 0.25 -4.90 -0.09 0.00 -0.02 0.00 0.00 35.03 30.27 1gth n LYS 875 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1gth s LEU 876 N -6.45 5.22 1.05 -0.35 1.43 -1.26 -5.02 118.68 113.30 1gth s LEU 876 Ca 0.21 -2.96 -0.12 0.00 -1.03 0.00 0.00 54.13 50.23 1gth s LEU 876 Cb -0.06 -1.85 0.22 0.00 0.03 0.00 0.00 46.19 44.53 1gth s LEU 876 CO 0.82 -0.34 1.07 -2.16 0.23 0.00 0.00 176.35 175.97 1gth s PRO 877 N -0.22 0.01 -0.70 1.29 0.04 -1.26 -4.90 135.00 129.27 1gth s PRO 877 Ca 0.18 0.84 -0.05 0.00 0.04 0.00 0.00 61.00 62.01 1gth s PRO 877 Cb -0.19 -1.66 0.03 0.00 0.04 0.00 0.00 34.50 32.71 1gth s PRO 877 CO -0.04 -3.10 2.79 0.09 0.04 0.00 0.00 177.00 176.78 1gth n ASN 878 N -4.48 6.88 -3.68 6.66 3.02 -1.26 -3.62 115.26 118.78 1gth n ASN 878 Ca 0.05 -3.06 -0.08 0.00 -0.03 0.00 0.00 54.58 51.46 1gth n ASN 878 Cb 0.55 -1.31 -0.02 0.00 -0.61 0.00 0.00 39.78 38.39 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 -1.01 -0.31 0.00 3.10 -0.12 -1.26 -4.85 117.98 113.53 1gth s PHE 879 Ca 0.59 -0.03 0.00 0.00 -0.05 0.00 0.00 56.93 57.44 1gth s PHE 879 Cb 0.31 0.64 0.00 0.00 -0.63 0.00 0.00 43.02 43.34 1gth s PHE 879 CO -0.15 -1.03 0.00 0.41 -0.05 0.00 0.00 175.22 174.40 1gth n GLY 880 N -0.42 1.14 0.30 1.99 0.00 0.14 -1.76 105.19 106.57 1gth n GLY 880 Ca -0.09 -0.55 0.14 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.47 1.61 0.13 -1.76 -1.37 132.00 130.14 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 -0.10 1.88 -0.23 0.00 0.00 178.00 179.55 1gth h TYR 882 N 0.00 0.94 -0.55 1.56 -1.99 -1.75 -1.96 116.97 113.23 1gth h TYR 882 Ca 0.03 -0.18 -0.07 0.00 2.00 0.00 0.00 58.73 60.51 1gth h TYR 882 Cb 0.16 -0.24 -0.02 0.00 2.00 0.00 0.00 36.73 38.63 1gth h TYR 882 CO 0.00 0.91 0.06 1.25 -0.00 0.00 0.00 178.16 180.38 1gth h LEU 883 N 0.78 0.90 -1.00 3.88 5.85 -0.41 -1.37 115.31 123.93 1gth h LEU 883 Ca 0.13 -0.28 0.06 0.00 0.84 0.00 0.00 57.88 58.63 1gth h LEU 883 Cb 0.60 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.33 1gth h LEU 883 CO 0.04 0.95 0.65 -0.33 -0.34 0.00 0.00 178.44 179.40 1gth h GLU 884 N 0.81 1.15 -0.41 1.25 5.08 -1.32 -1.56 114.58 119.60 1gth h GLU 884 Ca 0.16 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 1gth h GLU 884 Cb 0.45 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1gth h GLU 884 CO 0.02 0.76 -0.06 1.96 -1.00 0.00 0.00 179.01 180.69 1gth h GLN 885 N 1.19 0.75 -0.31 2.33 4.20 -0.92 -2.24 115.11 120.12 1gth h GLN 885 Ca 0.43 -0.27 0.02 0.00 0.06 0.00 0.00 58.65 58.88 1gth h GLN 885 Cb 0.14 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 1gth h GLN 885 CO -0.16 0.87 0.17 0.00 -0.67 0.00 0.00 178.83 179.03 1gth h ARG 886 N 0.57 0.33 -0.86 1.46 3.08 -0.64 -1.35 114.38 116.98 1gth h ARG 886 Ca 0.11 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 1gth h ARG 886 Cb 0.56 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.50 1gth h ARG 886 CO 0.03 0.22 0.53 0.87 -1.07 0.00 0.00 179.97 180.55 1gth h LYS 887 N 0.34 1.16 -0.44 0.04 1.57 -1.26 0.48 116.57 118.46 1gth h LYS 887 Ca 0.12 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1gth h LYS 887 Cb 0.02 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.06 1gth h LYS 887 CO -0.07 0.80 0.27 -0.22 -0.57 0.00 0.00 179.45 179.66 1gth h LYS 888 N 1.17 0.59 -0.50 3.15 3.64 -1.01 0.47 116.57 124.08 1gth h LYS 888 Ca 0.31 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.55 1gth h LYS 888 Cb -0.07 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.61 1gth h LYS 888 CO -0.06 0.42 -0.03 0.82 -2.27 0.00 0.00 179.45 178.33 1gth h ILE 889 N 0.58 1.25 -0.33 2.00 2.04 -0.78 -1.89 117.51 120.38 1gth h ILE 889 Ca 0.16 -1.10 -0.09 0.00 1.00 0.00 0.00 64.86 64.83 1gth h ILE 889 Cb -0.02 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1gth h ILE 889 CO -0.03 0.39 -0.12 0.40 0.00 0.00 0.00 178.15 178.78 1gth h ILE 890 N 0.80 1.29 -0.63 -0.67 2.04 -0.48 -1.81 117.51 118.04 1gth h ILE 890 Ca 0.15 -1.21 -0.03 0.00 1.00 0.00 0.00 64.86 64.76 1gth h ILE 890 Cb 0.53 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 1gth h ILE 890 CO 0.03 0.39 0.27 0.00 0.00 0.00 0.00 178.15 178.85 1gth h ALA 891 N 0.79 0.82 -0.69 1.87 0.00 -0.82 -1.80 119.26 119.43 1gth h ALA 891 Ca 0.08 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1gth h ALA 891 Cb 0.64 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1gth h ALA 891 CO 0.04 0.42 0.43 1.49 0.00 0.00 0.00 179.25 181.63 1gth h GLU 892 N 0.88 0.81 -0.50 0.00 4.81 -1.24 -1.63 114.58 117.72 1gth h GLU 892 Ca 0.21 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.34 1gth h GLU 892 Cb 0.17 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1gth h GLU 892 CO -0.02 0.54 0.10 1.49 -0.73 0.00 0.00 179.01 180.39 1gth h GLU 893 N 0.84 0.76 -0.47 1.92 4.57 -0.91 -1.09 114.58 120.20 1gth h GLU 893 Ca 0.28 -0.16 -0.04 0.00 -1.18 0.00 0.00 59.36 58.26 1gth h GLU 893 Cb 0.02 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.48 1gth h GLU 893 CO -0.11 0.70 0.12 0.87 -1.18 0.00 0.00 179.01 179.41 1gth h LYS 894 N 0.73 0.75 -0.50 1.92 1.79 -0.48 -0.43 116.57 120.35 1gth h LYS 894 Ca 0.16 -0.18 -0.07 0.00 -2.18 0.00 0.00 60.65 58.38 1gth h LYS 894 Cb 0.30 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.83 1gth h LYS 894 CO 0.00 0.73 0.03 0.52 -1.08 0.00 0.00 179.45 179.65 1gth h MET 895 N 0.63 0.81 -0.38 3.15 2.86 -0.96 -1.53 114.93 119.52 1gth h MET 895 Ca 0.15 -0.21 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 1gth h MET 895 Cb 0.32 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1gth h MET 895 CO 0.00 0.80 0.06 -0.09 1.06 0.00 0.00 176.91 178.74 1gth h ARG 896 N 0.77 0.63 0.00 1.72 2.43 -0.86 -1.89 114.38 117.19 1gth h ARG 896 Ca 0.15 -0.17 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 1gth h ARG 896 Cb 0.42 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1gth h ARG 896 CO 0.02 0.69 -0.19 -0.07 -1.51 0.00 0.00 179.97 178.91 1gth h LEU 897 N 0.48 0.00 -0.15 3.80 3.38 -0.83 -2.39 115.31 119.59 1gth h LEU 897 Ca 0.12 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 1gth h LEU 897 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1gth h LEU 897 CO 0.01 0.19 -0.32 0.50 0.09 0.00 0.00 178.44 178.90 1gth h LYS 898 N 0.00 0.49 -0.45 1.13 3.64 -0.80 -3.05 116.57 117.53 1gth h LYS 898 Ca -0.00 -0.32 -0.06 0.00 -1.27 0.00 0.00 60.65 58.99 1gth h LYS 898 Cb 0.38 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1gth h LYS 898 CO 0.02 0.93 0.02 0.93 -2.27 0.00 0.00 179.45 179.08 1gth h GLU 899 N 0.11 0.73 0.00 1.90 4.39 -1.07 -1.37 114.58 119.27 1gth h GLU 899 Ca 0.00 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.51 1gth h GLU 899 Cb 0.92 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.48 1gth h GLU 899 CO 0.07 0.73 -0.06 0.37 -1.16 0.00 0.00 179.01 178.96 1gth h GLN 900 N 0.69 0.00 0.00 2.33 4.15 -1.44 -3.45 115.11 117.39 1gth h GLN 900 Ca 0.14 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.56 1gth h GLN 900 Cb 0.40 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.09 1gth h GLN 900 CO 0.01 0.06 0.00 -1.71 -1.93 0.00 0.00 178.83 175.27 1gth n ASN 901 N -4.14 0.00 -4.09 -0.69 5.15 -0.52 -4.90 115.26 106.07 1gth n ASN 901 Ca -0.03 0.00 -0.38 0.00 -0.60 0.00 0.00 54.58 53.57 1gth n ASN 901 Cb 0.15 -2.00 0.01 0.00 -0.53 0.00 0.00 39.78 37.40 1gth n ASN 901 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gth n ALA 902 N 0.97 -2.97 -2.70 5.20 0.00 -1.26 -4.97 120.51 114.78 1gth n ALA 902 Ca 0.00 0.02 -0.25 0.00 0.00 0.00 0.00 53.44 53.20 1gth n ALA 902 Cb 0.00 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.06 1gth n ALA 902 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gth s ALA 903 N -1.80 3.74 -0.27 0.00 0.00 -1.26 -5.09 121.76 117.08 1gth s ALA 903 Ca 0.55 -0.87 -0.11 0.00 0.00 0.00 0.00 51.96 51.54 1gth s ALA 903 Cb -0.53 -2.07 -0.05 0.00 0.00 0.00 0.00 23.12 20.47 1gth s ALA 903 CO 0.62 0.16 0.18 -0.06 0.00 0.00 0.00 175.76 176.66 1gth s PHE 904 N -2.14 3.23 -0.61 0.00 0.40 -1.26 -5.03 117.98 112.57 1gth s PHE 904 Ca 0.39 0.12 -0.26 0.00 -0.60 0.00 0.00 56.93 56.59 1gth s PHE 904 Cb -0.10 -2.35 -0.05 0.00 0.51 0.00 0.00 43.02 41.03 1gth s PHE 904 CO 0.33 -0.12 2.09 -2.14 0.70 0.00 0.00 175.22 176.07 1gth s PRO 905 N 1.62 2.38 -0.54 0.24 0.02 -1.26 -4.57 135.00 132.89 1gth s PRO 905 Ca 0.07 0.78 -0.26 0.00 0.02 0.00 0.00 61.00 61.61 1gth s PRO 905 Cb -0.15 -4.54 -0.07 0.00 0.02 0.00 0.00 34.50 29.75 1gth s PRO 905 CO 0.10 -3.09 2.33 -2.14 -0.33 0.00 0.00 177.00 173.87 1gth s PRO 906 N 7.57 2.12 0.01 5.54 0.02 -1.26 -4.93 135.00 144.07 1gth s PRO 906 Ca 0.79 1.20 -0.30 0.00 0.02 0.00 0.00 61.00 62.71 1gth s PRO 906 Cb -0.13 -4.58 -0.05 0.00 0.02 0.00 0.00 34.50 29.75 1gth s PRO 906 CO 0.20 -3.32 1.26 -0.51 -0.33 0.00 0.00 177.00 174.30 1gth s LEU 907 N 12.03 4.33 0.41 -5.54 1.43 -1.26 -4.96 118.68 125.12 1gth s LEU 907 Ca 0.93 2.00 -0.26 0.00 -1.03 0.00 0.00 54.13 55.77 1gth s LEU 907 Cb -0.16 -3.57 -0.09 0.00 0.03 0.00 0.00 46.19 42.41 1gth s LEU 907 CO 0.23 -0.58 1.32 -1.61 0.23 0.00 0.00 176.35 175.94 1gth s GLU 908 N 1.79 3.92 -0.29 1.70 2.02 -1.26 -4.97 118.70 121.61 1gth s GLU 908 Ca 0.59 2.19 -0.23 0.00 0.02 0.00 0.00 54.97 57.55 1gth s GLU 908 Cb -0.29 -2.74 -0.00 0.00 0.10 0.00 0.00 34.13 31.20 1gth s GLU 908 CO 0.26 -0.54 0.76 0.50 0.02 0.00 0.00 175.26 176.26 1gth s ARG 909 N -2.28 3.99 -0.07 1.61 3.52 -1.26 -5.03 118.95 119.43 1gth s ARG 909 Ca 0.57 0.59 0.05 0.00 -0.13 0.00 0.00 55.73 56.81 1gth s ARG 909 Cb -0.39 -3.71 -0.00 0.00 -1.56 0.00 0.00 34.95 29.29 1gth s ARG 909 CO 0.50 -0.62 -0.23 0.15 -0.81 0.00 0.00 175.30 174.28 1gth s LYS 910 N 2.86 2.62 0.40 5.12 1.02 -1.26 -5.12 119.74 125.38 1gth s LYS 910 Ca 0.31 -0.84 -0.25 0.00 0.02 0.00 0.00 55.97 55.21 1gth s LYS 910 Cb -0.14 -2.11 -0.08 0.00 -0.52 0.00 0.00 37.83 34.97 1gth s LYS 910 CO 0.11 0.27 1.15 -2.14 -0.92 0.00 0.00 175.35 173.83 1gth s PRO 911 N 0.10 4.07 0.19 -1.68 0.02 -1.26 -4.93 135.00 131.51 1gth s PRO 911 Ca -0.10 1.80 -0.27 0.00 0.02 0.00 0.00 61.00 62.45 1gth s PRO 911 Cb -0.15 -2.67 -0.08 0.00 0.02 0.00 0.00 34.50 31.62 1gth s PRO 911 CO 0.06 -0.29 0.83 -0.06 -0.33 0.00 0.00 177.00 177.21 1gth s PHE 912 N -1.44 3.94 -0.09 6.54 2.99 -0.66 -5.05 117.98 124.21 1gth s PHE 912 Ca 0.57 1.73 0.01 0.00 0.00 0.00 0.00 56.93 59.25 1gth s PHE 912 Cb -0.30 -2.84 -0.02 0.00 0.00 0.00 0.00 43.02 39.86 1gth s PHE 912 CO 0.37 0.50 -0.11 0.42 -0.00 0.00 0.00 175.22 176.40 1gth s ILE 913 N -1.16 3.29 -0.04 0.64 1.01 -1.26 -4.89 121.20 118.79 1gth s ILE 913 Ca 0.38 -0.61 -0.32 0.00 0.00 0.00 0.00 60.65 60.09 1gth s ILE 913 Cb -0.24 -2.34 -0.11 0.00 0.01 0.00 0.00 42.46 39.78 1gth s ILE 913 CO 0.28 0.56 1.93 -2.65 0.00 0.00 0.00 174.94 175.06 1gth n PRO 914 N 2.75 2.46 -0.93 2.79 -0.02 -1.26 -4.73 135.00 136.06 1gth n PRO 914 Ca -0.18 0.90 0.05 0.00 -2.02 0.00 0.00 63.50 62.25 1gth n PRO 914 Cb 0.53 -2.80 0.39 0.00 -0.02 0.00 0.00 33.50 31.60 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 7.04 4.77 -3.56 -0.52 5.02 -0.65 -4.92 118.16 125.35 1gth n LYS 915 Ca 0.22 -3.17 -0.07 0.00 -2.02 0.00 0.00 58.31 53.27 1gth n LYS 915 Cb 0.34 -2.27 -0.03 0.00 -0.02 0.00 0.00 35.03 33.05 1gth n LYS 915 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1gth s LYS 916 N -2.81 0.55 0.39 1.97 -2.85 -1.26 -5.04 119.74 110.69 1gth s LYS 916 Ca 0.55 -0.13 -0.27 0.00 -1.00 0.00 0.00 55.97 55.12 1gth s LYS 916 Cb 0.42 0.26 -0.11 0.00 -2.06 0.00 0.00 37.83 36.34 1gth s LYS 916 CO 0.16 -0.23 1.33 -0.35 0.10 0.00 0.00 175.35 176.36 1gth n PRO 917 N 0.04 2.15 -2.41 1.78 -0.04 -1.26 -4.77 135.00 130.50 1gth n PRO 917 Ca -0.05 0.76 -0.42 0.00 -0.04 0.00 0.00 63.50 63.74 1gth n PRO 917 Cb 0.60 -2.43 -0.03 0.00 -0.04 0.00 0.00 33.50 31.60 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 -1.15 4.13 0.53 0.52 -1.09 -1.26 -4.79 121.20 118.10 1gth s ILE 918 Ca 0.58 1.47 -0.21 0.00 -2.23 0.00 0.00 60.65 60.26 1gth s ILE 918 Cb -0.52 -3.94 -0.05 0.00 -1.58 0.00 0.00 42.46 36.36 1gth s ILE 918 CO 0.61 0.00 1.20 -2.16 -1.23 0.00 0.00 174.94 173.36 1gth s PRO 919 N 2.22 3.32 0.33 2.79 0.04 -1.26 -5.03 135.00 137.40 1gth s PRO 919 Ca 0.58 1.83 0.03 0.00 0.04 0.00 0.00 61.00 63.47 1gth s PRO 919 Cb -0.26 -2.14 -0.02 0.00 0.04 0.00 0.00 34.50 32.11 1gth s PRO 919 CO 0.23 -0.93 0.50 0.00 0.04 0.00 0.00 177.00 176.84 1gth s ALA 920 N -1.57 3.84 0.26 8.56 0.00 -1.26 -4.93 121.76 126.66 1gth s ALA 920 Ca 0.71 -1.09 -0.03 0.00 0.00 0.00 0.00 51.96 51.55 1gth s ALA 920 Cb -0.30 -1.95 0.53 0.00 0.00 0.00 0.00 23.12 21.40 1gth s ALA 920 CO 0.35 -0.00 1.69 0.82 0.00 0.00 0.00 175.76 178.61 1gth h ILE 921 N 0.84 0.50 -0.02 0.00 1.08 -1.80 0.36 117.51 118.46 1gth h ILE 921 Ca -0.49 -0.10 0.01 0.00 -0.39 0.00 0.00 64.86 63.88 1gth h ILE 921 Cb 1.23 0.17 -0.00 0.00 -3.07 0.00 0.00 36.82 35.15 1gth h ILE 921 CO 0.59 0.05 0.03 0.07 -0.69 0.00 0.00 178.15 178.21 1gth h LYS 922 N 0.30 0.00 0.00 2.37 2.10 -1.94 -1.59 116.57 117.80 1gth h LYS 922 Ca 0.45 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 59.08 1gth h LYS 922 Cb 0.79 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.12 1gth h LYS 922 CO -0.52 0.00 -0.17 -0.44 -2.00 0.00 0.00 179.45 176.32 1gth h ASP 923 N 0.00 0.00 0.00 7.07 3.32 -0.64 -3.33 116.42 122.84 1gth h ASP 923 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1gth h ASP 923 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1gth h ASP 923 CO -0.00 0.10 -1.63 1.33 -1.72 0.00 0.00 179.24 177.32 1gth n VAL 924 N -3.09 0.00 -1.68 -1.35 0.24 -0.64 -4.86 118.33 106.95 1gth n VAL 924 Ca 0.03 -0.33 -0.44 0.00 -2.04 0.00 0.00 64.34 61.56 1gth n VAL 924 Cb 0.57 0.34 -0.04 0.00 -1.47 0.00 0.00 33.84 33.24 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 -1.99 0.39 -0.96 1.34 5.41 -0.98 -2.08 119.36 120.49 1gth n ILE 925 Ca -0.01 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.67 1gth n ILE 925 Cb 0.47 -2.01 0.00 0.00 -0.71 0.00 0.00 39.64 37.39 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 4.17 0.53 0.07 7.39 0.00 -0.18 -4.86 105.19 112.32 1gth n GLY 926 Ca 0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.05 0.09 0.09 1.61 4.76 -0.88 -2.26 118.16 119.52 1gth n LYS 927 Ca 0.00 0.41 0.09 0.00 -2.87 0.00 0.00 58.31 55.94 1gth n LYS 927 Cb 0.07 -1.70 -0.02 0.00 -1.84 0.00 0.00 35.03 31.54 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 -1.64 2.38 -0.02 7.82 0.00 -0.47 -4.17 120.51 124.41 1gth n ALA 928 Ca 0.02 -0.30 0.22 0.00 0.00 0.00 0.00 53.44 53.37 1gth n ALA 928 Cb 0.15 -1.08 0.71 0.00 0.00 0.00 0.00 19.45 19.23 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 -2.04 0.00 3.38 -1.57 -1.21 115.31 113.88 1gth h LEU 929 Ca -0.04 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1gth h LEU 929 Cb 1.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 1gth h LEU 929 CO 0.01 0.00 0.08 0.06 0.09 0.00 0.00 178.44 178.68 1gth h GLN 930 N 0.00 0.00 0.00 1.13 3.07 -1.77 -1.75 115.11 115.79 1gth h GLN 930 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.02 1gth h GLN 930 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.71 1gth h GLN 930 CO -0.00 0.00 -0.35 0.66 0.09 0.00 0.00 178.83 179.23 1gth n TYR 931 N -4.44 0.24 -3.19 0.06 4.02 -0.45 -4.88 117.16 108.52 1gth n TYR 931 Ca -0.00 0.07 -0.36 0.00 -0.01 0.00 0.00 57.90 57.60 1gth n TYR 931 Cb 0.20 -0.49 -0.06 0.00 -0.02 0.00 0.00 39.34 38.97 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 -3.48 4.37 0.00 7.72 1.43 -0.66 -5.04 118.68 123.03 1gth s LEU 932 Ca 0.10 1.31 0.00 0.00 -1.03 0.00 0.00 54.13 54.52 1gth s LEU 932 Cb 0.16 -3.41 0.00 0.00 0.03 0.00 0.00 46.19 42.97 1gth s LEU 932 CO 0.65 0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.93 1gth n GLY 933 N 0.89 1.48 3.90 -3.19 0.00 -1.26 -5.03 105.19 101.99 1gth n GLY 933 Ca -0.04 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 44.92 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 2.61 0.31 2.61 -4.23 -1.26 -4.97 115.64 108.25 1gth s THR 934 Ca 0.00 0.07 0.05 0.00 -1.18 0.00 0.00 61.69 60.63 1gth s THR 934 Cb 0.00 -3.17 0.08 0.00 1.34 0.00 0.00 72.50 70.75 1gth s THR 934 CO 0.00 -0.21 1.76 0.15 -0.54 0.00 0.00 174.62 175.78 1gth h PHE 935 N -0.77 0.42 0.00 3.99 3.57 -2.02 -2.67 116.94 119.47 1gth h PHE 935 Ca -0.45 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 60.94 1gth h PHE 935 Cb 1.30 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.93 1gth h PHE 935 CO 0.38 0.60 -0.11 0.78 -2.23 0.00 0.00 178.31 177.74 1gth h GLY 936 N 1.01 0.00 1.06 2.40 0.00 -2.05 -1.59 103.07 103.90 1gth h GLY 936 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1gth h GLY 936 CO 0.04 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.76 1gth n GLU 937 N -3.72 0.93 -3.38 4.80 1.02 -1.01 -4.77 120.64 114.53 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 0.22 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.08 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 -2.06 4.47 -0.05 -4.62 1.43 -0.60 -4.99 118.68 112.26 1gth s LEU 938 Ca 0.46 1.08 -0.29 0.00 -1.03 0.00 0.00 54.13 54.34 1gth s LEU 938 Cb 0.22 -2.74 -0.02 0.00 0.03 0.00 0.00 46.19 43.68 1gth s LEU 938 CO 0.38 0.26 0.97 -0.55 0.23 0.00 0.00 176.35 177.64 1gth s SER 939 N -0.87 7.29 0.00 2.29 0.15 -1.26 -4.93 113.70 116.37 1gth s SER 939 Ca 0.26 1.57 0.22 0.00 0.70 0.00 0.00 55.95 58.70 1gth s SER 939 Cb -0.18 -2.55 0.55 0.00 -1.71 0.00 0.00 66.02 62.13 1gth s SER 939 CO 0.15 -0.34 1.47 -0.46 1.20 0.00 0.00 173.24 175.27 1gth n ASN 940 N 4.40 3.74 -0.06 5.45 0.23 -1.26 -4.15 115.26 123.61 1gth n ASN 940 Ca 0.07 -1.99 -0.04 0.00 -0.53 0.00 0.00 54.58 52.09 1gth n ASN 940 Cb 0.50 -0.40 -0.14 0.00 -2.08 0.00 0.00 39.78 37.66 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 1.54 0.86 -2.55 1.53 -5.35 -1.26 -4.64 119.36 109.48 1gth n ILE 941 Ca 0.22 -0.65 -0.43 0.00 -0.27 0.00 0.00 62.75 61.62 1gth n ILE 941 Cb 0.61 -0.37 0.00 0.00 -1.74 0.00 0.00 39.64 38.14 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 -2.50 3.46 -2.51 6.28 1.02 -1.26 -4.97 120.64 120.15 1gth n GLU 942 Ca -0.21 -3.58 -0.27 0.00 -0.02 0.00 0.00 57.16 53.07 1gth n GLU 942 Cb 0.90 -3.02 0.01 0.00 -0.02 0.00 0.00 31.44 29.31 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 1.23 3.30 0.22 3.49 -1.52 -1.26 -4.99 119.66 120.12 1gth s GLN 943 Ca 0.42 0.14 0.03 0.00 -1.95 0.00 0.00 55.36 54.00 1gth s GLN 943 Cb 0.05 -2.32 -0.05 0.00 -0.22 0.00 0.00 33.01 30.46 1gth s GLN 943 CO 0.00 -0.42 -0.01 0.14 -0.25 0.00 0.00 175.29 174.76 1gth s VAL 944 N -2.86 1.00 0.09 1.09 -7.23 -1.26 -1.44 120.40 109.80 1gth s VAL 944 Ca 0.50 -2.03 0.01 0.00 -1.81 0.00 0.00 61.98 58.65 1gth s VAL 944 Cb -0.10 -2.28 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 1gth s VAL 944 CO 0.45 -0.37 -0.04 0.68 -0.31 0.00 0.00 175.10 175.51 1gth s VAL 945 N -3.44 0.50 0.09 1.32 -7.23 -0.36 -3.23 120.40 108.05 1gth s VAL 945 Ca 0.27 -1.90 -0.20 0.00 -1.81 0.00 0.00 61.98 58.34 1gth s VAL 945 Cb 0.05 -1.69 -0.07 0.00 0.56 0.00 0.00 36.38 35.24 1gth s VAL 945 CO 0.08 -0.86 0.60 0.00 -0.31 0.00 0.00 175.10 174.61 1gth s ALA 946 N -3.75 3.57 -0.06 1.32 0.00 -1.26 -1.22 121.76 120.35 1gth s ALA 946 Ca 0.12 0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.18 1gth s ALA 946 Cb 0.06 -2.68 0.02 0.00 0.00 0.00 0.00 23.12 20.52 1gth s ALA 946 CO -0.05 0.38 -0.09 0.54 0.00 0.00 0.00 175.76 176.54 1gth s VAL 947 N -1.13 0.92 -0.14 0.00 0.11 -0.18 -4.74 120.40 115.23 1gth s VAL 947 Ca 0.30 -0.33 -0.06 0.00 -2.93 0.00 0.00 61.98 58.96 1gth s VAL 947 Cb -0.20 -0.88 -0.04 0.00 -1.53 0.00 0.00 36.38 33.73 1gth s VAL 947 CO 0.20 0.31 0.07 -0.63 -3.33 0.00 0.00 175.10 171.73 1gth s ILE 948 N 0.88 4.91 -0.62 7.04 1.01 -1.26 -1.67 121.20 131.49 1gth s ILE 948 Ca -0.11 -0.01 -0.21 0.00 0.00 0.00 0.00 60.65 60.32 1gth s ILE 948 Cb -0.15 -3.16 0.08 0.00 0.01 0.00 0.00 42.46 39.25 1gth s ILE 948 CO 0.01 0.54 0.85 -0.62 0.00 0.00 0.00 174.94 175.73 1gth s ASP 949 N -0.36 6.19 0.62 3.58 -1.08 -0.38 -4.91 116.67 120.33 1gth s ASP 949 Ca 0.09 -1.11 0.32 0.00 -0.52 0.00 0.00 52.55 51.33 1gth s ASP 949 Cb -0.12 -2.37 1.80 0.00 -1.46 0.00 0.00 42.92 40.77 1gth s ASP 949 CO 0.02 -1.29 2.11 -0.33 0.52 0.00 0.00 175.17 176.20 1gth h GLU 950 N 9.39 0.00 0.00 4.34 5.08 -1.93 -1.24 114.58 130.22 1gth h GLU 950 Ca -0.29 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.04 1gth h GLU 950 Cb 1.08 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 -0.16 0.93 -1.00 0.00 0.00 179.01 179.91 1gth h GLU 951 N 0.00 0.00 0.00 2.33 4.39 -1.95 -3.21 114.58 116.15 1gth h GLU 951 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1gth h GLU 951 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1gth h GLU 951 CO -0.00 0.16 -1.65 -1.33 -1.16 0.00 0.00 179.01 175.04 1gth n MET 952 N -3.23 0.52 -1.79 2.33 2.81 -0.49 -4.58 117.12 112.69 1gth n MET 952 Ca 0.01 -0.12 -0.40 0.00 -1.81 0.00 0.00 57.70 55.39 1gth n MET 952 Cb 0.47 -1.56 0.01 0.00 -0.71 0.00 0.00 33.22 31.43 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 0.02 2.21 -2.35 0.00 -5.35 -1.26 -4.92 119.36 107.71 1gth n ILE 954 Ca 0.04 -2.23 -0.14 0.00 -0.27 0.00 0.00 62.75 60.15 1gth n ILE 954 Cb 0.41 -0.26 -0.01 0.00 -1.74 0.00 0.00 39.64 38.04 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 -0.93 -4.20 0.18 7.28 4.13 -1.26 -4.89 115.26 115.57 1gth n ASN 955 Ca 0.22 0.17 0.07 0.00 1.68 0.00 0.00 54.58 56.72 1gth n ASN 955 Cb 0.83 -3.57 0.20 0.00 -1.54 0.00 0.00 39.78 35.70 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 0.81 0.73 0.25 0.00 0.00 -1.26 -4.94 105.19 100.78 1gth n GLY 957 Ca 0.02 -0.85 -0.12 0.00 0.00 0.00 0.00 46.02 45.07 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 0.00 0.79 -0.67 1.61 1.57 -1.94 -1.35 116.57 116.59 1gth h LYS 958 Ca -0.10 -0.44 0.04 0.00 -1.87 0.00 0.00 60.65 58.28 1gth h LYS 958 Cb 0.33 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 1gth h LYS 958 CO 0.14 1.07 0.40 0.00 -0.57 0.00 0.00 179.45 180.50 1gth h TYR 960 N 0.78 0.21 -0.34 0.00 5.03 -1.89 -2.05 116.97 118.72 1gth h TYR 960 Ca 0.27 0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.49 1gth h TYR 960 Cb 0.06 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.25 1gth h TYR 960 CO -0.05 0.16 -0.21 0.52 -1.32 0.00 0.00 178.16 177.26 1gth h MET 961 N 0.20 0.64 -0.11 1.82 2.86 -0.78 -1.29 114.93 118.27 1gth h MET 961 Ca 0.06 -0.24 -0.18 0.00 -2.06 0.00 0.00 59.70 57.28 1gth h MET 961 Cb 0.01 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.62 1gth h MET 961 CO -0.01 0.81 -0.69 1.79 1.06 0.00 0.00 176.91 179.87 1gth h THR 962 N 0.57 1.36 0.00 2.22 1.35 -1.01 -2.00 112.91 115.40 1gth h THR 962 Ca 0.09 -2.04 -0.10 0.00 -0.55 0.00 0.00 66.41 63.81 1gth h THR 962 Cb 0.67 2.02 -0.01 0.00 -1.73 0.00 0.00 68.15 69.09 1gth h THR 962 CO 0.05 0.62 -0.49 0.00 -0.25 0.00 0.00 175.52 175.45 1gth h ASN 964 N 0.00 -0.00 -0.10 0.00 2.35 -1.05 -0.76 115.58 116.03 1gth h ASN 964 Ca -0.00 -0.72 0.00 0.00 -0.55 0.00 0.00 56.30 55.03 1gth h ASN 964 Cb 0.92 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.29 1gth h ASN 964 CO 0.06 0.72 0.00 0.47 -1.65 0.00 0.00 177.43 177.03 1gth n ASP 965 N -4.75 2.90 0.00 5.81 8.00 -0.77 -4.42 116.55 123.33 1gth n ASP 965 Ca -0.09 -1.91 0.00 0.00 0.71 0.00 0.00 54.79 53.50 1gth n ASP 965 Cb 0.35 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 1gth n ASP 965 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1gth n SER 966 N 1.24 0.00 0.00 -2.24 7.64 0.83 -5.05 113.62 116.04 1gth n SER 966 Ca 0.14 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 59.02 1gth n SER 966 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 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 0.00 4.68 0.22 0.23 0.00 -0.62 -4.83 105.19 104.86 1gth n GLY 967 Ca 0.00 -0.64 0.08 0.00 0.00 0.00 0.00 46.02 45.46 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 -4.13 1.61 4.02 -0.51 -4.89 117.16 113.26 1gth n TYR 968 Ca 0.00 -0.87 -0.32 0.00 -0.01 0.00 0.00 57.90 56.70 1gth n TYR 968 Cb 0.00 -0.14 -0.03 0.00 -0.02 0.00 0.00 39.34 39.15 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 -1.13 -3.02 -0.16 -0.72 3.00 -0.41 -4.85 117.38 110.09 1gth n GLN 969 Ca 0.13 0.36 0.12 0.00 -0.01 0.00 0.00 57.00 57.60 1gth n GLN 969 Cb 0.67 -4.75 0.19 0.00 0.00 0.00 0.00 30.24 26.35 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 -4.41 2.42 -2.90 -1.58 0.00 -1.26 -4.94 120.51 107.84 1gth n ALA 970 Ca -0.11 -0.96 -0.33 0.00 0.00 0.00 0.00 53.44 52.05 1gth n ALA 970 Cb 0.58 -0.83 -0.14 0.00 0.00 0.00 0.00 19.45 19.06 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 -1.51 3.10 -0.10 0.00 1.01 -1.26 -0.37 121.20 122.07 1gth s ILE 971 Ca 0.36 -0.66 -0.13 0.00 0.00 0.00 0.00 60.65 60.22 1gth s ILE 971 Cb 0.22 -2.28 -0.05 0.00 0.01 0.00 0.00 42.46 40.36 1gth s ILE 971 CO 0.31 0.54 0.32 -1.10 0.00 0.00 0.00 174.94 175.01 1gth s GLN 972 N 0.03 4.02 -0.29 2.79 -0.21 -0.38 -4.92 119.66 120.70 1gth s GLN 972 Ca -0.04 0.19 0.03 0.00 0.02 0.00 0.00 55.36 55.56 1gth s GLN 972 Cb -0.14 -3.32 0.08 0.00 1.00 0.00 0.00 33.01 30.62 1gth s GLN 972 CO 0.04 0.47 -0.05 0.12 -2.12 0.00 0.00 175.29 173.75 1gth s PHE 973 N -0.26 3.45 0.15 0.91 5.36 -1.26 -0.84 117.98 125.49 1gth s PHE 973 Ca 0.19 -2.59 -0.32 0.00 -0.96 0.00 0.00 56.93 53.25 1gth s PHE 973 Cb -0.14 -2.32 -0.12 0.00 -0.34 0.00 0.00 43.02 40.10 1gth s PHE 973 CO 0.07 -0.91 1.73 -3.47 -1.46 0.00 0.00 175.22 171.19 1gth n ASP 974 N 4.36 3.74 0.17 6.13 2.03 -0.88 -4.89 116.55 127.21 1gth n ASP 974 Ca -0.07 1.04 0.13 0.00 0.52 0.00 0.00 54.79 56.41 1gth n ASP 974 Cb 0.42 -1.51 0.54 0.00 -0.72 0.00 0.00 41.12 39.85 1gth n ASP 974 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1gth h PRO 975 N 7.29 0.00 0.00 -0.67 0.13 -1.98 -0.21 132.00 136.56 1gth h PRO 975 Ca -0.45 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.38 1gth h PRO 975 Cb 1.23 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 1gth h PRO 975 CO 0.94 0.00 -2.15 0.39 -0.23 0.00 0.00 178.00 176.94 1gth n GLU 976 N -2.48 0.58 -0.00 0.86 -0.58 -1.26 -4.66 120.64 113.10 1gth n GLU 976 Ca 0.02 0.11 0.11 0.00 -0.42 0.00 0.00 57.16 56.97 1gth n GLU 976 Cb 0.26 -1.41 -0.13 0.00 -0.57 0.00 0.00 31.44 29.59 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 -3.06 0.03 -3.35 2.62 -2.24 -1.25 -4.98 114.28 102.05 1gth n THR 977 Ca -0.35 -0.29 -0.24 0.00 -2.27 0.00 0.00 64.05 60.90 1gth n THR 977 Cb 0.89 0.39 0.04 0.00 -2.10 0.00 0.00 70.33 69.55 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 -1.96 -2.28 -4.23 4.78 8.25 -0.09 -4.78 115.22 114.91 1gth n HIS 978 Ca -0.00 0.72 -0.34 0.00 -0.26 0.00 0.00 57.72 57.83 1gth n HIS 978 Cb 0.47 -4.44 -0.11 0.00 1.12 0.00 0.00 29.99 27.04 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 -6.94 3.55 0.28 2.41 1.43 -1.26 -4.31 118.68 113.84 1gth s LEU 979 Ca 0.45 0.01 -0.07 0.00 -1.03 0.00 0.00 54.13 53.49 1gth s LEU 979 Cb -0.21 -1.87 -0.06 0.00 0.03 0.00 0.00 46.19 44.09 1gth s LEU 979 CO 0.56 0.21 0.58 -2.16 0.23 0.00 0.00 176.35 175.76 1gth s PRO 980 N 0.15 3.70 -0.04 1.29 0.04 -1.26 -2.06 135.00 136.82 1gth s PRO 980 Ca 0.02 0.14 -0.02 0.00 0.04 0.00 0.00 61.00 61.18 1gth s PRO 980 Cb -0.13 -2.62 0.03 0.00 0.04 0.00 0.00 34.50 31.82 1gth s PRO 980 CO 0.02 0.22 0.05 0.99 0.04 0.00 0.00 177.00 178.31 1gth s THR 981 N -2.04 -0.01 -0.09 1.26 2.01 -0.02 -4.94 115.64 111.81 1gth s THR 981 Ca 0.46 0.35 -0.30 0.00 0.31 0.00 0.00 61.69 62.51 1gth s THR 981 Cb -0.11 -0.21 -0.02 0.00 0.01 0.00 0.00 72.50 72.17 1gth s THR 981 CO 0.27 0.18 1.19 -0.69 -0.69 0.00 0.00 174.62 174.89 1gth s VAL 982 N 1.99 4.32 0.70 3.82 1.01 -1.26 -1.24 120.40 129.74 1gth s VAL 982 Ca 0.03 1.63 0.01 0.00 0.00 0.00 0.00 61.98 63.65 1gth s VAL 982 Cb -0.12 -4.05 0.14 0.00 0.00 0.00 0.00 36.38 32.35 1gth s VAL 982 CO -0.03 -0.04 0.96 0.35 0.00 0.00 0.00 175.10 176.34 1gth n THR 983 N 4.81 0.00 0.41 3.92 -2.24 0.50 -4.99 114.28 116.70 1gth n THR 983 Ca 0.11 -1.58 0.09 0.00 -2.27 0.00 0.00 64.05 60.40 1gth n THR 983 Cb 0.46 -0.86 0.37 0.00 -2.10 0.00 0.00 70.33 68.20 1gth n THR 983 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1gth n ASP 984 N -2.85 0.27 -0.09 3.42 2.03 -1.26 -2.65 116.55 115.42 1gth n ASP 984 Ca 0.16 0.57 0.14 0.00 0.52 0.00 0.00 54.79 56.19 1gth n ASP 984 Cb 0.58 -0.63 0.79 0.00 -0.72 0.00 0.00 41.12 41.14 1gth n ASP 984 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1gth n THR 985 N -1.81 0.01 -1.80 5.18 -2.24 -1.26 -4.88 114.28 107.48 1gth n THR 985 Ca 0.03 -0.05 -0.41 0.00 -2.27 0.00 0.00 64.05 61.34 1gth n THR 985 Cb 0.17 -0.28 -0.01 0.00 -2.10 0.00 0.00 70.33 68.12 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 1.22 0.00 -1.15 0.00 -2.24 -1.26 -4.94 114.28 105.91 1gth n THR 987 Ca 0.04 -0.41 -0.05 0.00 -2.27 0.00 0.00 64.05 61.37 1gth n THR 987 Cb 0.39 1.20 -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 0.94 0.72 0.37 3.38 0.00 -1.20 -4.74 105.19 104.66 1gth n GLY 988 Ca 0.06 -0.86 0.19 0.00 0.00 0.00 0.00 46.02 45.41 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 -4.38 0.00 -0.23 0.00 -1.04 -1.26 -4.97 114.28 102.40 1gth n THR 990 Ca 0.08 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.02 1gth n THR 990 Cb 0.56 0.00 0.04 0.00 -1.82 0.00 0.00 70.33 69.10 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 0.91 -0.51 -4.42 3.38 -1.97 -2.55 115.31 110.14 1gth h LEU 991 Ca 0.00 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 57.82 1gth h LEU 991 Cb 0.00 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 1gth h LEU 991 CO 0.00 0.85 0.27 0.00 0.09 0.00 0.00 178.44 179.65 1gth h LEU 993 N 0.53 0.36 -1.13 0.00 6.46 -1.90 -1.99 115.31 117.64 1gth h LEU 993 Ca 0.22 -0.06 -0.04 0.00 -0.12 0.00 0.00 57.88 57.89 1gth h LEU 993 Cb 0.11 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 39.94 1gth h LEU 993 CO -0.14 0.44 -0.18 0.28 -0.62 0.00 0.00 178.44 178.22 1gth h SER 994 N 0.38 0.00 -0.00 1.25 0.02 -0.76 -3.21 113.55 111.23 1gth h SER 994 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1gth h SER 994 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1gth h SER 994 CO 0.01 0.18 -0.54 1.33 -1.14 0.00 0.00 176.83 176.66 1gth n VAL 995 N -3.32 0.00 -1.81 2.27 0.24 -0.79 -4.99 118.33 109.93 1gth n VAL 995 Ca 0.00 -0.23 -0.42 0.00 -2.04 0.00 0.00 64.34 61.66 1gth n VAL 995 Cb 0.41 1.07 -0.03 0.00 -1.47 0.00 0.00 33.84 33.82 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 6.27 0.00 -4.76 0.00 0.13 -1.92 -3.43 132.00 128.30 1gth h PRO 997 Ca -0.44 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.02 1gth h PRO 997 Cb 1.21 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.15 1gth h PRO 997 CO 0.90 0.07 -0.47 0.42 -0.23 0.00 0.00 178.00 178.69 1gth s ILE 998 N -3.52 5.28 0.11 -3.56 -1.09 -1.26 -5.05 121.20 112.12 1gth s ILE 998 Ca 0.03 -0.14 -0.32 0.00 -2.23 0.00 0.00 60.65 57.98 1gth s ILE 998 Cb 0.08 -3.69 -0.12 0.00 -1.58 0.00 0.00 42.46 37.15 1gth s ILE 998 CO 0.60 0.02 1.77 -0.38 -1.23 0.00 0.00 174.94 175.73 1gth n ILE 999 N 5.11 0.28 -1.24 2.92 5.41 -1.26 -1.99 119.36 128.58 1gth n ILE 999 Ca -0.13 -0.05 -0.08 0.00 1.00 0.00 0.00 62.75 63.49 1gth n ILE 999 Cb 0.50 -1.93 -0.04 0.00 -0.71 0.00 0.00 39.64 37.46 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 5.10 -4.76 -0.15 4.38 10.43 -1.26 -4.86 116.55 125.43 1gth n ASP 1000Ca 0.18 0.21 -0.11 0.00 2.57 0.00 0.00 54.79 57.64 1gth n ASP 1000Cb 0.34 -3.00 -0.01 0.00 1.84 0.00 0.00 41.12 40.29 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 -4.71 3.80 0.08 0.00 1.01 -1.26 -1.25 121.20 118.88 1gth s ILE 1002Ca -0.12 -0.43 0.04 0.00 0.00 0.00 0.00 60.65 60.14 1gth s ILE 1002Cb 0.11 -2.59 -0.03 0.00 0.01 0.00 0.00 42.46 39.96 1gth s ILE 1002CO 0.85 0.57 -0.11 -0.13 0.00 0.00 0.00 174.94 176.12 1gth s ARG 1003N -0.52 0.81 -0.23 2.79 0.52 -0.67 -4.94 118.95 116.71 1gth s ARG 1003Ca 0.08 -1.05 -0.13 0.00 -0.52 0.00 0.00 55.73 54.11 1gth s ARG 1003Cb -0.12 -0.61 -0.05 0.00 0.52 0.00 0.00 34.95 34.69 1gth s ARG 1003CO 0.02 0.11 0.26 -1.64 0.02 0.00 0.00 175.30 174.07 1gth s MET 1004N -2.31 4.09 0.19 3.54 -1.94 -1.26 -1.01 119.30 120.60 1gth s MET 1004Ca 0.01 -0.09 0.10 0.00 -1.71 0.00 0.00 55.69 54.01 1gth s MET 1004Cb -0.06 -3.56 -0.04 0.00 2.01 0.00 0.00 34.83 33.18 1gth s MET 1004CO 0.01 -0.02 -0.21 0.14 -0.01 0.00 0.00 175.02 174.93 1gth s VAL 1005N 1.28 2.13 0.27 -6.03 -7.23 -0.36 -4.92 120.40 105.55 1gth s VAL 1005Ca 0.12 -2.05 -0.30 0.00 -1.81 0.00 0.00 61.98 57.94 1gth s VAL 1005Cb -0.14 -2.03 -0.13 0.00 0.56 0.00 0.00 36.38 34.63 1gth s VAL 1005CO 0.07 -0.26 1.33 -1.20 -0.31 0.00 0.00 175.10 174.73 1gth n SER 1006N 0.13 2.57 -4.74 4.85 7.64 -1.26 -1.22 113.62 121.58 1gth n SER 1006Ca -0.12 1.16 -0.41 0.00 1.01 0.00 0.00 58.87 60.52 1gth n SER 1006Cb 0.57 -1.42 -0.04 0.00 -1.01 0.00 0.00 64.21 62.32 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 -0.87 4.52 -0.02 1.43 3.52 -0.52 -4.73 118.95 122.27 1gth s ARG 1007Ca 0.64 1.88 0.20 0.00 -0.13 0.00 0.00 55.73 58.32 1gth s ARG 1007Cb -0.64 -3.22 -0.29 0.00 -1.56 0.00 0.00 34.95 29.23 1gth s ARG 1007CO 0.54 -0.03 0.49 0.25 -0.81 0.00 0.00 175.30 175.73 1gth n THR 1008N 2.14 0.00 -3.68 4.11 -2.24 -1.26 -4.93 114.28 108.42 1gth n THR 1008Ca 0.03 -0.39 -0.28 0.00 -2.27 0.00 0.00 64.05 61.14 1gth n THR 1008Cb 0.45 0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.83 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 -3.29 5.20 0.13 4.28 -4.23 -1.26 -5.04 115.64 111.43 1gth s THR 1009Ca -0.05 -0.30 -0.31 0.00 -1.18 0.00 0.00 61.69 59.85 1gth s THR 1009Cb 0.13 -3.72 -0.09 0.00 1.34 0.00 0.00 72.50 70.16 1gth s THR 1009CO 0.81 -0.14 1.59 -2.84 -0.54 0.00 0.00 174.62 173.50 1gth s PRO 1010N -3.23 4.21 0.07 3.99 0.02 -1.26 -4.97 135.00 133.84 1gth s PRO 1010Ca 0.39 2.35 -0.28 0.00 0.02 0.00 0.00 61.00 63.48 1gth s PRO 1010Cb -0.11 -3.29 -0.05 0.00 0.02 0.00 0.00 34.50 31.06 1gth s PRO 1010CO 0.28 -0.64 0.88 -0.47 -0.33 0.00 0.00 177.00 176.72 1gth s TYR 1011N 1.59 3.77 -0.13 6.54 5.04 -1.26 -5.04 117.35 127.85 1gth s TYR 1011Ca 0.71 1.65 -0.04 0.00 -2.44 0.00 0.00 57.07 56.95 1gth s TYR 1011Cb -0.42 -2.96 0.06 0.00 0.35 0.00 0.00 41.96 38.98 1gth s TYR 1011CO 0.31 0.21 0.14 -2.00 -1.34 0.00 0.00 175.55 172.88 1gth s GLU 1012N 0.07 0.06 0.37 4.97 2.12 -1.26 -5.14 118.70 119.90 1gth s GLU 1012Ca 0.44 0.28 -0.28 0.00 0.36 0.00 0.00 54.97 55.76 1gth s GLU 1012Cb -0.22 -0.95 -0.11 0.00 0.26 0.00 0.00 34.13 33.11 1gth s GLU 1012CO 0.27 -0.49 1.51 -2.30 -0.54 0.00 0.00 175.26 173.70 1gth n PRO 1013N 5.31 2.71 -2.90 4.30 -0.02 -1.26 -4.96 135.00 138.18 1gth n PRO 1013Ca -0.05 0.95 -0.42 0.00 -2.02 0.00 0.00 63.50 61.96 1gth n PRO 1013Cb 0.50 -2.69 -0.05 0.00 -0.02 0.00 0.00 33.50 31.24 1gth n PRO 1013CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1gth s LYS 1014N -1.97 3.81 0.04 -0.52 1.02 -1.26 -4.91 119.74 115.95 1gth s LYS 1014Ca 0.54 0.45 0.24 0.00 0.02 0.00 0.00 55.97 57.22 1gth s LYS 1014Cb -0.47 -3.80 0.34 0.00 -0.52 0.00 0.00 37.83 33.38 1gth s LYS 1014CO 0.63 -0.87 1.29 0.54 -0.92 0.00 0.00 175.35 176.02 1gth n ARG 1015N 6.53 0.14 0.00 1.68 5.12 -1.26 -4.96 116.66 123.90 1gth n ARG 1015Ca 0.05 0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 1gth n ARG 1015Cb 0.48 -1.57 0.00 0.00 -1.16 0.00 0.00 32.46 30.21 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 1.43 1.73 2.91 -0.13 0.00 -1.26 -4.77 105.19 105.10 1gth n GLY 1016Ca 0.04 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 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 1.97 0.84 0.99 1.43 -1.26 -5.11 118.68 117.55 1gth s LEU 1017Ca 0.00 -0.05 -0.14 0.00 -1.03 0.00 0.00 54.13 52.92 1gth s LEU 1017Cb 0.00 -0.14 0.04 0.00 0.03 0.00 0.00 46.19 46.12 1gth s LEU 1017CO 0.00 0.03 0.75 -2.65 0.23 0.00 0.00 176.35 174.71 1gth n PRO 1018N 3.05 0.01 -3.27 1.29 -0.02 -1.26 -5.01 135.00 129.79 1gth n PRO 1018Ca -0.13 0.06 -0.26 0.00 -2.02 0.00 0.00 63.50 61.16 1gth n PRO 1018Cb 0.59 -2.08 -0.02 0.00 -0.02 0.00 0.00 33.50 31.97 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 -2.74 3.98 0.00 2.45 1.43 -1.26 -5.15 118.68 117.40 1gth s LEU 1019Ca 0.65 0.59 0.21 0.00 -1.03 0.00 0.00 54.13 54.56 1gth s LEU 1019Cb -0.28 -3.45 0.17 0.00 0.03 0.00 0.00 46.19 42.66 1gth s LEU 1019CO 0.59 -0.30 1.18 0.00 0.23 0.00 0.00 176.35 178.05