#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gth s PRO 3 N 0.00 2.62 -0.68 0.00 0.02 -1.26 -4.98 135.00 130.72 1gth s PRO 3 Ca 0.00 -0.26 -0.27 0.00 0.02 0.00 0.00 61.00 60.49 1gth s PRO 3 Cb 0.00 -2.29 0.02 0.00 0.02 0.00 0.00 34.50 32.25 1gth s PRO 3 CO 0.00 -0.85 1.35 0.08 -0.33 0.00 0.00 177.00 177.24 1gth s VAL 4 N -3.01 3.73 0.26 3.83 1.01 -1.26 -4.87 120.40 120.09 1gth s VAL 4 Ca 0.56 0.48 -0.04 0.00 0.00 0.00 0.00 61.98 62.99 1gth s VAL 4 Cb -0.11 -4.74 0.19 0.00 0.00 0.00 0.00 36.38 31.73 1gth s VAL 4 CO 0.43 -1.61 1.85 -0.07 0.00 0.00 0.00 175.10 175.70 1gth h LEU 5 N 13.25 0.95 -0.53 3.92 3.38 -1.99 -2.92 115.31 131.37 1gth h LEU 5 Ca -0.27 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1gth h LEU 5 Cb 1.07 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1gth h LEU 5 CO 1.25 0.82 0.00 -1.54 0.09 0.00 0.00 178.44 179.06 1gth n SER 6 N -4.31 0.48 -4.29 -0.43 3.41 -1.26 -4.79 113.62 102.43 1gth n SER 6 Ca 0.07 -1.82 -0.26 0.00 -0.26 0.00 0.00 58.87 56.60 1gth n SER 6 Cb 0.15 -0.24 -0.13 0.00 -0.26 0.00 0.00 64.21 63.73 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 -1.47 1.34 0.10 4.33 1.02 -1.11 -5.12 119.74 118.84 1gth s LYS 7 Ca 0.00 -1.10 -0.30 0.00 0.02 0.00 0.00 55.97 54.59 1gth s LYS 7 Cb 0.00 -1.57 -0.06 0.00 -0.52 0.00 0.00 37.83 35.68 1gth s LYS 7 CO 0.00 0.39 0.95 -0.51 -0.92 0.00 0.00 175.35 175.26 1gth s ASP 8 N -1.57 7.47 0.82 2.83 1.01 -1.26 -4.97 116.67 121.00 1gth s ASP 8 Ca 0.09 1.76 -0.11 0.00 0.71 0.00 0.00 52.55 54.99 1gth s ASP 8 Cb -0.10 -2.58 0.09 0.00 1.01 0.00 0.00 42.92 41.34 1gth s ASP 8 CO 0.03 -0.07 1.10 0.68 0.21 0.00 0.00 175.17 177.12 1gth s VAL 9 N 0.06 2.94 0.27 -1.27 -7.23 -1.26 -4.69 120.40 109.23 1gth s VAL 9 Ca 0.47 0.31 -0.02 0.00 -1.81 0.00 0.00 61.98 60.93 1gth s VAL 9 Cb -0.23 -2.98 0.31 0.00 0.56 0.00 0.00 36.38 34.04 1gth s VAL 9 CO 0.29 -0.40 1.63 0.00 -0.31 0.00 0.00 175.10 176.32 1gth h ALA 10 N -1.21 1.06 -0.79 1.32 0.00 -1.99 -1.12 119.26 116.53 1gth h ALA 10 Ca -0.48 0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1gth h ALA 10 Cb 1.27 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 19.42 1gth h ALA 10 CO 0.58 -0.46 0.52 -0.44 0.00 0.00 0.00 179.25 179.45 1gth h ASP 11 N 0.14 0.89 -0.21 0.00 3.32 -1.99 -0.48 116.42 118.09 1gth h ASP 11 Ca 0.50 -0.02 -0.17 0.00 0.02 0.00 0.00 57.03 57.37 1gth h ASP 11 Cb 0.97 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1gth h ASP 11 CO -0.69 0.63 -0.51 0.40 -1.72 0.00 0.00 179.24 177.34 1gth h ILE 12 N 1.04 1.31 -0.91 0.35 1.08 -1.62 -1.47 117.51 117.29 1gth h ILE 12 Ca 0.30 -1.73 0.08 0.00 -0.39 0.00 0.00 64.86 63.12 1gth h ILE 12 Cb -0.08 1.84 -0.06 0.00 -3.07 0.00 0.00 36.82 35.45 1gth h ILE 12 CO -0.08 0.55 0.59 -0.08 -0.69 0.00 0.00 178.15 178.44 1gth h GLU 13 N 0.44 0.95 -0.39 2.37 4.81 -0.98 0.02 114.58 121.79 1gth h GLU 13 Ca -0.00 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.07 1gth h GLU 13 Cb 1.13 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 1gth h GLU 13 CO 0.11 0.63 -0.15 1.03 -0.73 0.00 0.00 179.01 179.90 1gth h SER 14 N 0.98 0.81 0.58 1.04 0.87 -0.84 -2.80 113.55 114.19 1gth h SER 14 Ca 0.41 -0.39 -0.04 0.00 -1.23 0.00 0.00 61.79 60.54 1gth h SER 14 Cb 0.30 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1gth h SER 14 CO -0.17 1.02 -0.19 -0.29 -0.53 0.00 0.00 176.83 176.67 1gth h ILE 15 N 0.61 0.64 -0.16 2.23 2.10 -0.17 -2.26 117.51 120.51 1gth h ILE 15 Ca 0.09 -0.85 0.00 0.00 1.08 0.00 0.00 64.86 65.18 1gth h ILE 15 Cb 0.69 1.55 0.00 0.00 -1.09 0.00 0.00 36.82 37.97 1gth h ILE 15 CO 0.05 0.19 0.00 0.18 -1.08 0.00 0.00 178.15 177.49 1gth n LEU 16 N -3.59 1.52 -0.29 2.19 4.77 -0.12 -4.48 117.00 117.00 1gth n LEU 16 Ca -0.01 -0.64 0.12 0.00 -0.03 0.00 0.00 56.01 55.45 1gth n LEU 16 Cb 0.33 -0.10 0.28 0.00 -2.33 0.00 0.00 43.42 41.60 1gth n LEU 16 CO 0.32 0.32 0.98 0.00 -1.33 0.00 0.00 177.39 177.68 1gth h ALA 17 N 3.99 1.28 -0.46 -1.18 0.00 -1.17 -0.34 119.26 121.38 1gth h ALA 17 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1gth h ALA 17 Cb 0.44 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1gth h ALA 17 CO 0.00 -0.40 0.00 1.28 0.00 0.00 0.00 179.25 180.13 1gth n LEU 18 N -5.15 2.83 -4.74 0.00 4.77 -1.26 -4.94 117.00 108.51 1gth n LEU 18 Ca 0.20 -1.35 -0.41 0.00 -0.03 0.00 0.00 56.01 54.43 1gth n LEU 18 Cb 0.64 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 41.40 1gth n LEU 18 CO 0.10 0.67 0.99 0.21 -1.33 0.00 0.00 177.39 178.03 1gth s ASN 19 N -1.19 6.88 0.32 -1.43 2.47 -0.14 -4.94 114.94 116.91 1gth s ASN 19 Ca 0.36 2.44 -0.29 0.00 0.42 0.00 0.00 52.86 55.79 1gth s ASN 19 Cb 0.20 -2.61 -0.12 0.00 -1.45 0.00 0.00 41.25 37.26 1gth s ASN 19 CO 0.26 -0.53 1.52 -0.81 -3.72 0.00 0.00 177.10 173.82 1gth n PRO 20 N 2.42 2.58 -3.73 0.43 -0.04 -1.26 -5.01 135.00 130.39 1gth n PRO 20 Ca 0.05 0.91 -0.13 0.00 -0.04 0.00 0.00 63.50 64.30 1gth n PRO 20 Cb 0.43 -2.65 -0.13 0.00 -0.04 0.00 0.00 33.50 31.10 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 -1.15 0.19 0.19 0.54 0.52 -1.26 -5.13 118.95 112.84 1gth s ARG 21 Ca 0.60 0.49 -0.31 0.00 -0.52 0.00 0.00 55.73 55.99 1gth s ARG 21 Cb -0.51 -0.12 -0.09 0.00 0.52 0.00 0.00 34.95 34.75 1gth s ARG 21 CO 0.55 -0.16 1.42 0.99 0.02 0.00 0.00 175.30 178.12 1gth s THR 22 N 1.19 2.95 0.48 0.02 2.01 -1.26 -4.98 115.64 116.04 1gth s THR 22 Ca -0.09 0.74 -0.21 0.00 0.31 0.00 0.00 61.69 62.44 1gth s THR 22 Cb -0.10 -3.47 -0.08 0.00 0.01 0.00 0.00 72.50 68.85 1gth s THR 22 CO -0.08 0.09 1.04 -1.10 -0.69 0.00 0.00 174.62 173.88 1gth s GLN 23 N 0.36 3.83 0.01 4.92 -0.21 -1.26 -4.96 119.66 122.36 1gth s GLN 23 Ca 0.62 1.38 0.22 0.00 0.02 0.00 0.00 55.36 57.60 1gth s GLN 23 Cb -0.40 -2.14 -0.17 0.00 1.00 0.00 0.00 33.01 31.31 1gth s GLN 23 CO 0.36 -0.41 0.82 -1.13 -2.12 0.00 0.00 175.29 172.82 1gth n SER 24 N -0.87 0.58 -4.20 5.90 3.41 -1.26 -4.98 113.62 112.20 1gth n SER 24 Ca 0.09 -0.44 -0.12 0.00 -0.26 0.00 0.00 58.87 58.14 1gth n SER 24 Cb 0.52 1.22 -0.10 0.00 -0.26 0.00 0.00 64.21 65.59 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 -3.22 1.10 0.59 7.33 3.76 -1.26 -5.14 115.29 118.45 1gth s HIS 25 Ca 0.02 -1.28 -0.17 0.00 -0.15 0.00 0.00 55.06 53.47 1gth s HIS 25 Cb 0.15 -0.58 -0.04 0.00 1.11 0.00 0.00 32.58 33.22 1gth s HIS 25 CO 0.86 -0.53 1.11 0.00 -0.85 0.00 0.00 174.74 175.32 1gth s ALA 26 N -4.04 2.64 0.71 -1.40 0.00 -1.26 -5.01 121.76 113.40 1gth s ALA 26 Ca 0.33 0.66 -0.11 0.00 0.00 0.00 0.00 51.96 52.83 1gth s ALA 26 Cb 0.07 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.89 1gth s ALA 26 CO 0.08 -0.91 1.07 0.00 0.00 0.00 0.00 175.76 176.00 1gth s ALA 27 N -2.07 2.71 -0.21 0.00 0.00 -1.26 -5.07 121.76 115.86 1gth s ALA 27 Ca 0.69 -0.14 -0.03 0.00 0.00 0.00 0.00 51.96 52.48 1gth s ALA 27 Cb -0.21 -3.10 0.07 0.00 0.00 0.00 0.00 23.12 19.88 1gth s ALA 27 CO 0.33 -1.22 0.07 -1.17 0.00 0.00 0.00 175.76 173.76 1gth s LEU 28 N -5.48 0.99 -0.12 0.00 2.96 -1.26 -5.10 118.68 110.67 1gth s LEU 28 Ca 0.58 -0.92 -0.04 0.00 -0.22 0.00 0.00 54.13 53.53 1gth s LEU 28 Cb -0.13 -0.50 0.06 0.00 0.50 0.00 0.00 46.19 46.13 1gth s LEU 28 CO 0.54 -0.35 0.23 -1.00 -1.32 0.00 0.00 176.35 174.44 1gth s HIS 29 N 1.94 -0.33 0.81 5.38 3.76 -1.26 -5.15 115.29 120.44 1gth s HIS 29 Ca 0.02 0.77 -0.13 0.00 -0.15 0.00 0.00 55.06 55.57 1gth s HIS 29 Cb -0.17 -0.15 0.08 0.00 1.11 0.00 0.00 32.58 33.46 1gth s HIS 29 CO -0.14 -0.36 1.21 -1.54 -0.85 0.00 0.00 174.74 173.06 1gth s SER 30 N 2.37 3.57 0.39 1.40 1.04 -1.26 -4.81 113.70 116.40 1gth s SER 30 Ca 0.03 2.39 0.08 0.00 0.48 0.00 0.00 55.95 58.92 1gth s SER 30 Cb -0.12 -2.59 0.81 0.00 0.10 0.00 0.00 66.02 64.21 1gth s SER 30 CO -0.08 -2.68 1.97 0.74 0.98 0.00 0.00 173.24 174.17 1gth h THR 31 N -0.89 1.14 -0.13 2.02 2.02 -2.01 -1.81 112.91 113.25 1gth h THR 31 Ca -0.46 -0.53 -0.02 0.00 0.77 0.00 0.00 66.41 66.16 1gth h THR 31 Cb 1.30 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 68.62 1gth h THR 31 CO 0.46 0.18 -0.01 0.25 0.37 0.00 0.00 175.52 176.77 1gth h LEU 32 N 0.37 0.24 -0.81 2.58 5.85 -2.00 -1.73 115.31 119.81 1gth h LEU 32 Ca 0.09 -0.34 0.07 0.00 0.84 0.00 0.00 57.88 58.54 1gth h LEU 32 Cb 0.20 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 1gth h LEU 32 CO 0.00 0.52 0.49 0.00 -0.34 0.00 0.00 178.44 179.11 1gth h ALA 33 N 0.73 1.12 -0.53 1.25 0.00 -1.81 -1.99 119.26 118.02 1gth h ALA 33 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1gth h ALA 33 Cb 0.40 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1gth h ALA 33 CO 0.01 0.19 0.15 0.87 0.00 0.00 0.00 179.25 180.47 1gth h LYS 34 N 0.88 0.84 -0.93 0.00 1.79 -1.22 -1.74 116.57 116.19 1gth h LYS 34 Ca 0.36 -0.19 0.02 0.00 -2.18 0.00 0.00 60.65 58.66 1gth h LYS 34 Cb 0.21 -0.12 -0.05 0.00 -1.58 0.00 0.00 32.23 30.70 1gth h LYS 34 CO -0.19 0.79 0.61 0.87 -1.08 0.00 0.00 179.45 180.45 1gth h LYS 35 N 0.74 1.18 0.00 3.15 1.57 -0.81 -0.99 116.57 121.41 1gth h LYS 35 Ca 0.17 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.81 1gth h LYS 35 Cb 0.31 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1gth h LYS 35 CO -0.00 0.78 -0.32 -0.07 -0.57 0.00 0.00 179.45 179.27 1gth h LEU 36 N 1.21 0.00 0.00 2.94 3.38 -1.09 -3.26 115.31 118.49 1gth h LEU 36 Ca 0.36 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.09 1gth h LEU 36 Cb -0.06 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1gth h LEU 36 CO -0.10 0.32 -1.52 -0.78 0.09 0.00 0.00 178.44 176.45 1gth h ASP 37 N 0.00 0.00 -0.57 -0.43 3.58 -0.74 -3.40 116.42 114.86 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 0.91 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 41.86 1gth h ASP 37 CO 0.04 0.83 -0.06 0.50 -2.88 0.00 0.00 179.24 177.67 1gth h LYS 38 N 0.00 0.06 0.00 0.28 3.64 -1.24 -2.26 116.57 117.05 1gth h LYS 38 Ca -0.21 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1gth h LYS 38 Cb 1.82 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.63 1gth h LYS 38 CO 0.07 0.04 -0.00 0.87 -2.27 0.00 0.00 179.45 178.16 1gth h LYS 39 N 0.06 0.00 -0.00 1.90 1.57 -1.78 -2.66 116.57 115.66 1gth h LYS 39 Ca 0.29 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.98 1gth h LYS 39 Cb 0.45 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1gth h LYS 39 CO -0.53 0.00 -0.39 1.25 -0.57 0.00 0.00 179.45 179.22 1gth h HIS 40 N 0.00 0.01 -0.04 -1.35 2.76 -1.67 -3.17 115.15 111.69 1gth h HIS 40 Ca -0.00 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1gth h HIS 40 Cb 0.01 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.97 1gth h HIS 40 CO 0.00 0.39 0.00 0.91 -1.30 0.00 0.00 177.93 177.93 1gth n TRP 41 N -4.08 0.02 -1.67 5.26 7.02 -1.01 -3.64 117.44 119.34 1gth n TRP 41 Ca -0.02 -0.01 -0.52 0.00 -1.02 0.00 0.00 57.50 55.93 1gth n TRP 41 Cb 0.42 -0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.25 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 1.07 1.59 -0.11 -0.99 3.00 -1.18 -4.42 118.16 117.13 1gth n LYS 42 Ca 0.11 0.58 -0.23 0.00 -0.00 0.00 0.00 58.31 58.78 1gth n LYS 42 Cb 0.48 -2.32 -0.08 0.00 0.00 0.00 0.00 35.03 33.11 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 4.89 0.48 -2.40 1.64 5.12 -1.26 0.40 116.66 125.54 1gth n ARG 43 Ca 0.22 0.20 -0.25 0.00 -1.93 0.00 0.00 57.85 56.09 1gth n ARG 43 Cb 0.21 -1.32 0.13 0.00 -1.16 0.00 0.00 32.46 30.32 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 -6.87 4.00 0.46 0.55 4.22 -1.26 -4.94 114.94 111.09 1gth s ASN 44 Ca -0.31 -0.18 -0.25 0.00 -2.14 0.00 0.00 52.86 49.98 1gth s ASN 44 Cb 0.11 -0.10 -0.08 0.00 1.28 0.00 0.00 41.25 42.47 1gth s ASN 44 CO 0.41 -2.11 1.35 -2.84 -2.04 0.00 0.00 177.10 171.87 1gth s PRO 45 N -5.36 3.66 -0.27 3.55 0.02 -1.26 -4.97 135.00 130.38 1gth s PRO 45 Ca 0.68 2.25 -0.25 0.00 0.02 0.00 0.00 61.00 63.70 1gth s PRO 45 Cb -0.05 -2.58 -0.00 0.00 0.02 0.00 0.00 34.50 31.89 1gth s PRO 45 CO 0.47 -0.77 0.85 0.34 -0.33 0.00 0.00 177.00 177.56 1gth s ASP 46 N -0.74 6.80 0.36 2.53 -1.08 -1.26 -4.92 116.67 118.36 1gth s ASP 46 Ca 0.62 0.94 0.25 0.00 -0.52 0.00 0.00 52.55 53.84 1gth s ASP 46 Cb -0.40 -2.44 1.28 0.00 -1.46 0.00 0.00 42.92 39.90 1gth s ASP 46 CO 0.50 -0.59 1.77 0.07 0.52 0.00 0.00 175.17 177.44 1gth h LYS 47 N 7.84 0.00 0.00 4.34 2.10 -2.06 -1.60 116.57 127.20 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 0.90 0.00 -0.96 0.09 -2.00 0.00 0.00 179.45 177.47 1gth n ASN 48 N -2.38 0.63 -4.70 7.07 3.02 -1.26 -4.88 115.26 112.75 1gth n ASN 48 Ca -0.01 -0.28 -0.41 0.00 -0.03 0.00 0.00 54.58 53.85 1gth n ASN 48 Cb 0.10 0.75 -0.04 0.00 -0.61 0.00 0.00 39.78 39.98 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 4.28 0.10 -4.08 0.00 3.01 -1.26 -4.90 117.46 114.60 1gth n PHE 50 Ca 0.04 -0.05 -0.18 0.00 1.01 0.00 0.00 57.45 58.26 1gth n PHE 50 Cb 0.50 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.81 1gth n PHE 50 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1gth s HIS 51 N -1.90 0.55 0.17 1.38 2.46 -1.26 -4.97 115.29 111.73 1gth s HIS 51 Ca 0.32 -0.12 -0.16 0.00 0.47 0.00 0.00 55.06 55.58 1gth s HIS 51 Cb 0.21 -0.52 -0.07 0.00 -0.13 0.00 0.00 32.58 32.06 1gth s HIS 51 CO 0.31 -0.14 0.60 0.00 -2.47 0.00 0.00 174.74 173.03 1gth n GLU 53 N 0.75 -0.04 -2.09 0.00 0.00 -1.26 -4.83 120.64 113.17 1gth n GLU 53 Ca -0.04 -0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.70 1gth n GLU 53 Cb 0.52 -1.15 -0.03 0.00 0.00 0.00 0.00 31.44 30.78 1gth n GLU 53 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1gth s LYS 54 N -2.22 4.31 -0.04 3.44 1.02 -1.26 -4.93 119.74 120.06 1gth s LYS 54 Ca 0.44 2.21 0.06 0.00 0.02 0.00 0.00 55.97 58.70 1gth s LYS 54 Cb -0.20 -3.14 0.11 0.00 -0.52 0.00 0.00 37.83 34.07 1gth s LYS 54 CO 0.79 -0.36 1.07 1.28 -0.92 0.00 0.00 175.35 177.21 1gth n LEU 55 N 2.50 2.20 -4.69 3.17 4.77 -1.26 -4.80 117.00 118.88 1gth n LEU 55 Ca 0.07 -2.32 -0.44 0.00 -0.03 0.00 0.00 56.01 53.29 1gth n LEU 55 Cb 0.41 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 1gth n LEU 55 CO 0.60 0.57 1.40 1.21 -1.33 0.00 0.00 177.39 179.84 1gth n GLU 56 N -0.69 2.59 -1.74 3.23 2.13 -1.24 -1.17 120.64 123.75 1gth n GLU 56 Ca 0.06 0.94 -0.19 0.00 0.66 0.00 0.00 57.16 58.62 1gth n GLU 56 Cb 0.38 -2.79 -0.07 0.00 0.27 0.00 0.00 31.44 29.23 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 4.98 -5.22 -4.37 4.31 5.15 0.87 -4.58 115.26 116.40 1gth n ASN 57 Ca 0.18 0.39 -0.44 0.00 -0.60 0.00 0.00 54.58 54.11 1gth n ASN 57 Cb 0.34 -4.58 -0.08 0.00 -0.53 0.00 0.00 39.78 34.93 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 6.06 -0.28 1.20 3.84 -0.32 -4.90 114.94 118.02 1gth s ASN 58 Ca 0.00 -1.37 0.11 0.00 0.21 0.00 0.00 52.86 51.81 1gth s ASN 58 Cb 0.00 -2.15 0.58 0.00 -0.55 0.00 0.00 41.25 39.13 1gth s ASN 58 CO 0.00 -0.63 1.56 0.49 -2.79 0.00 0.00 177.10 175.73 1gth n PHE 59 N 5.16 1.50 -2.16 0.43 3.01 -1.26 -4.92 117.46 119.21 1gth n PHE 59 Ca -0.12 -1.31 -0.37 0.00 1.01 0.00 0.00 57.45 56.66 1gth n PHE 59 Cb 0.43 -0.52 0.00 0.00 -0.01 0.00 0.00 39.48 39.39 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 -1.93 5.88 -0.22 4.37 1.01 -1.26 -3.78 116.67 120.73 1gth s ASP 60 Ca 0.47 2.37 -0.39 0.00 0.71 0.00 0.00 52.55 55.71 1gth s ASP 60 Cb 0.40 -2.60 -0.15 0.00 1.01 0.00 0.00 42.92 41.58 1gth s ASP 60 CO 0.07 -1.12 1.78 -0.67 0.21 0.00 0.00 175.17 175.43 1gth n ASP 61 N -0.78 2.66 -0.66 0.27 2.03 -1.26 -4.71 116.55 114.10 1gth n ASP 61 Ca 0.09 1.05 0.07 0.00 0.52 0.00 0.00 54.79 56.52 1gth n ASP 61 Cb 0.48 -1.20 0.12 0.00 -0.72 0.00 0.00 41.12 39.80 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 4.72 0.48 -2.00 5.18 -5.35 -0.78 -5.01 119.36 116.59 1gth n ILE 62 Ca 0.25 -0.74 -0.42 0.00 -0.27 0.00 0.00 62.75 61.58 1gth n ILE 62 Cb 0.17 0.91 -0.03 0.00 -1.74 0.00 0.00 39.64 38.96 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 -1.07 4.26 0.28 6.28 1.02 -1.26 -4.89 119.74 124.35 1gth s LYS 63 Ca 0.22 2.30 0.25 0.00 0.02 0.00 0.00 55.97 58.76 1gth s LYS 63 Cb 0.13 -3.13 0.68 0.00 -0.52 0.00 0.00 37.83 34.98 1gth s LYS 63 CO 0.18 -0.47 1.73 0.45 -0.92 0.00 0.00 175.35 176.32 1gth h HIS 64 N 5.61 0.00 -0.01 3.18 3.86 -1.98 -3.28 115.15 122.53 1gth h HIS 64 Ca -0.45 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 1gth h HIS 64 Cb 1.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.68 1gth h HIS 64 CO 0.62 0.00 -0.28 0.25 0.86 0.00 0.00 177.93 179.38 1gth n THR 65 N -2.52 0.00 -1.80 2.45 -2.24 -1.26 -4.92 114.28 103.99 1gth n THR 65 Ca 0.05 -0.09 -0.42 0.00 -2.27 0.00 0.00 64.05 61.32 1gth n THR 65 Cb 0.46 0.28 -0.02 0.00 -2.10 0.00 0.00 70.33 68.95 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 -2.61 2.15 0.08 4.28 2.01 -1.24 -3.98 115.64 116.33 1gth s THR 66 Ca 0.22 0.12 0.09 0.00 0.31 0.00 0.00 61.69 62.42 1gth s THR 66 Cb 0.19 -3.08 -0.03 0.00 0.01 0.00 0.00 72.50 69.59 1gth s THR 66 CO 0.55 0.02 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.51 1gth s LEU 67 N -0.09 2.25 0.57 4.42 1.43 -1.26 -4.81 118.68 121.19 1gth s LEU 67 Ca 0.65 -0.64 0.09 0.00 -1.03 0.00 0.00 54.13 53.21 1gth s LEU 67 Cb -0.47 -1.02 0.08 0.00 0.03 0.00 0.00 46.19 44.81 1gth s LEU 67 CO 0.44 0.14 0.76 -0.83 0.23 0.00 0.00 176.35 177.08 1gth s GLY 68 N -1.63 1.79 0.10 -3.19 0.00 -1.26 -4.77 107.32 98.36 1gth s GLY 68 Ca 0.09 -2.06 -0.21 0.00 0.00 0.00 0.00 44.72 42.53 1gth s GLY 68 CO 0.04 -1.72 1.73 -2.09 0.00 0.00 0.00 173.10 171.06 1gth h GLU 69 N 0.23 0.16 -0.29 2.90 4.81 -1.99 0.10 114.58 120.51 1gth h GLU 69 Ca -0.30 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 58.98 1gth h GLU 69 Cb 1.29 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.57 1gth h GLU 69 CO 0.42 0.14 -0.19 -0.09 -0.73 0.00 0.00 179.01 178.56 1gth h ARG 70 N 0.13 -0.16 -0.54 1.92 2.43 -1.97 -0.19 114.38 116.01 1gth h ARG 70 Ca 0.04 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 1gth h ARG 70 Cb 0.02 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1gth h ARG 70 CO -0.01 -0.11 -0.01 0.78 -1.51 0.00 0.00 179.97 179.11 1gth h GLY 71 N -0.16 1.00 1.04 2.80 0.00 -1.91 -2.77 103.07 103.06 1gth h GLY 71 Ca 0.15 -0.71 -0.06 0.00 0.00 0.00 0.00 47.33 46.72 1gth h GLY 71 CO -0.39 0.65 0.18 0.00 0.00 0.00 0.00 176.54 176.99 1gth h ALA 72 N 1.13 0.87 -0.66 3.60 0.00 -0.37 -1.76 119.26 122.06 1gth h ALA 72 Ca 0.16 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1gth h ALA 72 Cb 0.52 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1gth h ALA 72 CO 0.03 0.57 0.18 -0.07 0.00 0.00 0.00 179.25 179.96 1gth h LEU 73 N 0.98 0.99 -0.09 0.00 3.38 -0.94 0.95 115.31 120.58 1gth h LEU 73 Ca 0.21 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1gth h LEU 73 Cb 0.34 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1gth h LEU 73 CO -0.00 0.95 0.04 0.03 0.09 0.00 0.00 178.44 179.55 1gth h ARG 74 N 0.98 0.13 -0.43 1.13 3.08 -1.28 -1.07 114.38 116.92 1gth h ARG 74 Ca 0.21 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.15 1gth h ARG 74 Cb 0.34 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1gth h ARG 74 CO -0.00 0.24 -0.09 1.49 -1.07 0.00 0.00 179.97 180.53 1gth h GLU 75 N -0.01 0.77 -0.54 0.04 4.57 -1.19 -2.01 114.58 116.21 1gth h GLU 75 Ca 0.03 -0.25 -0.11 0.00 -1.18 0.00 0.00 59.36 57.86 1gth h GLU 75 Cb 0.16 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 1gth h GLU 75 CO -0.00 0.84 -0.08 0.00 -1.18 0.00 0.00 179.01 178.58 1gth h ALA 76 N 1.19 0.82 0.00 2.92 0.00 -0.72 -2.57 119.26 120.91 1gth h ALA 76 Ca 0.12 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1gth h ALA 76 Cb 0.57 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1gth h ALA 76 CO 0.03 0.66 -0.31 0.52 0.00 0.00 0.00 179.25 180.16 1gth h MET 77 N 0.90 0.00 -0.01 0.00 2.86 -0.94 -2.95 114.93 114.79 1gth h MET 77 Ca 0.15 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.64 1gth h MET 77 Cb 0.64 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 1gth h MET 77 CO 0.04 0.31 -0.69 -0.09 1.06 0.00 0.00 176.91 177.55 1gth h ARG 78 N 0.00 0.07 -6.63 1.72 2.43 -0.99 -3.45 114.38 107.53 1gth h ARG 78 Ca -0.00 -0.06 -0.57 0.00 -0.81 0.00 0.00 59.98 58.54 1gth h ARG 78 Cb 0.58 0.01 0.08 0.00 -0.42 0.00 0.00 29.97 30.22 1gth h ARG 78 CO 0.04 0.73 0.69 0.00 -1.51 0.00 0.00 179.97 179.92 1gth h LEU 80 N 4.48 0.00 -2.18 0.00 3.38 -1.89 -3.45 115.31 115.65 1gth h LEU 80 Ca -0.45 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.15 1gth h LEU 80 Cb 1.26 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.13 1gth h LEU 80 CO 0.78 0.00 -0.85 0.29 0.09 0.00 0.00 178.44 178.75 1gth n LYS 81 N -2.93 -3.89 -1.68 1.13 5.02 -1.26 -4.84 118.16 109.70 1gth n LYS 81 Ca 0.02 0.69 -0.36 0.00 -2.02 0.00 0.00 58.31 56.65 1gth n LYS 81 Cb 0.36 -5.28 0.07 0.00 -0.02 0.00 0.00 35.03 30.16 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 -1.63 3.28 -1.71 0.00 0.00 -1.26 -3.50 121.76 116.93 1gth s ALA 83 Ca 0.79 0.64 -0.17 0.00 0.00 0.00 0.00 51.96 53.23 1gth s ALA 83 Cb -0.33 -3.23 0.15 0.00 0.00 0.00 0.00 23.12 19.71 1gth s ALA 83 CO 0.40 0.08 0.64 -3.47 0.00 0.00 0.00 175.76 173.42 1gth n ASP 84 N 0.92 -2.31 -4.55 0.00 2.03 -1.26 -4.70 116.55 106.69 1gth n ASP 84 Ca 0.00 -1.09 -0.58 0.00 0.52 0.00 0.00 54.79 53.65 1gth n ASP 84 Cb 0.48 -2.40 -0.08 0.00 -0.72 0.00 0.00 41.12 38.40 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 -4.32 -2.60 0.21 -1.67 0.00 -1.23 -4.88 120.51 106.02 1gth n ALA 85 Ca 0.02 0.56 0.08 0.00 0.00 0.00 0.00 53.44 54.09 1gth n ALA 85 Cb 0.52 -1.88 0.44 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 3.74 0.00 -0.53 0.00 0.13 -1.84 -2.71 132.00 130.79 1gth h PRO 86 Ca -0.49 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.57 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 0.72 0.29 0.06 0.00 -0.23 0.00 0.00 178.00 178.84 1gth h GLN 88 N 0.78 0.99 0.00 0.00 4.15 -1.74 -2.18 115.11 117.11 1gth h GLN 88 Ca 0.16 -0.31 -0.06 0.00 0.77 0.00 0.00 58.65 59.21 1gth h GLN 88 Cb 0.44 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 1gth h GLN 88 CO 0.02 0.99 -0.28 0.87 -1.93 0.00 0.00 178.83 178.49 1gth h LYS 89 N 0.90 0.00 -0.09 1.69 1.57 -1.23 -2.09 116.57 117.32 1gth h LYS 89 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1gth h LYS 89 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1gth h LYS 89 CO 0.03 0.28 0.00 0.43 -0.57 0.00 0.00 179.45 179.63 1gth n SER 90 N -4.10 1.24 -4.60 0.86 7.64 -0.25 -4.80 113.62 109.63 1gth n SER 90 Ca -0.02 -1.56 -0.37 0.00 1.01 0.00 0.00 58.87 57.93 1gth n SER 90 Cb 0.34 -0.06 -0.11 0.00 -1.01 0.00 0.00 64.21 63.38 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 7.98 0.00 -0.37 0.00 0.11 -1.87 0.09 132.00 137.95 1gth h PRO 92 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1gth h PRO 92 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1gth h PRO 92 CO 0.60 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.64 1gth n THR 93 N -4.02 0.49 -3.74 -1.15 -2.24 -1.26 -4.81 114.28 97.55 1gth n THR 93 Ca 0.07 -0.75 -0.25 0.00 -2.27 0.00 0.00 64.05 60.85 1gth n THR 93 Cb 0.55 0.99 0.05 0.00 -2.10 0.00 0.00 70.33 69.81 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 1.42 -2.33 -1.97 4.78 -0.00 0.02 -4.80 115.22 112.34 1gth n HIS 94 Ca 0.18 0.92 -0.41 0.00 0.46 0.00 0.00 57.72 58.87 1gth n HIS 94 Cb 0.59 -4.43 -0.02 0.00 -0.12 0.00 0.00 29.99 26.01 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 -7.05 4.38 -1.28 0.27 1.43 -1.26 -4.87 118.68 110.30 1gth s LEU 95 Ca 0.42 2.79 -0.19 0.00 -1.03 0.00 0.00 54.13 56.12 1gth s LEU 95 Cb -0.20 -3.64 0.03 0.00 0.03 0.00 0.00 46.19 42.40 1gth s LEU 95 CO 0.79 -0.72 1.82 -0.67 0.23 0.00 0.00 176.35 177.81 1gth n ASP 96 N 1.49 4.41 -0.31 2.29 4.64 -1.26 -4.57 116.55 123.24 1gth n ASP 96 Ca 0.04 -2.86 -0.01 0.00 -1.38 0.00 0.00 54.79 50.58 1gth n ASP 96 Cb 0.40 -1.73 0.12 0.00 -1.04 0.00 0.00 41.12 38.87 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 5.55 1.11 -0.40 5.18 2.04 -1.96 -2.25 117.51 126.79 1gth h ILE 97 Ca 0.41 -0.35 0.07 0.00 1.00 0.00 0.00 64.86 65.98 1gth h ILE 97 Cb 0.86 -0.01 -0.06 0.00 -0.74 0.00 0.00 36.82 36.87 1gth h ILE 97 CO 1.45 0.19 0.03 0.50 0.00 0.00 0.00 178.15 180.33 1gth h LYS 98 N 1.03 0.14 0.04 2.37 3.64 -1.89 -1.21 116.57 120.69 1gth h LYS 98 Ca 0.35 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1gth h LYS 98 Cb 0.05 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1gth h LYS 98 CO -0.13 0.09 -0.02 0.77 -2.27 0.00 0.00 179.45 177.90 1gth h SER 99 N 0.15 -0.04 0.17 4.20 0.02 -1.85 -1.54 113.55 114.66 1gth h SER 99 Ca 0.20 -0.27 -0.09 0.00 -0.84 0.00 0.00 61.79 60.79 1gth h SER 99 Cb 0.26 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 1gth h SER 99 CO -0.30 0.25 -0.32 2.19 -1.14 0.00 0.00 176.83 177.52 1gth h PHE 100 N -0.34 0.26 -0.12 3.45 -5.15 -1.33 -0.87 116.94 112.84 1gth h PHE 100 Ca -0.00 -0.06 -0.19 0.00 -0.20 0.00 0.00 57.97 57.52 1gth h PHE 100 Cb 0.31 -0.06 -0.00 0.00 0.22 0.00 0.00 35.95 36.42 1gth h PHE 100 CO 0.02 0.53 -0.70 0.82 -2.00 0.00 0.00 178.31 176.99 1gth h ILE 101 N 0.21 1.34 -0.47 0.88 2.04 -1.24 -1.66 117.51 118.61 1gth h ILE 101 Ca 0.03 -2.02 -0.00 0.00 1.00 0.00 0.00 64.86 63.87 1gth h ILE 101 Cb 0.67 1.99 -0.02 0.00 -0.74 0.00 0.00 36.82 38.72 1gth h ILE 101 CO 0.05 0.62 0.28 0.74 0.00 0.00 0.00 178.15 179.84 1gth h THR 102 N 0.38 1.14 -0.97 -0.27 2.02 -0.76 -0.85 112.91 113.61 1gth h THR 102 Ca -0.03 -0.32 0.03 0.00 0.77 0.00 0.00 66.41 66.87 1gth h THR 102 Cb 1.28 0.51 -0.06 0.00 -1.74 0.00 0.00 68.15 68.14 1gth h THR 102 CO 0.13 0.15 0.64 0.28 0.37 0.00 0.00 175.52 177.08 1gth h SER 103 N 0.62 1.06 -0.33 4.18 0.02 -1.01 -1.66 113.55 116.44 1gth h SER 103 Ca 0.17 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1gth h SER 103 Cb -0.01 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 1gth h SER 103 CO -0.03 0.73 0.12 0.40 -1.14 0.00 0.00 176.83 176.91 1gth h ILE 104 N 1.23 1.19 0.00 3.27 2.04 -0.56 0.24 117.51 124.92 1gth h ILE 104 Ca 0.39 -0.61 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 1gth h ILE 104 Cb -0.01 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1gth h ILE 104 CO -0.12 0.21 -0.02 0.77 0.00 0.00 0.00 178.15 178.99 1gth h SER 105 N 0.39 0.00 -0.61 1.72 4.64 -0.62 0.72 113.55 119.78 1gth h SER 105 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1gth h SER 105 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1gth h SER 105 CO -0.01 0.02 0.00 0.59 -0.87 0.00 0.00 176.83 176.56 1gth n ASN 106 N -3.29 3.34 -0.58 4.97 3.02 -0.67 -4.91 115.26 117.14 1gth n ASN 106 Ca -0.02 -2.00 -0.08 0.00 -0.03 0.00 0.00 54.58 52.46 1gth n ASN 106 Cb 0.13 -0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 38.86 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 1.33 -1.10 -3.15 3.52 5.02 0.25 -4.66 118.16 119.37 1gth n LYS 107 Ca 0.21 0.69 -0.44 0.00 -2.02 0.00 0.00 58.31 56.74 1gth n LYS 107 Cb 0.53 -4.71 0.00 0.00 -0.02 0.00 0.00 35.03 30.83 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 -0.40 5.67 0.10 4.39 5.15 0.75 -4.70 115.26 126.22 1gth n ASN 108 Ca -0.08 -3.12 0.00 0.00 -0.60 0.00 0.00 54.58 50.79 1gth n ASN 108 Cb 0.39 -1.39 0.31 0.00 -0.53 0.00 0.00 39.78 38.56 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 6.38 0.29 -0.04 1.20 0.99 -1.90 -2.12 116.97 121.77 1gth h TYR 109 Ca 0.22 -0.05 -0.00 0.00 2.00 0.00 0.00 58.73 60.89 1gth h TYR 109 Cb 0.80 -0.07 -0.00 0.00 1.00 0.00 0.00 36.73 38.45 1gth h TYR 109 CO 0.89 0.49 0.02 -0.92 -0.00 0.00 0.00 178.16 178.65 1gth h TYR 110 N 0.24 0.06 -0.53 4.88 3.20 -1.88 -0.09 116.97 122.85 1gth h TYR 110 Ca 0.04 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 1gth h TYR 110 Cb 0.56 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.79 1gth h TYR 110 CO 0.01 0.17 0.29 0.78 -1.64 0.00 0.00 178.16 177.77 1gth h GLY 111 N -0.06 0.77 0.75 1.82 0.00 -1.78 0.10 103.07 104.66 1gth h GLY 111 Ca 0.01 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 1gth h GLY 111 CO -0.00 0.32 -0.00 0.00 0.00 0.00 0.00 176.54 176.85 1gth h ALA 112 N 1.59 -0.01 -0.68 3.60 0.00 -1.08 -1.97 119.26 120.70 1gth h ALA 112 Ca 0.19 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1gth h ALA 112 Cb 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1gth h ALA 112 CO -0.03 -0.38 0.32 0.00 0.00 0.00 0.00 179.25 179.16 1gth h ALA 113 N 0.72 0.88 -0.49 0.00 0.00 -0.56 -1.42 119.26 118.39 1gth h ALA 113 Ca -0.00 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1gth h ALA 113 Cb 0.26 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1gth h ALA 113 CO 0.00 0.45 0.29 -0.22 0.00 0.00 0.00 179.25 179.78 1gth h LYS 114 N 0.95 0.57 -0.31 0.00 3.64 -0.76 0.61 116.57 121.26 1gth h LYS 114 Ca 0.23 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1gth h LYS 114 Cb 0.14 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1gth h LYS 114 CO -0.03 0.38 0.17 1.98 -2.27 0.00 0.00 179.45 179.68 1gth h MET 115 N 0.58 0.43 0.43 1.90 4.05 -1.03 -0.96 114.93 120.33 1gth h MET 115 Ca 0.19 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.55 1gth h MET 115 Cb 0.01 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.72 1gth h MET 115 CO -0.09 0.36 -0.28 0.82 0.23 0.00 0.00 176.91 177.96 1gth h ILE 116 N 0.38 0.42 0.00 1.77 2.04 -0.77 -2.76 117.51 118.59 1gth h ILE 116 Ca 0.11 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 1gth h ILE 116 Cb 0.05 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1gth h ILE 116 CO -0.02 0.00 -0.02 -0.26 0.00 0.00 0.00 178.15 177.85 1gth h PHE 117 N -0.68 0.00 -0.88 1.37 -1.00 -0.87 -0.76 116.94 114.12 1gth h PHE 117 Ca -0.04 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.75 1gth h PHE 117 Cb 0.57 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.08 1gth h PHE 117 CO -0.11 0.02 0.58 0.77 -1.61 0.00 0.00 178.31 177.97 1gth h SER 118 N 0.00 1.00 0.00 2.17 0.02 -0.86 -3.08 113.55 112.79 1gth h SER 118 Ca -0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1gth h SER 118 Cb 0.37 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1gth h SER 118 CO 0.00 0.72 -0.87 0.47 -1.14 0.00 0.00 176.83 176.01 1gth n ASP 119 N -4.41 0.86 -3.49 3.07 8.00 -1.05 -4.50 116.55 115.03 1gth n ASP 119 Ca 0.10 -0.68 -0.24 0.00 0.71 0.00 0.00 54.79 54.68 1gth n ASP 119 Cb 0.03 1.13 -0.13 0.00 -0.02 0.00 0.00 41.12 42.13 1gth n ASP 119 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1gth s ASN 120 N -2.62 2.76 0.39 -2.24 3.84 -0.32 -4.87 114.94 111.88 1gth s ASN 120 Ca 0.03 -1.04 0.26 0.00 0.21 0.00 0.00 52.86 52.33 1gth s ASN 120 Cb 0.11 -0.01 1.41 0.00 -0.55 0.00 0.00 41.25 42.21 1gth s ASN 120 CO 0.60 -0.41 1.81 -0.65 -2.79 0.00 0.00 177.10 175.65 1gth h PRO 121 N 8.35 0.00 -1.08 0.43 0.11 -1.84 -1.56 132.00 136.41 1gth h PRO 121 Ca -0.17 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.33 1gth h PRO 121 Cb 1.04 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 31.77 1gth h PRO 121 CO 0.39 0.00 -0.31 1.28 -0.21 0.00 0.00 178.00 179.15 1gth n LEU 122 N -2.43 5.64 -0.31 2.35 4.32 -1.26 -4.85 117.00 120.46 1gth n LEU 122 Ca -0.02 -4.78 0.08 0.00 -0.02 0.00 0.00 56.01 51.28 1gth n LEU 122 Cb 0.05 -0.55 0.24 0.00 -1.62 0.00 0.00 43.42 41.54 1gth n LEU 122 CO 0.12 1.99 1.13 1.23 -1.22 0.00 0.00 177.39 180.64 1gth h GLY 123 N 2.31 1.47 0.67 -0.72 0.00 -1.60 -1.48 103.07 103.72 1gth h GLY 123 Ca 0.42 -0.29 -0.07 0.00 0.00 0.00 0.00 47.33 47.39 1gth h GLY 123 CO 1.00 -0.02 -0.21 -2.00 0.00 0.00 0.00 176.54 175.31 1gth h LEU 124 N 0.68 0.35 -0.14 3.11 5.85 -1.88 -1.94 115.31 121.34 1gth h LEU 124 Ca 0.48 -0.58 0.04 0.00 0.84 0.00 0.00 57.88 58.67 1gth h LEU 124 Cb 0.67 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 1gth h LEU 124 CO -0.35 0.86 -0.14 0.74 -0.34 0.00 0.00 178.44 179.21 1gth h THR 125 N -0.16 0.62 -0.68 1.05 2.02 -1.83 -2.11 112.91 111.83 1gth h THR 125 Ca -0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1gth h THR 125 Cb 0.81 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 1gth h THR 125 CO 0.05 0.00 0.30 0.00 0.37 0.00 0.00 175.52 176.23 1gth h GLY 127 N 1.04 1.15 1.71 0.00 0.00 -0.79 0.15 103.07 106.34 1gth h GLY 127 Ca 0.23 -0.39 -0.25 0.00 0.00 0.00 0.00 47.33 46.92 1gth h GLY 127 CO -0.03 0.32 -1.20 -0.33 0.00 0.00 0.00 176.54 175.31 1gth h MET 128 N 0.97 0.16 0.00 4.80 2.86 -0.70 -3.38 114.93 119.64 1gth h MET 128 Ca 0.33 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1gth h MET 128 Cb 0.10 0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1gth h MET 128 CO -0.11 1.10 -0.46 1.33 1.06 0.00 0.00 176.91 179.83 1gth n VAL 129 N -3.44 0.00 -1.67 -2.22 0.24 -0.07 -4.95 118.33 106.23 1gth n VAL 129 Ca -0.06 -0.32 -0.45 0.00 -2.04 0.00 0.00 64.34 61.47 1gth n VAL 129 Cb 1.00 0.89 -0.03 0.00 -1.47 0.00 0.00 33.84 34.23 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 2.81 3.10 -0.34 0.00 -0.04 -1.26 -4.79 135.00 134.47 1gth n PRO 131 Ca 0.14 -2.70 0.26 0.00 -0.04 0.00 0.00 63.50 61.17 1gth n PRO 131 Cb 0.30 -3.17 0.55 0.00 -0.04 0.00 0.00 33.50 31.15 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 3.82 0.45 -0.01 0.52 1.35 -1.94 -0.10 112.91 117.00 1gth h THR 132 Ca 0.59 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 66.34 1gth h THR 132 Cb 0.59 0.12 -0.00 0.00 -1.73 0.00 0.00 68.15 67.13 1gth h THR 132 CO 1.83 0.06 0.02 0.77 -0.25 0.00 0.00 175.52 177.95 1gth h SER 133 N 0.30 0.00 -0.30 5.36 4.64 -1.91 0.19 113.55 121.83 1gth h SER 133 Ca 0.63 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.95 1gth h SER 133 Cb 1.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.84 1gth h SER 133 CO -0.29 0.00 0.00 -0.67 -0.87 0.00 0.00 176.83 175.00 1gth n ASP 134 N -3.60 3.04 0.00 4.97 2.03 -0.06 -3.80 116.55 119.14 1gth n ASP 134 Ca -0.03 -1.88 0.00 0.00 0.52 0.00 0.00 54.79 53.40 1gth n ASP 134 Cb 0.10 -0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 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 1.11 0.00 -0.14 -2.67 4.77 0.61 -4.90 117.00 115.78 1gth n LEU 135 Ca 0.15 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.05 1gth n LEU 135 Cb 0.50 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 1gth n LEU 135 CO 0.12 0.00 0.61 0.00 -1.33 0.00 0.00 177.39 176.79 1gth h VAL 137 N -0.26 0.79 0.00 0.00 2.07 -1.74 -1.34 116.25 115.77 1gth h VAL 137 Ca 0.17 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 1gth h VAL 137 Cb 0.56 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1gth h VAL 137 CO -0.58 0.00 -0.04 1.23 0.02 0.00 0.00 177.57 178.20 1gth h GLY 138 N 0.00 0.00 -1.47 2.17 0.00 -0.67 -2.49 103.07 100.61 1gth h GLY 138 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 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 -0.74 2.53 3.69 4.60 0.00 -0.51 -5.01 105.19 109.75 1gth n GLY 139 Ca -0.02 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 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 8.09 0.00 0.12 0.00 2.35 -1.94 -1.65 115.58 122.54 1gth h ASN 141 Ca -0.41 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.34 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 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 176.88 1gth n LEU 142 N -4.43 0.00 0.25 1.61 4.77 -1.26 -1.13 117.00 116.81 1gth n LEU 142 Ca 0.01 0.17 0.11 0.00 -0.03 0.00 0.00 56.01 56.27 1gth n LEU 142 Cb 0.27 -0.17 0.63 0.00 -2.33 0.00 0.00 43.42 41.83 1gth n LEU 142 CO 0.34 -0.11 0.91 0.22 -1.33 0.00 0.00 177.39 177.43 1gth h TYR 143 N 0.00 0.00 -0.02 -1.77 3.20 -1.50 -1.95 116.97 114.92 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 0.06 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.33 1gth h TYR 143 CO 0.00 0.17 0.00 0.00 -1.64 0.00 0.00 178.16 176.69 1gth n ALA 144 N -2.27 2.54 -2.40 1.82 0.00 -0.29 -4.76 120.51 115.15 1gth n ALA 144 Ca -0.01 -0.07 -0.20 0.00 0.00 0.00 0.00 53.44 53.15 1gth n ALA 144 Cb 0.30 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.29 1.90 0.29 0.00 -4.23 -0.74 -5.05 115.64 106.53 1gth s THR 145 Ca 0.02 -2.16 -0.00 0.00 -1.18 0.00 0.00 61.69 58.37 1gth s THR 145 Cb 0.02 -2.03 0.16 0.00 1.34 0.00 0.00 72.50 71.98 1gth s THR 145 CO 0.01 -0.48 1.84 -0.33 -0.54 0.00 0.00 174.62 175.12 1gth h GLU 146 N 2.71 0.79 0.00 3.99 3.07 -1.86 -2.10 114.58 121.18 1gth h GLU 146 Ca -0.40 -0.15 0.00 0.00 -0.50 0.00 0.00 59.36 58.31 1gth h GLU 146 Cb 1.22 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 1gth h GLU 146 CO 0.58 0.71 0.00 1.05 -1.40 0.00 0.00 179.01 179.95 1gth h GLU 147 N 0.76 0.00 0.00 2.33 9.09 -1.95 -3.49 114.58 121.33 1gth h GLU 147 Ca 0.17 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.58 1gth h GLU 147 Cb 0.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.37 1gth h GLU 147 CO -0.00 0.00 0.00 0.41 0.05 0.00 0.00 179.01 179.47 1gth n GLY 148 N 0.13 -2.51 3.70 1.06 0.00 -0.79 -4.99 105.19 101.78 1gth n GLY 148 Ca 0.02 -1.61 -0.33 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.94 3.53 0.29 1.61 0.01 -1.21 -4.41 113.70 111.58 1gth s SER 149 Ca 0.00 2.29 -0.28 0.00 1.31 0.00 0.00 55.95 59.26 1gth s SER 149 Cb 0.00 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.56 1gth s SER 149 CO 0.00 -2.70 0.98 -0.63 0.41 0.00 0.00 173.24 171.30 1gth s ILE 150 N -2.31 3.98 -1.35 1.44 -1.09 -1.26 -4.95 121.20 115.66 1gth s ILE 150 Ca 0.71 1.84 -0.15 0.00 -2.23 0.00 0.00 60.65 60.82 1gth s ILE 150 Cb -0.26 -4.11 0.07 0.00 -1.58 0.00 0.00 42.46 36.58 1gth s ILE 150 CO 0.52 0.33 1.92 -3.20 -1.23 0.00 0.00 174.94 173.27 1gth n ASN 151 N 1.02 4.55 -0.17 3.58 5.15 -1.26 -4.77 115.26 123.36 1gth n ASN 151 Ca -0.00 -2.91 -0.07 0.00 -0.60 0.00 0.00 54.58 51.00 1gth n ASN 151 Cb 0.48 -1.68 0.02 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 1.12 -0.43 -1.44 2.04 -1.98 -2.51 117.51 119.03 1gth h ILE 152 Ca 0.48 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 66.11 1gth h ILE 152 Cb 0.76 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1gth h ILE 152 CO 1.62 0.12 0.28 1.23 0.00 0.00 0.00 178.15 181.41 1gth h GLY 153 N 0.68 0.62 1.35 5.37 0.00 -1.86 -0.86 103.07 108.37 1gth h GLY 153 Ca 0.19 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 1gth h GLY 153 CO -0.05 0.24 0.22 -1.33 0.00 0.00 0.00 176.54 175.62 1gth h GLY 154 N 0.58 0.90 1.16 4.60 0.00 -1.66 0.61 103.07 109.26 1gth h GLY 154 Ca 0.16 -0.46 -0.15 0.00 0.00 0.00 0.00 47.33 46.88 1gth h GLY 154 CO -0.03 0.43 -0.35 1.41 0.00 0.00 0.00 176.54 178.00 1gth h LEU 155 N 0.83 0.98 -0.79 3.11 3.38 -1.13 -0.47 115.31 121.22 1gth h LEU 155 Ca 0.20 -0.43 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 1gth h LEU 155 Cb 0.17 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1gth h LEU 155 CO -0.02 1.22 0.12 -0.61 0.09 0.00 0.00 178.44 179.24 1gth h GLN 156 N 0.77 1.03 -0.25 1.13 4.15 -0.67 -2.08 115.11 119.19 1gth h GLN 156 Ca 0.07 -0.26 -0.03 0.00 0.77 0.00 0.00 58.65 59.20 1gth h GLN 156 Cb 0.93 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.48 1gth h GLN 156 CO 0.09 0.94 0.04 0.37 -1.93 0.00 0.00 178.83 178.34 1gth h GLN 157 N 0.97 0.42 0.33 1.69 4.15 -0.72 -2.23 115.11 119.72 1gth h GLN 157 Ca 0.20 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.49 1gth h GLN 157 Cb 0.40 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.04 1gth h GLN 157 CO 0.01 0.55 -0.16 0.35 -1.93 0.00 0.00 178.83 177.64 1gth h PHE 158 N 0.23 -0.43 -0.67 3.99 3.57 -0.83 0.46 116.94 123.26 1gth h PHE 158 Ca 0.08 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.61 1gth h PHE 158 Cb 0.33 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.17 1gth h PHE 158 CO 0.02 -0.26 0.39 0.00 -2.23 0.00 0.00 178.31 176.23 1gth h ALA 159 N 0.21 0.89 -0.52 2.41 0.00 -1.43 -1.34 119.26 119.49 1gth h ALA 159 Ca -0.04 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1gth h ALA 159 Cb 0.35 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1gth h ALA 159 CO 0.07 0.11 0.02 0.77 0.00 0.00 0.00 179.25 180.23 1gth h SER 160 N 0.75 0.82 -0.38 0.00 0.02 -1.23 -1.44 113.55 112.09 1gth h SER 160 Ca 0.28 -0.20 -0.05 0.00 -0.84 0.00 0.00 61.79 60.99 1gth h SER 160 Cb 0.10 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1gth h SER 160 CO -0.14 0.87 0.06 -0.33 -1.14 0.00 0.00 176.83 176.15 1gth h GLU 161 N 0.80 0.63 -0.47 3.45 4.39 -0.32 0.19 114.58 123.25 1gth h GLU 161 Ca 0.16 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 1gth h GLU 161 Cb 0.45 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 1gth h GLU 161 CO 0.02 0.69 0.21 0.28 -1.16 0.00 0.00 179.01 179.05 1gth h VAL 162 N 0.48 1.20 -0.70 3.13 2.07 -1.09 -0.75 116.25 120.59 1gth h VAL 162 Ca 0.12 -0.58 0.02 0.00 0.82 0.00 0.00 66.70 67.07 1gth h VAL 162 Cb 0.37 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 1gth h VAL 162 CO 0.01 0.22 0.46 0.15 0.02 0.00 0.00 177.57 178.42 1gth h PHE 163 N 0.61 0.86 -0.81 1.57 3.57 -1.06 -1.45 116.94 120.24 1gth h PHE 163 Ca 0.16 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.72 1gth h PHE 163 Cb 0.15 -0.29 -0.05 0.00 2.79 0.00 0.00 35.95 38.55 1gth h PHE 163 CO -0.00 0.52 0.51 -0.22 -2.23 0.00 0.00 178.31 176.88 1gth h LYS 164 N 0.92 0.93 0.00 1.11 3.64 -0.51 -1.12 116.57 121.54 1gth h LYS 164 Ca 0.27 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1gth h LYS 164 Cb -0.06 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.55 1gth h LYS 164 CO -0.08 0.62 -0.03 0.00 -2.27 0.00 0.00 179.45 177.69 1gth h ALA 165 N 1.36 1.02 0.00 5.00 0.00 -0.28 -2.22 119.26 124.15 1gth h ALA 165 Ca 0.34 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1gth h ALA 165 Cb 0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1gth h ALA 165 CO -0.14 0.03 -0.00 0.52 0.00 0.00 0.00 179.25 179.66 1gth h MET 166 N 0.00 0.00 -6.10 0.00 2.86 -0.20 -3.47 114.93 108.02 1gth h MET 166 Ca -0.00 0.00 -0.41 0.00 -2.06 0.00 0.00 59.70 57.23 1gth h MET 166 Cb 0.43 0.00 0.07 0.00 0.06 0.00 0.00 31.60 32.17 1gth h MET 166 CO 0.00 0.00 -0.88 0.09 1.06 0.00 0.00 176.91 177.19 1gth n ASN 167 N -3.09 -3.06 -4.52 1.22 3.02 -0.84 -4.66 115.26 103.33 1gth n ASN 167 Ca 0.02 -0.89 -0.34 0.00 -0.03 0.00 0.00 54.58 53.34 1gth n ASN 167 Cb 0.38 -3.87 -0.12 0.00 -0.61 0.00 0.00 39.78 35.56 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 -3.60 3.85 0.60 2.41 1.01 -1.26 -1.59 121.20 122.61 1gth s ILE 168 Ca 0.21 -0.39 -0.06 0.00 0.00 0.00 0.00 60.65 60.41 1gth s ILE 168 Cb -0.06 -2.66 0.01 0.00 0.01 0.00 0.00 42.46 39.76 1gth s ILE 168 CO 0.83 0.52 0.91 -2.16 0.00 0.00 0.00 174.94 175.04 1gth s PRO 169 N 0.08 2.91 0.21 2.79 0.04 -1.26 -5.03 135.00 134.74 1gth s PRO 169 Ca -0.01 0.02 -0.11 0.00 0.04 0.00 0.00 61.00 60.94 1gth s PRO 169 Cb -0.14 -2.26 -0.07 0.00 0.04 0.00 0.00 34.50 32.08 1gth s PRO 169 CO 0.03 -0.73 0.56 -1.14 0.04 0.00 0.00 177.00 175.76 1gth s GLN 170 N -5.02 3.86 0.18 4.56 0.74 -1.26 -4.20 119.66 118.52 1gth s GLN 170 Ca 0.54 0.36 0.03 0.00 0.05 0.00 0.00 55.36 56.34 1gth s GLN 170 Cb -0.11 -2.70 -0.05 0.00 1.10 0.00 0.00 33.01 31.25 1gth s GLN 170 CO 0.45 0.35 -0.04 0.96 -0.55 0.00 0.00 175.29 176.46 1gth s ILE 171 N -1.74 0.99 0.69 -2.34 -4.36 -0.36 -4.67 121.20 109.41 1gth s ILE 171 Ca 0.45 -2.03 -0.11 0.00 -0.26 0.00 0.00 60.65 58.71 1gth s ILE 171 Cb -0.12 -2.07 0.00 0.00 1.25 0.00 0.00 42.46 41.52 1gth s ILE 171 CO 0.20 -0.54 1.06 0.00 0.24 0.00 0.00 174.94 175.90 1gth s ARG 172 N -3.83 3.00 -0.12 0.37 1.70 -1.26 -4.27 118.95 114.54 1gth s ARG 172 Ca 0.22 0.94 -0.37 0.00 -0.47 0.00 0.00 55.73 56.06 1gth s ARG 172 Cb 0.05 -2.00 -0.14 0.00 -0.57 0.00 0.00 34.95 32.29 1gth s ARG 172 CO 0.04 -1.05 1.76 -1.71 -1.08 0.00 0.00 175.30 173.26 1gth n ASN 173 N -3.09 2.88 0.00 -2.89 2.85 -1.26 -4.80 115.26 108.95 1gth n ASN 173 Ca 0.07 1.03 0.01 0.00 -0.11 0.00 0.00 54.58 55.58 1gth n ASN 173 Cb 0.54 -1.28 0.03 0.00 1.24 0.00 0.00 39.78 40.30 1gth n ASN 173 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1gth n PRO 174 N 5.54 0.00 0.11 1.20 -0.04 -1.26 -1.42 135.00 139.14 1gth n PRO 174 Ca 0.23 0.48 0.11 0.00 -0.04 0.00 0.00 63.50 64.28 1gth n PRO 174 Cb 0.22 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.20 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 -5.50 3.67 0.90 0.00 1.43 -0.50 -4.97 118.68 113.70 1gth s LEU 176 Ca 0.00 2.57 -0.11 0.00 -1.03 0.00 0.00 54.13 55.56 1gth s LEU 176 Cb 0.09 -4.53 0.14 0.00 0.03 0.00 0.00 46.19 41.91 1gth s LEU 176 CO 0.78 -1.76 1.11 -2.84 0.23 0.00 0.00 176.35 173.87 1gth s PRO 177 N -3.25 1.16 0.89 1.29 0.02 -1.26 -4.95 135.00 128.90 1gth s PRO 177 Ca 0.78 1.25 -0.10 0.00 0.02 0.00 0.00 61.00 62.95 1gth s PRO 177 Cb -0.36 -1.77 0.13 0.00 0.02 0.00 0.00 34.50 32.53 1gth s PRO 177 CO 0.39 -2.43 1.13 -1.54 -0.33 0.00 0.00 177.00 174.22 1gth s SER 178 N -2.97 3.17 0.24 2.53 1.04 -1.26 -4.79 113.70 111.65 1gth s SER 178 Ca 0.65 2.09 -0.05 0.00 0.48 0.00 0.00 55.95 59.12 1gth s SER 178 Cb -0.21 -2.55 0.39 0.00 0.10 0.00 0.00 66.02 63.75 1gth s SER 178 CO 0.58 -2.93 1.77 1.56 0.98 0.00 0.00 173.24 175.20 1gth h GLN 179 N -1.75 0.59 0.00 4.02 4.20 -1.98 -1.32 115.11 118.87 1gth h GLN 179 Ca -0.44 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.24 1gth h GLN 179 Cb 1.26 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.91 1gth h GLN 179 CO 0.44 0.39 0.00 0.93 -0.67 0.00 0.00 178.83 179.92 1gth h GLU 180 N 0.60 0.00 -0.29 1.46 3.07 -2.02 -2.72 114.58 114.69 1gth h GLU 180 Ca 0.38 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.24 1gth h GLU 180 Cb 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1gth h GLU 180 CO -0.30 0.00 0.00 1.63 -1.40 0.00 0.00 179.01 178.94 1gth n LYS 181 N -2.38 2.44 -2.56 2.33 5.02 -0.51 -4.94 118.16 117.56 1gth n LYS 181 Ca 0.02 -2.18 -0.40 0.00 -2.02 0.00 0.00 58.31 53.72 1gth n LYS 181 Cb 0.25 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.72 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 -1.62 4.69 0.84 1.97 -1.94 -1.03 -4.89 119.30 117.33 1gth s MET 182 Ca 0.35 1.70 -0.14 0.00 -1.71 0.00 0.00 55.69 55.90 1gth s MET 182 Cb 0.22 -3.23 0.04 0.00 2.01 0.00 0.00 34.83 33.87 1gth s MET 182 CO 0.31 0.27 0.74 -2.30 -0.01 0.00 0.00 175.02 174.03 1gth n PRO 183 N 1.46 0.01 -0.24 2.03 -0.02 -1.26 -4.86 135.00 132.11 1gth n PRO 183 Ca -0.01 0.06 0.11 0.00 -2.02 0.00 0.00 63.50 61.65 1gth n PRO 183 Cb 0.46 -2.07 0.38 0.00 -0.02 0.00 0.00 33.50 32.25 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 -1.04 0.67 -0.95 -0.52 4.81 -1.98 -2.44 114.58 113.13 1gth h GLU 184 Ca -0.45 -0.04 0.24 0.00 -0.13 0.00 0.00 59.36 58.98 1gth h GLU 184 Cb 1.31 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 30.47 1gth h GLU 184 CO 0.41 0.44 0.64 0.00 -0.73 0.00 0.00 179.01 179.78 1gth h ALA 185 N 1.60 2.45 0.00 2.92 0.00 -1.95 -0.63 119.26 123.65 1gth h ALA 185 Ca 0.41 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1gth h ALA 185 Cb 0.62 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1gth h ALA 185 CO -0.17 -0.76 0.00 0.66 0.00 0.00 0.00 179.25 178.98 1gth n TYR 186 N -4.45 0.00 0.33 0.00 4.02 -0.92 -2.37 117.16 113.77 1gth n TYR 186 Ca 0.21 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.22 1gth n TYR 186 Cb 0.85 -0.23 0.22 0.00 -0.02 0.00 0.00 39.34 40.16 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 -1.23 3.45 -4.70 7.72 3.41 -0.24 -1.60 113.62 120.43 1gth n SER 187 Ca 0.12 -1.99 -0.44 0.00 -0.26 0.00 0.00 58.87 56.30 1gth n SER 187 Cb 0.16 -0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 63.83 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 1.49 1.91 -2.09 7.33 0.00 -1.00 -4.67 120.51 123.48 1gth n ALA 188 Ca 0.19 0.42 -0.42 0.00 0.00 0.00 0.00 53.44 53.63 1gth n ALA 188 Cb 0.61 -2.40 -0.03 0.00 0.00 0.00 0.00 19.45 17.63 1gth n ALA 188 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1gth s LYS 189 N 0.50 4.20 -0.06 0.00 1.02 -1.26 -4.50 119.74 119.64 1gth s LYS 189 Ca 0.73 2.10 0.05 0.00 0.02 0.00 0.00 55.97 58.86 1gth s LYS 189 Cb -0.60 -3.87 -0.02 0.00 -0.52 0.00 0.00 37.83 32.82 1gth s LYS 189 CO 0.40 -0.78 -0.19 0.42 -0.92 0.00 0.00 175.35 174.28 1gth s ILE 190 N 3.65 2.63 -0.02 2.17 1.01 -0.43 -0.80 121.20 129.41 1gth s ILE 190 Ca 0.70 -0.87 0.06 0.00 0.00 0.00 0.00 60.65 60.54 1gth s ILE 190 Cb -0.32 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.13 1gth s ILE 190 CO 0.27 0.58 -0.21 0.00 0.00 0.00 0.00 174.94 175.58 1gth s ALA 191 N -0.43 1.76 -0.03 9.38 0.00 -0.62 -1.63 121.76 130.20 1gth s ALA 191 Ca 0.05 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.15 1gth s ALA 191 Cb -0.12 -0.47 -0.00 0.00 0.00 0.00 0.00 23.12 22.53 1gth s ALA 191 CO 0.02 0.41 -0.14 -0.51 0.00 0.00 0.00 175.76 175.54 1gth s LEU 192 N -0.42 1.89 -0.22 0.00 1.02 0.16 -0.81 118.68 120.30 1gth s LEU 192 Ca 0.06 -0.28 -0.07 0.00 0.02 0.00 0.00 54.13 53.86 1gth s LEU 192 Cb -0.09 -0.79 -0.04 0.00 0.02 0.00 0.00 46.19 45.30 1gth s LEU 192 CO -0.00 0.13 0.07 -0.76 0.02 0.00 0.00 176.35 175.81 1gth s LEU 193 N 0.01 3.62 0.00 1.79 2.01 0.01 -0.16 118.68 125.96 1gth s LEU 193 Ca -0.01 -0.07 0.00 0.00 0.01 0.00 0.00 54.13 54.05 1gth s LEU 193 Cb -0.09 -1.95 0.00 0.00 0.01 0.00 0.00 46.19 44.16 1gth s LEU 193 CO 0.01 0.06 0.00 0.61 1.01 0.00 0.00 176.35 178.04 1gth n GLY 194 N 4.30 -0.25 2.73 -3.19 0.00 0.18 -0.78 105.19 108.18 1gth n GLY 194 Ca -0.16 -1.15 -0.38 0.00 0.00 0.00 0.00 46.02 44.33 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 1.84 6.43 -3.32 4.61 0.00 -1.26 -4.46 120.51 124.35 1gth n ALA 195 Ca 0.00 -4.05 -0.14 0.00 0.00 0.00 0.00 53.44 49.24 1gth n ALA 195 Cb 0.00 -2.15 0.02 0.00 0.00 0.00 0.00 19.45 17.32 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 0.05 2.36 0.29 0.00 0.00 -1.26 -0.62 105.19 106.00 1gth n GLY 196 Ca 0.52 -2.21 0.09 0.00 0.00 0.00 0.00 46.02 44.42 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 0.35 -0.04 1.61 0.11 -1.93 -0.51 132.00 131.58 1gth h PRO 197 Ca -0.17 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.92 1gth h PRO 197 Cb 0.69 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.72 1gth h PRO 197 CO 0.25 0.23 0.02 0.00 -0.21 0.00 0.00 178.00 178.29 1gth h ALA 198 N 1.65 0.05 -0.38 -0.75 0.00 -1.90 -0.98 119.26 116.95 1gth h ALA 198 Ca 0.48 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 55.18 1gth h ALA 198 Cb 0.85 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1gth h ALA 198 CO -0.51 -0.40 -0.39 0.77 0.00 0.00 0.00 179.25 178.72 1gth h SER 199 N -0.03 1.00 -0.65 0.00 0.02 -1.68 -1.26 113.55 110.95 1gth h SER 199 Ca 0.01 -0.47 0.01 0.00 -0.84 0.00 0.00 61.79 60.50 1gth h SER 199 Cb 0.09 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 1gth h SER 199 CO -0.00 1.26 0.43 0.40 -1.14 0.00 0.00 176.83 177.78 1gth h ILE 200 N 0.75 1.15 -0.00 3.27 2.04 -1.06 0.19 117.51 123.85 1gth h ILE 200 Ca 0.06 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 1gth h ILE 200 Cb 0.99 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1gth h ILE 200 CO 0.10 0.16 0.00 -1.28 0.00 0.00 0.00 178.15 177.12 1gth h SER 201 N 0.86 0.00 -0.14 1.72 0.87 -1.09 -1.45 113.55 114.33 1gth h SER 201 Ca 0.24 -0.28 0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1gth h SER 201 Cb -0.08 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 1gth h SER 201 CO -0.06 0.28 0.01 0.00 -0.53 0.00 0.00 176.83 176.53 1gth h ALA 203 N 1.11 1.22 0.18 0.00 0.00 -0.64 -1.90 119.26 119.22 1gth h ALA 203 Ca 0.06 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1gth h ALA 203 Cb 0.07 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1gth h ALA 203 CO -0.10 0.62 -0.11 0.77 0.00 0.00 0.00 179.25 180.43 1gth h SER 204 N 1.15 -0.27 -0.43 0.00 0.02 -0.86 -0.46 113.55 112.70 1gth h SER 204 Ca 0.29 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.19 1gth h SER 204 Cb 0.05 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1gth h SER 204 CO -0.04 -0.18 0.05 -0.26 -1.14 0.00 0.00 176.83 175.25 1gth h PHE 205 N -0.28 0.85 -0.82 3.45 -1.00 -1.21 -0.43 116.94 117.50 1gth h PHE 205 Ca -0.02 -0.10 -0.04 0.00 2.81 0.00 0.00 57.97 60.62 1gth h PHE 205 Cb 0.24 -0.24 -0.04 0.00 3.61 0.00 0.00 35.95 39.52 1gth h PHE 205 CO -0.09 0.76 0.36 -0.07 -1.61 0.00 0.00 178.31 177.67 1gth h LEU 206 N 0.77 1.10 -0.89 1.54 3.38 -1.15 -1.29 115.31 118.76 1gth h LEU 206 Ca 0.16 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1gth h LEU 206 Cb 0.40 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1gth h LEU 206 CO 0.01 0.95 -0.08 0.00 0.09 0.00 0.00 178.44 179.41 1gth h ALA 207 N 1.20 1.07 -0.69 1.53 0.00 -0.55 -2.31 119.26 119.51 1gth h ALA 207 Ca 0.28 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1gth h ALA 207 Cb 0.17 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1gth h ALA 207 CO -0.03 0.57 0.34 0.00 0.00 0.00 0.00 179.25 180.13 1gth h ARG 208 N 0.67 0.97 0.00 0.00 3.08 -0.28 -1.68 114.38 117.13 1gth h ARG 208 Ca 0.12 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1gth h ARG 208 Cb 0.54 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1gth h ARG 208 CO 0.03 0.74 0.00 -0.07 -1.07 0.00 0.00 179.97 179.60 1gth h LEU 209 N 0.97 0.00 0.00 3.04 3.38 -0.72 -3.42 115.31 118.56 1gth h LEU 209 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1gth h LEU 209 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1gth h LEU 209 CO -0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.11 1gth n GLY 210 N -0.10 0.91 3.71 0.83 0.00 -0.63 -5.09 105.19 104.82 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 3.03 -2.06 1.61 1.51 -1.02 -4.86 117.35 113.56 1gth s TYR 211 Ca 0.00 0.78 0.19 0.00 -1.01 0.00 0.00 57.07 57.03 1gth s TYR 211 Cb 0.00 -3.76 0.29 0.00 -0.11 0.00 0.00 41.96 38.38 1gth s TYR 211 CO 0.00 -2.79 1.22 -1.13 -1.11 0.00 0.00 175.55 171.75 1gth n SER 212 N 4.43 2.95 -3.39 2.29 3.41 -0.63 -4.49 113.62 118.18 1gth n SER 212 Ca 0.13 -1.87 -0.26 0.00 -0.26 0.00 0.00 58.87 56.61 1gth n SER 212 Cb 0.42 -0.15 -0.09 0.00 -0.26 0.00 0.00 64.21 64.13 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 1.12 0.72 -4.33 4.04 -0.08 -1.26 -5.01 116.55 111.74 1gth n ASP 213 Ca 0.14 -2.72 -0.33 0.00 -1.51 0.00 0.00 54.79 50.37 1gth n ASP 213 Cb 0.50 -0.62 -0.15 0.00 2.34 0.00 0.00 41.12 43.19 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 -0.88 2.98 -0.04 5.18 1.01 -1.26 -1.31 121.20 126.87 1gth s ILE 214 Ca 0.33 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 60.33 1gth s ILE 214 Cb 0.09 -2.26 0.01 0.00 0.01 0.00 0.00 42.46 40.30 1gth s ILE 214 CO -0.14 0.51 -0.10 -0.89 0.00 0.00 0.00 174.94 174.32 1gth s THR 215 N 0.60 0.91 -0.20 2.92 2.01 -0.64 -1.00 115.64 120.23 1gth s THR 215 Ca -0.07 -0.39 -0.06 0.00 0.31 0.00 0.00 61.69 61.48 1gth s THR 215 Cb -0.16 -0.83 -0.03 0.00 0.01 0.00 0.00 72.50 71.49 1gth s THR 215 CO 0.03 0.29 0.02 -0.63 -0.69 0.00 0.00 174.62 173.64 1gth s ILE 216 N 0.47 4.17 -0.29 1.82 1.01 0.85 -0.67 121.20 128.57 1gth s ILE 216 Ca -0.09 -0.24 -0.10 0.00 0.00 0.00 0.00 60.65 60.23 1gth s ILE 216 Cb -0.12 -2.89 -0.02 0.00 0.01 0.00 0.00 42.46 39.43 1gth s ILE 216 CO 0.02 0.42 0.15 -0.36 0.00 0.00 0.00 174.94 175.17 1gth s PHE 217 N 0.92 3.17 -0.14 3.97 0.40 0.77 -0.77 117.98 126.30 1gth s PHE 217 Ca 0.02 -0.33 -0.02 0.00 -0.60 0.00 0.00 56.93 56.00 1gth s PHE 217 Cb -0.14 -2.34 -0.02 0.00 0.51 0.00 0.00 43.02 41.02 1gth s PHE 217 CO 0.02 -0.35 -0.08 -2.00 0.70 0.00 0.00 175.22 173.51 1gth s GLU 218 N 1.66 3.51 0.07 0.44 2.56 -0.22 -0.64 118.70 126.07 1gth s GLU 218 Ca 0.06 -0.60 -0.27 0.00 0.00 0.00 0.00 54.97 54.16 1gth s GLU 218 Cb -0.16 -2.77 -0.17 0.00 2.00 0.00 0.00 34.13 33.03 1gth s GLU 218 CO 0.07 0.24 1.63 -0.22 -0.56 0.00 0.00 175.26 176.42 1gth h LYS 219 N 6.66 -0.38 -7.56 4.30 3.64 -1.74 0.12 116.57 121.60 1gth h LYS 219 Ca -0.29 0.03 -0.43 0.00 -1.27 0.00 0.00 60.65 58.69 1gth h LYS 219 Cb 1.20 0.09 0.18 0.00 -0.41 0.00 0.00 32.23 33.29 1gth h LYS 219 CO 0.59 -0.22 0.25 -0.65 -2.27 0.00 0.00 179.45 177.15 1gth s GLN 220 N -5.91 -0.49 0.01 1.90 -1.52 -1.26 -3.15 119.66 109.24 1gth s GLN 220 Ca -0.15 -0.20 0.24 0.00 -1.95 0.00 0.00 55.36 53.30 1gth s GLN 220 Cb 0.04 -1.69 0.25 0.00 -0.22 0.00 0.00 33.01 31.39 1gth s GLN 220 CO 0.63 -3.20 1.22 -0.85 -0.25 0.00 0.00 175.29 172.84 1gth n GLU 221 N -4.37 0.07 -4.09 2.91 0.28 -1.26 -2.70 120.64 111.48 1gth n GLU 221 Ca 0.14 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.92 1gth n GLU 221 Cb 0.59 -1.53 -0.04 0.00 1.43 0.00 0.00 31.44 31.90 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 -3.04 3.07 0.28 -1.84 -0.85 -1.26 -4.96 117.35 108.75 1gth s TYR 222 Ca 0.09 -0.14 0.10 0.00 -0.52 0.00 0.00 57.07 56.60 1gth s TYR 222 Cb 0.16 -1.44 -0.05 0.00 0.38 0.00 0.00 41.96 41.01 1gth s TYR 222 CO 0.76 0.49 -0.15 0.14 -1.52 0.00 0.00 175.55 175.26 1gth s VAL 223 N -2.16 2.24 0.00 -3.49 -7.23 -1.26 -4.82 120.40 103.68 1gth s VAL 223 Ca 0.34 -2.31 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 1gth s VAL 223 Cb -0.08 -2.36 0.00 0.00 0.56 0.00 0.00 36.38 34.51 1gth s VAL 223 CO 0.25 -0.37 0.00 0.61 -0.31 0.00 0.00 175.10 175.27 1gth n GLY 224 N -0.62 0.94 7.00 2.32 0.00 0.20 -4.69 105.19 110.34 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 1.69 0.32 -0.02 0.00 -1.06 -2.70 105.19 102.70 1gth n GLY 225 Ca 0.00 -0.56 0.16 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 -1.90 0.99 3.38 -1.96 0.76 115.31 116.58 1gth h LEU 226 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1gth h LEU 226 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1gth h LEU 226 CO 0.00 0.00 -0.08 0.28 0.09 0.00 0.00 178.44 178.73 1gth h SER 227 N 0.00 0.00 0.00 -0.43 0.02 -1.89 -1.31 113.55 109.94 1gth h SER 227 Ca 0.05 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.60 1gth h SER 227 Cb 0.27 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.75 1gth h SER 227 CO -0.00 0.08 -2.16 0.41 -1.14 0.00 0.00 176.83 174.02 1gth n THR 228 N -4.34 1.53 0.23 -2.27 -1.04 0.09 -4.34 114.28 104.15 1gth n THR 228 Ca -0.03 -0.28 0.13 0.00 -2.04 0.00 0.00 64.05 61.84 1gth n THR 228 Cb 0.16 -1.93 0.33 0.00 -1.82 0.00 0.00 70.33 67.06 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 -1.12 -3.42 113.55 120.65 1gth h SER 229 Ca -0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 1gth h SER 229 Cb 1.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.61 1gth h SER 229 CO -0.36 0.04 -0.29 -0.62 -0.87 0.00 0.00 176.83 174.73 1gth n GLU 230 N -3.12 0.56 -1.88 4.77 1.02 -0.64 -2.68 120.64 118.67 1gth n GLU 230 Ca 0.03 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.75 1gth n GLU 230 Cb 0.47 -0.64 -0.03 0.00 -0.02 0.00 0.00 31.44 31.22 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 -1.29 3.01 0.39 -3.67 1.01 -0.59 -4.90 121.20 115.16 1gth s ILE 231 Ca 0.00 0.41 -0.25 0.00 0.00 0.00 0.00 60.65 60.80 1gth s ILE 231 Cb 0.00 -3.26 -0.11 0.00 0.01 0.00 0.00 42.46 39.10 1gth s ILE 231 CO 0.00 -0.01 1.10 -2.65 0.00 0.00 0.00 174.94 173.38 1gth n PRO 232 N 5.88 1.56 0.26 2.79 -0.02 -1.26 -4.73 135.00 139.48 1gth n PRO 232 Ca 0.17 0.55 0.09 0.00 -2.02 0.00 0.00 63.50 62.29 1gth n PRO 232 Cb 0.40 -2.12 0.66 0.00 -0.02 0.00 0.00 33.50 32.43 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 1.83 0.00 0.00 -0.52 5.75 -1.91 0.81 115.11 121.07 1gth h GLN 233 Ca -0.45 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.05 1gth h GLN 233 Cb 1.32 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.87 1gth h GLN 233 CO 0.59 0.01 0.00 1.97 -2.65 0.00 0.00 178.83 178.75 1gth n PHE 234 N -4.44 0.00 0.00 3.99 1.16 -1.25 -3.33 117.46 113.60 1gth n PHE 234 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.55 1gth n PHE 234 Cb 0.10 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.97 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 -0.85 0.10 -3.64 3.97 1.74 -0.28 -1.86 116.66 115.85 1gth n ARG 235 Ca 0.14 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.93 1gth n ARG 235 Cb 0.06 -0.94 -0.15 0.00 -1.02 0.00 0.00 32.46 30.42 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 -4.72 1.44 0.30 0.55 2.96 0.12 -4.79 118.68 114.54 1gth s LEU 236 Ca 0.00 -1.49 -0.30 0.00 -0.22 0.00 0.00 54.13 52.12 1gth s LEU 236 Cb 0.00 -0.62 -0.11 0.00 0.50 0.00 0.00 46.19 45.96 1gth s LEU 236 CO 0.00 -0.42 1.58 -2.84 -1.32 0.00 0.00 176.35 173.34 1gth s PRO 237 N 1.82 4.13 0.43 0.98 0.02 -1.21 -4.25 135.00 136.91 1gth s PRO 237 Ca 0.10 2.57 0.13 0.00 0.02 0.00 0.00 61.00 63.82 1gth s PRO 237 Cb -0.17 -3.02 1.02 0.00 0.02 0.00 0.00 34.50 32.35 1gth s PRO 237 CO -0.30 -0.61 1.99 -0.92 -0.33 0.00 0.00 177.00 176.82 1gth h TYR 238 N 4.62 0.44 0.00 6.54 3.20 -1.91 -1.22 116.97 128.65 1gth h TYR 238 Ca -0.47 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.41 1gth h TYR 238 Cb 1.22 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.35 1gth h TYR 238 CO 0.58 0.22 0.00 -0.40 -1.64 0.00 0.00 178.16 176.92 1gth n ASP 239 N -4.47 0.33 -0.05 -2.11 5.68 -1.26 -1.18 116.55 113.49 1gth n ASP 239 Ca 0.09 0.61 -0.14 0.00 -0.50 0.00 0.00 54.79 54.85 1gth n ASP 239 Cb 0.35 -0.67 -0.07 0.00 -1.14 0.00 0.00 41.12 39.58 1gth n ASP 239 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 1gth h VAL 240 N 0.00 1.36 -0.45 2.12 2.07 -1.58 -2.09 116.25 117.68 1gth h VAL 240 Ca 0.00 -1.49 -0.01 0.00 0.82 0.00 0.00 66.70 66.02 1gth h VAL 240 Cb 0.17 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 1gth h VAL 240 CO 0.00 0.44 0.24 0.58 0.02 0.00 0.00 177.57 178.85 1gth h VAL 241 N 0.03 1.17 -0.75 2.57 2.07 -1.25 -2.44 116.25 117.64 1gth h VAL 241 Ca 0.01 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1gth h VAL 241 Cb 0.83 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1gth h VAL 241 CO 0.06 0.18 0.44 -1.13 0.02 0.00 0.00 177.57 177.13 1gth h ASN 242 N 0.58 0.90 -0.15 0.57 -0.73 -1.41 -1.20 115.58 114.14 1gth h ASN 242 Ca 0.16 -0.06 -0.00 0.00 1.87 0.00 0.00 56.30 58.27 1gth h ASN 242 Cb 0.07 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.43 1gth h ASN 242 CO -0.02 0.70 0.09 0.15 -0.37 0.00 0.00 177.43 177.98 1gth h PHE 243 N 1.03 0.19 -0.07 0.67 3.57 -0.97 -1.15 116.94 120.22 1gth h PHE 243 Ca 0.27 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.66 1gth h PHE 243 Cb -0.02 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 1gth h PHE 243 CO 0.00 0.15 -0.46 0.93 -2.23 0.00 0.00 178.31 176.70 1gth h GLU 244 N 0.17 0.16 -0.37 1.11 5.08 -1.15 -1.99 114.58 117.59 1gth h GLU 244 Ca 0.05 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 1gth h GLU 244 Cb 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1gth h GLU 244 CO -0.01 0.60 -0.07 0.82 -1.00 0.00 0.00 179.01 179.35 1gth h ILE 245 N 0.13 1.27 -0.38 3.13 1.08 -0.99 -2.61 117.51 119.15 1gth h ILE 245 Ca 0.01 -1.12 -0.07 0.00 -0.39 0.00 0.00 64.86 63.28 1gth h ILE 245 Cb 0.87 1.25 -0.02 0.00 -3.07 0.00 0.00 36.82 35.86 1gth h ILE 245 CO 0.07 0.37 -0.06 -0.33 -0.69 0.00 0.00 178.15 177.51 1gth h GLU 246 N 0.50 0.63 -0.76 2.37 4.39 -1.02 -1.40 114.58 119.28 1gth h GLU 246 Ca 0.10 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 1gth h GLU 246 Cb 0.57 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.11 1gth h GLU 246 CO 0.03 0.69 0.44 -0.07 -1.16 0.00 0.00 179.01 178.94 1gth h LEU 247 N 0.59 0.94 -0.49 1.33 3.38 -1.22 -1.51 115.31 118.32 1gth h LEU 247 Ca 0.11 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1gth h LEU 247 Cb 0.46 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1gth h LEU 247 CO 0.02 0.75 0.19 -0.03 0.09 0.00 0.00 178.44 179.47 1gth h MET 248 N 1.05 0.73 0.00 1.13 4.05 -1.05 -2.39 114.93 118.46 1gth h MET 248 Ca 0.27 -0.14 -0.00 0.00 -0.28 0.00 0.00 59.70 59.55 1gth h MET 248 Cb 0.01 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 30.69 1gth h MET 248 CO -0.05 0.66 -0.02 0.87 0.23 0.00 0.00 176.91 178.60 1gth h LYS 249 N 0.65 0.00 0.00 0.39 1.57 -0.68 -0.94 116.57 117.56 1gth h LYS 249 Ca 0.16 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1gth h LYS 249 Cb 0.20 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1gth h LYS 249 CO -0.01 0.02 -0.02 -0.44 -0.57 0.00 0.00 179.45 178.42 1gth h ASP 250 N 0.00 0.00 -0.52 0.86 3.32 -0.75 -0.54 116.42 118.79 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 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1gth h ASP 250 CO 0.00 0.02 0.00 0.18 -1.72 0.00 0.00 179.24 177.72 1gth n LEU 251 N -3.23 2.85 0.00 1.55 4.77 -0.36 -4.85 117.00 117.73 1gth n LEU 251 Ca -0.02 -1.41 0.00 0.00 -0.03 0.00 0.00 56.01 54.55 1gth n LEU 251 Cb 0.16 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1gth n LEU 251 CO 0.24 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 1gth n GLY 252 N 1.35 0.99 3.75 -0.72 0.00 -0.21 -4.94 105.19 105.41 1gth n GLY 252 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 0.99 -4.16 1.61 0.31 -1.25 -4.75 118.33 109.07 1gth n VAL 253 Ca 0.00 -0.25 -0.34 0.00 -0.01 0.00 0.00 64.34 63.75 1gth n VAL 253 Cb 0.00 -1.99 -0.08 0.00 -0.91 0.00 0.00 33.84 30.86 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 -0.45 3.06 -0.09 5.55 1.02 -0.17 -4.60 119.74 124.05 1gth s LYS 254 Ca 0.64 -0.44 0.02 0.00 0.02 0.00 0.00 55.97 56.21 1gth s LYS 254 Cb -0.49 -2.86 0.02 0.00 -0.52 0.00 0.00 37.83 33.98 1gth s LYS 254 CO 0.48 0.67 -0.13 0.42 -0.92 0.00 0.00 175.35 175.87 1gth s ILE 255 N -1.09 1.29 -0.22 2.17 1.01 -1.26 -0.10 121.20 122.99 1gth s ILE 255 Ca 0.19 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.33 1gth s ILE 255 Cb -0.12 -1.19 0.05 0.00 0.01 0.00 0.00 42.46 41.21 1gth s ILE 255 CO 0.10 0.40 -0.13 -0.63 0.00 0.00 0.00 174.94 174.67 1gth s ILE 256 N 0.94 1.99 0.54 2.92 1.01 0.05 -4.96 121.20 123.70 1gth s ILE 256 Ca -0.09 -1.29 -0.03 0.00 0.00 0.00 0.00 60.65 59.24 1gth s ILE 256 Cb -0.15 -2.02 0.01 0.00 0.01 0.00 0.00 42.46 40.31 1gth s ILE 256 CO -0.00 0.16 0.81 0.00 0.00 0.00 0.00 174.94 175.91 1gth n GLY 258 N -2.39 0.47 3.22 0.00 0.00 0.32 -4.87 105.19 101.93 1gth n GLY 258 Ca 0.04 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 1gth n GLY 258 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gth s LYS 259 N -0.48 3.17 0.08 1.61 -0.14 -0.70 -4.95 119.74 118.33 1gth s LYS 259 Ca 0.00 -0.74 0.07 0.00 -1.36 0.00 0.00 55.97 53.94 1gth s LYS 259 Cb 0.00 -2.73 -0.04 0.00 -1.68 0.00 0.00 37.83 33.38 1gth s LYS 259 CO 0.00 -0.15 -0.15 0.45 -0.76 0.00 0.00 175.35 174.73 1gth s SER 260 N 1.25 4.04 -0.74 2.83 0.15 -1.26 -2.15 113.70 117.81 1gth s SER 260 Ca 0.03 -0.43 -0.24 0.00 0.70 0.00 0.00 55.95 56.00 1gth s SER 260 Cb -0.14 -0.68 0.05 0.00 -1.71 0.00 0.00 66.02 63.54 1gth s SER 260 CO -0.07 0.22 1.16 -0.22 1.20 0.00 0.00 173.24 175.52 1gth s LEU 261 N -1.83 3.80 0.05 3.45 2.96 -1.26 -2.24 118.68 123.61 1gth s LEU 261 Ca 0.17 -0.84 -0.23 0.00 -0.22 0.00 0.00 54.13 53.01 1gth s LEU 261 Cb -0.11 -2.49 0.06 0.00 0.50 0.00 0.00 46.19 44.14 1gth s LEU 261 CO 0.09 -1.61 0.54 -0.55 -1.32 0.00 0.00 176.35 173.50 1gth s SER 262 N 3.81 -0.47 0.63 3.68 0.15 -0.30 -4.57 113.70 116.62 1gth s SER 262 Ca 0.30 0.19 0.24 0.00 0.70 0.00 0.00 55.95 57.38 1gth s SER 262 Cb -0.11 0.51 1.13 0.00 -1.71 0.00 0.00 66.02 65.84 1gth s SER 262 CO 0.10 -0.75 1.60 -0.08 1.20 0.00 0.00 173.24 175.31 1gth h GLU 263 N 2.69 0.00 0.00 5.44 4.81 -0.84 0.74 114.58 127.41 1gth h GLU 263 Ca -0.31 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.75 1gth h GLU 263 Cb 1.22 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.57 1gth h GLU 263 CO 0.41 0.00 -1.53 0.09 -0.73 0.00 0.00 179.01 177.25 1gth n ASN 264 N -3.18 0.73 0.00 1.04 3.02 -1.26 -4.93 115.26 110.67 1gth n ASN 264 Ca 0.08 0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.95 1gth n ASN 264 Cb 0.86 0.37 0.00 0.00 -0.61 0.00 0.00 39.78 40.40 1gth n ASN 264 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1gth n GLU 265 N -2.83 0.00 -3.07 3.52 1.02 0.25 -5.09 120.64 114.44 1gth n GLU 265 Ca -0.11 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.63 1gth n GLU 265 Cb 0.84 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 32.21 1gth n GLU 265 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1gth s ILE 266 N 1.24 5.02 0.22 -3.67 1.01 -0.95 -4.82 121.20 119.25 1gth s ILE 266 Ca 0.00 1.41 0.00 0.00 0.00 0.00 0.00 60.65 62.07 1gth s ILE 266 Cb 0.00 -4.02 -0.05 0.00 0.01 0.00 0.00 42.46 38.40 1gth s ILE 266 CO 0.00 0.28 0.10 0.42 0.00 0.00 0.00 174.94 175.73 1gth s THR 267 N 0.65 0.35 0.36 2.92 -4.23 -1.26 -1.15 115.64 113.27 1gth s THR 267 Ca 0.36 -1.99 0.06 0.00 -1.18 0.00 0.00 61.69 58.94 1gth s THR 267 Cb -0.18 -2.51 0.19 0.00 1.34 0.00 0.00 72.50 71.34 1gth s THR 267 CO 0.18 -0.07 1.93 -0.07 -0.54 0.00 0.00 174.62 176.05 1gth h LEU 268 N 2.52 0.45 -0.31 4.79 3.38 -1.61 -1.82 115.31 122.70 1gth h LEU 268 Ca -0.37 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.43 1gth h LEU 268 Cb 1.24 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1gth h LEU 268 CO 0.58 0.48 -0.21 0.78 0.09 0.00 0.00 178.44 180.16 1gth h ASN 269 N 0.48 0.73 -0.53 -0.43 2.35 -1.83 -0.77 115.58 115.58 1gth h ASN 269 Ca 0.11 -0.43 -0.09 0.00 -0.55 0.00 0.00 56.30 55.34 1gth h ASN 269 Cb 0.23 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 1gth h ASN 269 CO 0.00 1.00 -0.01 0.71 -1.65 0.00 0.00 177.43 177.48 1gth h THR 270 N 0.46 1.26 -0.44 2.81 1.35 -1.86 -0.06 112.91 116.43 1gth h THR 270 Ca 0.06 -1.13 -0.04 0.00 -0.55 0.00 0.00 66.41 64.75 1gth h THR 270 Cb 0.76 0.84 -0.02 0.00 -1.73 0.00 0.00 68.15 68.00 1gth h THR 270 CO 0.06 0.41 0.12 -0.07 -0.25 0.00 0.00 175.52 175.79 1gth h LEU 271 N 0.90 0.65 -0.80 3.87 3.38 -1.28 -0.64 115.31 121.38 1gth h LEU 271 Ca 0.16 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1gth h LEU 271 Cb 0.54 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1gth h LEU 271 CO 0.03 0.70 0.24 0.50 0.09 0.00 0.00 178.44 180.00 1gth h LYS 272 N 0.57 1.14 0.00 1.13 3.64 -0.85 -2.08 116.57 120.11 1gth h LYS 272 Ca 0.14 -0.23 -0.05 0.00 -1.27 0.00 0.00 60.65 59.23 1gth h LYS 272 Cb 0.29 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1gth h LYS 272 CO -0.00 0.96 -0.25 0.93 -2.27 0.00 0.00 179.45 178.81 1gth h GLU 273 N 1.09 0.00 -0.00 1.90 5.08 -0.77 -2.74 114.58 119.14 1gth h GLU 273 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1gth h GLU 273 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1gth h GLU 273 CO -0.01 0.25 -0.07 0.39 -1.00 0.00 0.00 179.01 178.58 1gth n GLU 274 N -3.45 0.80 0.00 2.33 1.02 -0.27 -4.92 120.64 116.15 1gth n GLU 274 Ca -0.00 -0.23 0.00 0.00 -0.02 0.00 0.00 57.16 56.91 1gth n GLU 274 Cb 0.43 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 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 1.22 0.43 3.75 0.62 0.00 -1.03 -5.07 105.19 105.11 1gth n GLY 275 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 2.83 -0.17 1.61 1.51 -0.84 -4.60 117.35 115.69 1gth s TYR 276 Ca 0.00 0.83 0.22 0.00 -1.01 0.00 0.00 57.07 57.11 1gth s TYR 276 Cb 0.00 -4.00 -0.13 0.00 -0.11 0.00 0.00 41.96 37.72 1gth s TYR 276 CO 0.00 -3.37 0.82 1.63 -1.11 0.00 0.00 175.55 173.52 1gth n LYS 277 N 2.32 0.61 -3.64 -0.62 4.76 0.02 -4.60 118.16 117.02 1gth n LYS 277 Ca 0.08 -0.01 -0.16 0.00 -2.87 0.00 0.00 58.31 55.36 1gth n LYS 277 Cb 0.38 -1.70 -0.07 0.00 -1.84 0.00 0.00 35.03 31.80 1gth n LYS 277 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1gth s ALA 278 N -3.42 -1.27 0.00 7.82 0.00 -1.23 -4.81 121.76 118.86 1gth s ALA 278 Ca -0.03 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.73 1gth s ALA 278 Cb 0.11 0.05 -0.00 0.00 0.00 0.00 0.00 23.12 23.28 1gth s ALA 278 CO 0.84 -0.32 -0.02 0.00 0.00 0.00 0.00 175.76 176.26 1gth s ALA 279 N -1.31 0.14 -0.12 0.00 0.00 -0.18 -1.59 121.76 118.70 1gth s ALA 279 Ca -0.12 -0.16 0.03 0.00 0.00 0.00 0.00 51.96 51.71 1gth s ALA 279 Cb -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.09 1gth s ALA 279 CO 0.07 0.00 -0.22 0.12 0.00 0.00 0.00 175.76 175.73 1gth s PHE 280 N -0.28 2.63 -0.37 0.00 5.36 0.01 -0.23 117.98 125.10 1gth s PHE 280 Ca -0.02 -1.16 -0.15 0.00 -0.96 0.00 0.00 56.93 54.64 1gth s PHE 280 Cb -0.02 -1.77 -0.00 0.00 -0.34 0.00 0.00 43.02 40.88 1gth s PHE 280 CO -0.00 -0.50 0.34 0.42 -1.46 0.00 0.00 175.22 174.02 1gth s ILE 281 N 0.57 5.19 -0.34 3.12 -1.09 0.18 -0.81 121.20 128.03 1gth s ILE 281 Ca -0.13 -0.19 0.16 0.00 -2.23 0.00 0.00 60.65 58.27 1gth s ILE 281 Cb -0.17 -3.85 0.45 0.00 -1.58 0.00 0.00 42.46 37.31 1gth s ILE 281 CO 0.04 -0.17 0.96 0.61 -1.23 0.00 0.00 174.94 175.15 1gth n GLY 282 N 5.05 2.17 0.31 6.18 0.00 0.04 -2.11 105.19 116.82 1gth n GLY 282 Ca -0.10 -1.50 0.14 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.10 0.00 -4.89 -0.61 -5.35 -1.16 -4.31 119.36 102.95 1gth n ILE 283 Ca 0.13 -0.16 0.00 0.00 -0.27 0.00 0.00 62.75 62.45 1gth n ILE 283 Cb 0.79 0.30 0.00 0.00 -1.74 0.00 0.00 39.64 38.99 1gth n ILE 283 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1gth n GLY 284 N 1.24 0.84 3.03 3.28 0.00 -1.26 -4.15 105.19 108.17 1gth n GLY 284 Ca 0.16 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 1gth n GLY 284 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gth s LEU 285 N 0.00 5.15 0.26 0.99 1.43 -1.26 -4.10 118.68 121.14 1gth s LEU 285 Ca 0.00 -3.50 0.18 0.00 -1.03 0.00 0.00 54.13 49.79 1gth s LEU 285 Cb 0.00 -1.79 0.95 0.00 0.03 0.00 0.00 46.19 45.38 1gth s LEU 285 CO 0.00 -0.20 1.56 -0.81 0.23 0.00 0.00 176.35 177.13 1gth n PRO 286 N 2.56 0.12 -4.70 1.29 -0.04 -1.24 -4.25 135.00 128.75 1gth n PRO 286 Ca 0.16 0.58 -0.31 0.00 -0.04 0.00 0.00 63.50 63.90 1gth n PRO 286 Cb 0.36 -1.87 -0.13 0.00 -0.04 0.00 0.00 33.50 31.82 1gth n PRO 286 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1gth s GLU 287 N -3.42 1.98 0.41 0.54 2.02 -0.51 -4.97 118.70 114.75 1gth s GLU 287 Ca -0.01 -1.03 -0.24 0.00 0.02 0.00 0.00 54.97 53.71 1gth s GLU 287 Cb 0.06 -2.13 -0.09 0.00 0.10 0.00 0.00 34.13 32.07 1gth s GLU 287 CO 0.19 0.53 1.09 -1.25 0.02 0.00 0.00 175.26 175.85 1gth s PRO 288 N -1.43 4.07 -0.22 0.39 0.04 -1.26 0.98 135.00 137.56 1gth s PRO 288 Ca 0.14 1.63 -0.29 0.00 0.04 0.00 0.00 61.00 62.51 1gth s PRO 288 Cb -0.10 -2.55 -0.00 0.00 0.04 0.00 0.00 34.50 31.89 1gth s PRO 288 CO 0.05 -0.25 1.22 0.21 0.04 0.00 0.00 177.00 178.27 1gth s LYS 289 N -2.49 4.14 0.48 4.56 2.20 -0.26 -4.65 119.74 123.73 1gth s LYS 289 Ca 0.59 1.46 0.04 0.00 -0.36 0.00 0.00 55.97 57.70 1gth s LYS 289 Cb -0.25 -3.77 0.02 0.00 -1.51 0.00 0.00 37.83 32.32 1gth s LYS 289 CO 0.31 -0.82 0.67 0.95 -0.36 0.00 0.00 175.35 176.11 1gth s THR 290 N 3.69 2.91 -0.06 3.43 -4.23 -1.26 -4.62 115.64 115.50 1gth s THR 290 Ca 0.52 -0.81 -0.05 0.00 -1.18 0.00 0.00 61.69 60.17 1gth s THR 290 Cb -0.18 -3.03 0.02 0.00 1.34 0.00 0.00 72.50 70.64 1gth s THR 290 CO 0.15 -0.02 0.16 -0.62 -0.54 0.00 0.00 174.62 173.75 1gth s ASP 291 N -4.38 -0.16 0.29 3.99 -1.08 -1.26 -5.06 116.67 109.01 1gth s ASP 291 Ca 0.56 0.32 0.03 0.00 -0.52 0.00 0.00 52.55 52.94 1gth s ASP 291 Cb -0.10 0.31 0.71 0.00 -1.46 0.00 0.00 42.92 42.38 1gth s ASP 291 CO 0.36 -0.06 1.72 -0.78 0.52 0.00 0.00 175.17 176.92 1gth h ASP 292 N 6.01 0.43 0.00 -0.34 3.58 -2.01 -1.49 116.42 122.60 1gth h ASP 292 Ca -0.27 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.32 1gth h ASP 292 Cb 1.19 0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.33 1gth h ASP 292 CO 0.41 0.07 0.03 2.30 -2.88 0.00 0.00 179.24 179.17 1gth n ILE 293 N -4.98 1.72 0.22 2.25 -5.35 -1.26 -0.89 119.36 111.07 1gth n ILE 293 Ca 0.22 0.54 0.09 0.00 -0.27 0.00 0.00 62.75 63.32 1gth n ILE 293 Cb 0.62 -1.54 0.16 0.00 -1.74 0.00 0.00 39.64 37.13 1gth n ILE 293 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1gth n PHE 294 N -1.60 0.37 -1.65 4.28 0.99 -0.56 -4.54 117.46 114.75 1gth n PHE 294 Ca -0.00 -0.25 -0.49 0.00 -0.00 0.00 0.00 57.45 56.71 1gth n PHE 294 Cb 0.04 -0.01 -0.05 0.00 -1.00 0.00 0.00 39.48 38.46 1gth n PHE 294 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.76 177.70 1gth n GLN 295 N 1.03 1.82 0.00 -1.08 -0.06 -0.07 -1.63 117.38 117.40 1gth n GLN 295 Ca 0.14 0.66 0.00 0.00 -2.00 0.00 0.00 57.00 55.80 1gth n GLN 295 Cb 0.48 -2.40 0.00 0.00 -4.06 0.00 0.00 30.24 24.26 1gth n GLN 295 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1gth n GLY 296 N 3.31 3.04 3.75 1.69 0.00 -1.26 -5.01 105.19 110.70 1gth n GLY 296 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 4.38 0.46 0.99 1.43 -0.64 -5.02 118.68 120.28 1gth s LEU 297 Ca 0.00 2.72 0.04 0.00 -1.03 0.00 0.00 54.13 55.86 1gth s LEU 297 Cb 0.00 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.55 1gth s LEU 297 CO 0.00 -0.73 0.01 0.42 0.23 0.00 0.00 176.35 176.28 1gth s THR 298 N -0.14 1.57 0.23 5.49 -4.23 -1.26 -4.94 115.64 112.37 1gth s THR 298 Ca 0.59 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.06 1gth s THR 298 Cb -0.43 -2.58 0.06 0.00 1.34 0.00 0.00 72.50 70.89 1gth s THR 298 CO 0.45 0.00 1.67 1.56 -0.54 0.00 0.00 174.62 177.76 1gth h GLN 299 N 1.56 0.76 -0.70 3.99 4.20 -1.93 -1.10 115.11 121.89 1gth h GLN 299 Ca -0.44 -0.28 0.14 0.00 0.06 0.00 0.00 58.65 58.13 1gth h GLN 299 Cb 1.28 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.96 1gth h GLN 299 CO 0.78 0.88 0.47 -0.44 -0.67 0.00 0.00 178.83 179.85 1gth h ASP 300 N 0.67 0.36 1.59 1.46 3.32 -1.93 0.45 116.42 122.35 1gth h ASP 300 Ca 0.10 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1gth h ASP 300 Cb 0.66 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1gth h ASP 300 CO 0.05 0.19 -0.21 1.56 -1.72 0.00 0.00 179.24 179.11 1gth h GLN 301 N 0.39 0.00 0.00 3.56 4.20 -1.62 -3.44 115.11 118.19 1gth h GLN 301 Ca 0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.05 1gth h GLN 301 Cb 0.79 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.57 1gth h GLN 301 CO -0.10 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.47 1gth n GLY 302 N 1.19 1.40 3.79 3.46 0.00 0.16 -0.46 105.19 114.73 1gth n GLY 302 Ca 0.04 0.00 -0.36 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 3.40 0.07 1.61 5.36 -0.44 -0.82 117.98 125.16 1gth s PHE 303 Ca 0.00 0.37 -0.09 0.00 -0.96 0.00 0.00 56.93 56.25 1gth s PHE 303 Cb 0.00 -1.89 0.00 0.00 -0.34 0.00 0.00 43.02 40.80 1gth s PHE 303 CO 0.00 0.60 0.19 0.71 -1.46 0.00 0.00 175.22 175.26 1gth s TYR 304 N -0.90 0.11 0.34 10.12 1.51 0.10 -3.29 117.35 125.34 1gth s TYR 304 Ca 0.14 -0.44 0.08 0.00 -1.01 0.00 0.00 57.07 55.83 1gth s TYR 304 Cb -0.12 -0.04 -0.04 0.00 -0.11 0.00 0.00 41.96 41.65 1gth s TYR 304 CO 0.03 -0.49 0.20 0.95 -1.11 0.00 0.00 175.55 175.12 1gth s THR 305 N -3.28 3.23 0.33 -0.71 -4.23 -1.26 -0.64 115.64 109.08 1gth s THR 305 Ca 0.00 -1.57 0.03 0.00 -1.18 0.00 0.00 61.69 58.97 1gth s THR 305 Cb 0.02 -3.06 0.28 0.00 1.34 0.00 0.00 72.50 71.09 1gth s THR 305 CO -0.08 -0.18 1.95 0.77 -0.54 0.00 0.00 174.62 176.54 1gth h SER 306 N 1.44 0.79 0.33 3.99 4.64 -0.95 -0.40 113.55 123.39 1gth h SER 306 Ca -0.44 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.87 1gth h SER 306 Cb 1.25 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1gth h SER 306 CO 0.61 0.52 -0.05 0.11 -0.87 0.00 0.00 176.83 177.15 1gth h LYS 307 N 0.91 0.00 0.02 4.77 1.79 -1.93 -2.44 116.57 119.68 1gth h LYS 307 Ca 0.33 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.50 1gth h LYS 307 Cb 0.16 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.77 1gth h LYS 307 CO -0.11 0.05 -1.66 -0.25 -1.08 0.00 0.00 179.45 176.40 1gth n ASP 308 N -3.43 1.92 0.25 0.86 10.43 -0.28 -4.47 116.55 121.83 1gth n ASP 308 Ca -0.02 0.36 -0.10 0.00 2.57 0.00 0.00 54.79 57.60 1gth n ASP 308 Cb 0.18 -0.91 -0.05 0.00 1.84 0.00 0.00 41.12 42.19 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 -0.82 -0.61 -0.78 1.24 3.57 -1.17 -3.29 116.94 115.08 1gth h PHE 309 Ca -0.44 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.19 1gth h PHE 309 Cb 1.49 0.20 -0.10 0.00 2.79 0.00 0.00 35.95 40.33 1gth h PHE 309 CO 0.06 -0.38 0.33 -0.07 -2.23 0.00 0.00 178.31 176.02 1gth h LEU 310 N -0.88 0.33 -1.85 0.59 3.38 -1.69 -0.81 115.31 114.39 1gth h LEU 310 Ca -0.07 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1gth h LEU 310 Cb 0.50 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1gth h LEU 310 CO 0.11 0.13 -0.10 -0.65 0.09 0.00 0.00 178.44 178.02 1gth h PRO 311 N 0.48 0.00 -0.28 1.13 0.11 -1.65 0.05 132.00 131.84 1gth h PRO 311 Ca 0.43 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.43 1gth h PRO 311 Cb 0.65 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.75 1gth h PRO 311 CO -0.40 0.10 -0.25 -0.07 -0.21 0.00 0.00 178.00 177.17 1gth h LEU 312 N 0.00 0.70 -0.62 2.35 3.38 -1.22 -1.20 115.31 118.70 1gth h LEU 312 Ca -0.00 -0.46 -0.12 0.00 0.09 0.00 0.00 57.88 57.38 1gth h LEU 312 Cb 0.19 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1gth h LEU 312 CO 0.01 1.02 -0.22 0.58 0.09 0.00 0.00 178.44 179.92 1gth h VAL 313 N 0.39 1.27 0.09 1.22 2.07 -1.09 -2.70 116.25 117.51 1gth h VAL 313 Ca 0.05 -1.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.21 1gth h VAL 313 Cb 0.82 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1gth h VAL 313 CO 0.06 0.46 -0.04 0.00 0.02 0.00 0.00 177.57 178.07 1gth h ALA 314 N 1.01 -0.13 -0.03 1.67 0.00 -0.91 -0.22 119.26 120.64 1gth h ALA 314 Ca 0.10 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1gth h ALA 314 Cb 0.76 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1gth h ALA 314 CO 0.06 -0.52 0.02 0.87 0.00 0.00 0.00 179.25 179.68 1gth h LYS 315 N -0.22 0.00 0.00 0.00 1.57 -1.18 0.69 116.57 117.43 1gth h LYS 315 Ca -0.01 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.53 1gth h LYS 315 Cb 0.18 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 1gth h LYS 315 CO 0.02 0.00 -1.28 1.03 -0.57 0.00 0.00 179.45 178.65 1gth h SER 316 N 0.00 0.00 -0.00 0.86 0.87 -1.14 -3.38 113.55 110.76 1gth h SER 316 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1gth h SER 316 Cb 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1gth h SER 316 CO -0.00 0.97 -0.74 -1.54 -0.53 0.00 0.00 176.83 174.99 1gth n SER 317 N -3.21 1.10 -4.19 6.23 3.41 -0.13 -4.85 113.62 111.98 1gth n SER 317 Ca -0.07 -1.05 -0.40 0.00 -0.26 0.00 0.00 58.87 57.09 1gth n SER 317 Cb 0.98 0.87 -0.09 0.00 -0.26 0.00 0.00 64.21 65.70 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 -2.58 2.36 0.10 4.33 1.02 0.19 -4.96 119.74 120.20 1gth s LYS 318 Ca 0.09 -1.76 -0.31 0.00 0.02 0.00 0.00 55.97 54.02 1gth s LYS 318 Cb 0.14 -3.83 -0.09 0.00 -0.52 0.00 0.00 37.83 33.53 1gth s LYS 318 CO 0.68 -1.15 1.75 0.00 -0.92 0.00 0.00 175.35 175.71 1gth s ALA 319 N 1.31 3.73 0.00 5.17 0.00 -1.26 -2.10 121.76 128.60 1gth s ALA 319 Ca 0.06 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.36 1gth s ALA 319 Cb -0.25 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.14 1gth s ALA 319 CO -0.01 -1.17 0.00 0.41 0.00 0.00 0.00 175.76 174.98 1gth n GLY 320 N 4.13 3.03 0.43 0.00 0.00 -1.26 -4.80 105.19 106.71 1gth n GLY 320 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 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 2.35 -1.01 -5.77 1.61 -1.53 -1.78 -3.44 114.93 105.35 1gth h MET 321 Ca 0.00 0.07 -0.62 0.00 -3.44 0.00 0.00 59.70 55.71 1gth h MET 321 Cb 0.00 0.23 -0.31 0.00 -0.55 0.00 0.00 31.60 30.97 1gth h MET 321 CO 0.00 -0.66 -0.86 0.00 0.14 0.00 0.00 176.91 175.53 1gth h ALA 323 N 5.97 1.11 -2.31 0.00 0.00 -1.97 -3.45 119.26 118.60 1gth h ALA 323 Ca -0.35 -0.47 -0.52 0.00 0.00 0.00 0.00 54.91 53.57 1gth h ALA 323 Cb 1.16 -0.08 0.15 0.00 0.00 0.00 0.00 17.79 19.01 1gth h ALA 323 CO 0.48 0.65 0.30 0.00 0.00 0.00 0.00 179.25 180.68 1gth s HIS 325 N -2.82 3.88 -0.14 0.00 2.46 -1.26 -5.04 115.29 112.37 1gth s HIS 325 Ca 0.63 1.84 0.00 0.00 0.47 0.00 0.00 55.06 58.00 1gth s HIS 325 Cb -0.19 -3.04 0.02 0.00 -0.13 0.00 0.00 32.58 29.25 1gth s HIS 325 CO 0.56 0.25 -0.11 -1.12 -2.47 0.00 0.00 174.74 171.85 1gth s SER 326 N -0.66 2.50 0.22 9.88 0.01 -1.26 -5.08 113.70 119.30 1gth s SER 326 Ca 0.44 -0.43 -0.30 0.00 1.31 0.00 0.00 55.95 56.98 1gth s SER 326 Cb -0.26 -1.03 -0.08 0.00 0.21 0.00 0.00 66.02 64.86 1gth s SER 326 CO 0.32 -0.09 1.07 -2.84 0.41 0.00 0.00 173.24 172.11 1gth s PRO 327 N 1.58 4.65 0.06 12.44 0.02 -1.26 -4.45 135.00 148.05 1gth s PRO 327 Ca 0.05 1.70 -0.31 0.00 0.02 0.00 0.00 61.00 62.46 1gth s PRO 327 Cb -0.13 -3.26 -0.07 0.00 0.02 0.00 0.00 34.50 31.06 1gth s PRO 327 CO -0.10 0.19 1.48 -1.17 -0.33 0.00 0.00 177.00 177.07 1gth s LEU 328 N -0.81 4.35 -0.06 -5.54 2.96 -1.26 -4.85 118.68 113.47 1gth s LEU 328 Ca 0.46 2.30 -0.38 0.00 -0.22 0.00 0.00 54.13 56.30 1gth s LEU 328 Cb -0.29 -3.57 -0.16 0.00 0.50 0.00 0.00 46.19 42.66 1gth s LEU 328 CO 0.36 -0.75 1.50 -2.65 -1.32 0.00 0.00 176.35 173.49 1gth n PRO 329 N 4.96 1.17 -2.63 0.98 -0.02 -1.26 -4.84 135.00 133.35 1gth n PRO 329 Ca 0.13 0.42 -0.42 0.00 -2.02 0.00 0.00 63.50 61.62 1gth n PRO 329 Cb 0.42 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.78 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 1.70 6.22 -0.31 2.55 1.04 -1.26 -4.73 113.70 118.91 1gth s SER 330 Ca 0.90 -0.76 -0.04 0.00 0.48 0.00 0.00 55.95 56.54 1gth s SER 330 Cb -0.99 -2.52 0.04 0.00 0.10 0.00 0.00 66.02 62.64 1gth s SER 330 CO 0.54 -1.68 0.03 -0.63 0.98 0.00 0.00 173.24 172.48 1gth s ILE 331 N 5.16 3.30 0.10 -1.02 1.01 -1.19 -5.08 121.20 123.47 1gth s ILE 331 Ca 0.33 -1.23 0.07 0.00 0.00 0.00 0.00 60.65 59.83 1gth s ILE 331 Cb -0.09 -2.85 -0.03 0.00 0.01 0.00 0.00 42.46 39.50 1gth s ILE 331 CO 0.10 -0.09 -0.19 -0.13 0.00 0.00 0.00 174.94 174.63 1gth s ARG 332 N 1.32 1.04 0.69 2.79 3.00 -1.26 -1.23 118.95 125.30 1gth s ARG 332 Ca -0.03 -1.12 0.00 0.00 0.00 0.00 0.00 55.73 54.58 1gth s ARG 332 Cb -0.19 -1.22 0.00 0.00 0.00 0.00 0.00 34.95 33.54 1gth s ARG 332 CO 0.00 0.28 0.00 0.41 0.00 0.00 0.00 175.30 175.99 1gth n GLY 333 N 1.08 -1.77 3.72 -3.53 0.00 -1.26 -4.72 105.19 98.71 1gth n GLY 333 Ca -0.20 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.65 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 -1.62 3.27 -0.10 4.61 0.00 -1.26 -2.07 121.76 124.60 1gth s ALA 334 Ca 0.00 0.66 0.02 0.00 0.00 0.00 0.00 51.96 52.64 1gth s ALA 334 Cb 0.00 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.77 1gth s ALA 334 CO 0.00 -0.19 -0.15 0.08 0.00 0.00 0.00 175.76 175.50 1gth s VAL 335 N 0.39 2.91 -0.17 0.00 1.01 0.20 -0.42 120.40 124.33 1gth s VAL 335 Ca 0.51 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 1gth s VAL 335 Cb -0.25 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 1gth s VAL 335 CO 0.30 0.55 -0.11 -0.63 0.00 0.00 0.00 175.10 175.21 1gth s ILE 336 N 0.02 3.03 -0.22 2.22 1.01 0.44 -0.17 121.20 127.53 1gth s ILE 336 Ca -0.05 -0.64 -0.04 0.00 0.00 0.00 0.00 60.65 59.92 1gth s ILE 336 Cb -0.14 -2.32 -0.01 0.00 0.01 0.00 0.00 42.46 39.99 1gth s ILE 336 CO 0.04 0.49 -0.02 -0.69 0.00 0.00 0.00 174.94 174.76 1gth s VAL 337 N 0.90 3.62 -0.21 2.92 1.01 0.23 -0.40 120.40 128.48 1gth s VAL 337 Ca -0.03 -0.41 -0.16 0.00 0.00 0.00 0.00 61.98 61.38 1gth s VAL 337 Cb -0.15 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 1gth s VAL 337 CO -0.00 0.41 0.40 -0.76 0.00 0.00 0.00 175.10 175.15 1gth s LEU 338 N 1.38 4.15 0.00 3.92 1.43 0.09 -1.12 118.68 128.53 1gth s LEU 338 Ca 0.05 0.50 0.00 0.00 -1.03 0.00 0.00 54.13 53.64 1gth s LEU 338 Cb -0.14 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.57 1gth s LEU 338 CO -0.01 -0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.09 1gth n GLY 339 N 3.98 3.16 0.78 -3.19 0.00 -0.61 -1.38 105.19 107.92 1gth n GLY 339 Ca -0.08 -1.95 0.05 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.70 2.66 -1.94 4.61 0.00 -1.26 -4.56 120.51 119.33 1gth n ALA 340 Ca 0.00 -2.42 -0.28 0.00 0.00 0.00 0.00 53.44 50.73 1gth n ALA 340 Cb 0.00 -0.51 0.14 0.00 0.00 0.00 0.00 19.45 19.08 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 1.73 0.49 0.00 0.00 -1.26 -4.01 107.32 101.94 1gth s GLY 341 Ca 0.28 -1.15 0.22 0.00 0.00 0.00 0.00 44.72 44.07 1gth s GLY 341 CO -0.07 -0.50 2.03 -0.55 0.00 0.00 0.00 173.10 174.00 1gth h ASP 342 N -1.26 0.00 -0.14 1.64 3.32 -1.94 -2.43 116.42 115.62 1gth h ASP 342 Ca -0.43 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.48 1gth h ASP 342 Cb 1.26 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 1gth h ASP 342 CO 0.46 0.16 -0.38 0.74 -1.72 0.00 0.00 179.24 178.50 1gth h THR 343 N 0.00 1.29 -0.94 0.35 2.02 -1.92 -2.97 112.91 110.73 1gth h THR 343 Ca -0.00 -1.54 0.10 0.00 0.77 0.00 0.00 66.41 65.74 1gth h THR 343 Cb 0.36 1.48 -0.08 0.00 -1.74 0.00 0.00 68.15 68.17 1gth h THR 343 CO 0.02 0.49 0.58 0.00 0.37 0.00 0.00 175.52 176.99 1gth h ALA 344 N 1.04 1.37 -0.13 6.16 0.00 -1.70 -1.29 119.26 124.71 1gth h ALA 344 Ca 0.05 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1gth h ALA 344 Cb 0.90 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1gth h ALA 344 CO 0.08 0.24 -0.38 0.74 0.00 0.00 0.00 179.25 179.93 1gth h PHE 345 N 0.98 0.33 0.00 0.00 -1.00 -1.54 -0.55 116.94 115.16 1gth h PHE 345 Ca 0.45 -0.08 -0.13 0.00 2.81 0.00 0.00 57.97 61.02 1gth h PHE 345 Cb 0.36 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 39.82 1gth h PHE 345 CO -0.02 0.63 -0.60 -0.44 -1.61 0.00 0.00 178.31 176.26 1gth h ASP 346 N 0.24 0.00 -0.26 2.17 3.32 -1.27 -1.87 116.42 118.75 1gth h ASP 346 Ca 0.03 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.94 1gth h ASP 346 Cb 0.78 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.33 1gth h ASP 346 CO 0.06 0.60 -0.36 0.00 -1.72 0.00 0.00 179.24 177.82 1gth h ALA 348 N 0.67 -0.55 -0.45 0.00 0.00 -0.97 0.53 119.26 118.48 1gth h ALA 348 Ca 0.03 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1gth h ALA 348 Cb 0.95 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1gth h ALA 348 CO 0.08 -0.78 0.05 1.79 0.00 0.00 0.00 179.25 180.40 1gth h THR 349 N -0.62 1.22 -0.15 0.00 1.35 -1.40 -2.46 112.91 110.84 1gth h THR 349 Ca -0.06 -0.84 -0.12 0.00 -0.55 0.00 0.00 66.41 64.84 1gth h THR 349 Cb 0.46 0.82 -0.01 0.00 -1.73 0.00 0.00 68.15 67.69 1gth h THR 349 CO 0.09 0.30 -0.44 0.28 -0.25 0.00 0.00 175.52 175.51 1gth h SER 350 N 0.67 0.39 -0.76 5.36 0.02 -1.12 -2.92 113.55 115.20 1gth h SER 350 Ca 0.14 -0.18 0.04 0.00 -0.84 0.00 0.00 61.79 60.96 1gth h SER 350 Cb 0.34 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.72 1gth h SER 350 CO 0.01 0.78 0.48 0.00 -1.14 0.00 0.00 176.83 176.95 1gth h ALA 351 N 1.24 1.01 -0.77 3.77 0.00 -0.41 -1.58 119.26 122.52 1gth h ALA 351 Ca 0.02 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1gth h ALA 351 Cb 0.89 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1gth h ALA 351 CO 0.07 0.25 0.51 -0.07 0.00 0.00 0.00 179.25 180.01 1gth h LEU 352 N 0.91 0.80 -1.51 0.00 3.38 -1.34 -0.23 115.31 117.32 1gth h LEU 352 Ca 0.32 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1gth h LEU 352 Cb 0.07 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1gth h LEU 352 CO -0.13 0.55 -0.05 0.03 0.09 0.00 0.00 178.44 178.93 1gth h ARG 353 N 0.93 0.00 -0.00 1.13 -0.00 -1.25 -2.61 114.38 112.57 1gth h ARG 353 Ca 0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.79 1gth h ARG 353 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.04 1gth h ARG 353 CO -0.09 0.05 -0.23 0.00 0.00 0.00 0.00 179.97 179.70 1gth n GLY 355 N 1.37 0.96 3.64 0.00 0.00 -0.99 -3.15 105.19 107.03 1gth n GLY 355 Ca 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.75 0.50 0.14 4.61 0.00 -0.36 -4.51 120.51 120.14 1gth n ALA 356 Ca 0.00 0.38 -0.25 0.00 0.00 0.00 0.00 53.44 53.58 1gth n ALA 356 Cb 0.00 -2.14 -0.16 0.00 0.00 0.00 0.00 19.45 17.15 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 2.49 0.53 -2.93 0.00 2.43 -1.68 -3.45 114.38 111.77 1gth h ARG 357 Ca -0.43 -0.90 -0.12 0.00 -0.81 0.00 0.00 59.98 57.72 1gth h ARG 357 Cb 1.31 0.34 -0.22 0.00 -0.42 0.00 0.00 29.97 30.98 1gth h ARG 357 CO 0.63 1.43 -0.26 1.03 -1.51 0.00 0.00 179.97 181.29 1gth s ARG 358 N -2.60 0.60 -0.08 0.20 1.81 -1.21 -5.02 118.95 112.65 1gth s ARG 358 Ca -0.10 0.07 0.02 0.00 -1.72 0.00 0.00 55.73 54.00 1gth s ARG 358 Cb 0.04 0.27 0.01 0.00 -0.45 0.00 0.00 34.95 34.83 1gth s ARG 358 CO 0.94 -0.14 -0.13 0.08 -0.68 0.00 0.00 175.30 175.37 1gth s VAL 359 N -0.79 1.20 -0.10 3.52 1.01 -1.26 -0.63 120.40 123.36 1gth s VAL 359 Ca -0.09 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.42 1gth s VAL 359 Cb -0.04 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 1gth s VAL 359 CO 0.03 0.37 -0.18 -0.36 0.00 0.00 0.00 175.10 174.96 1gth s PHE 360 N 0.80 2.66 -0.36 5.22 0.40 0.77 -1.27 117.98 126.20 1gth s PHE 360 Ca -0.12 -0.70 -0.11 0.00 -0.60 0.00 0.00 56.93 55.40 1gth s PHE 360 Cb -0.15 -1.73 0.01 0.00 0.51 0.00 0.00 43.02 41.65 1gth s PHE 360 CO 0.02 -0.22 0.21 -0.51 0.70 0.00 0.00 175.22 175.42 1gth s LEU 361 N 0.11 4.56 -0.21 -0.37 1.43 0.56 -0.60 118.68 124.16 1gth s LEU 361 Ca -0.09 -0.77 -0.04 0.00 -1.03 0.00 0.00 54.13 52.20 1gth s LEU 361 Cb -0.15 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.00 1gth s LEU 361 CO 0.06 -0.32 -0.04 -0.69 0.23 0.00 0.00 176.35 175.59 1gth s VAL 362 N 1.61 3.50 0.13 -1.59 1.01 -0.27 -0.63 120.40 124.16 1gth s VAL 362 Ca 0.04 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.63 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 0.07 0.43 -0.17 0.72 0.00 0.00 0.00 175.10 176.15 1gth s PHE 363 N 1.30 1.63 -1.11 5.22 -0.12 -0.69 -1.58 117.98 122.63 1gth s PHE 363 Ca 0.04 -0.49 0.27 0.00 -0.05 0.00 0.00 56.93 56.70 1gth s PHE 363 Cb -0.14 -0.85 1.22 0.00 -0.63 0.00 0.00 43.02 42.61 1gth s PHE 363 CO -0.01 0.22 1.89 2.89 -0.05 0.00 0.00 175.22 180.16 1gth n ARG 364 N 0.60 0.10 -1.38 1.99 1.85 -1.02 -1.45 116.66 117.35 1gth n ARG 364 Ca -0.16 0.03 0.00 0.00 -1.00 0.00 0.00 57.85 56.73 1gth n ARG 364 Cb 0.56 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.47 1gth n ARG 364 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1gth n LYS 365 N -1.44 2.32 -2.42 2.89 5.02 -1.26 -4.14 118.16 119.13 1gth n LYS 365 Ca 0.08 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.13 1gth n LYS 365 Cb 0.29 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.39 1gth n LYS 365 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1gth s GLY 366 N -0.93 1.76 0.24 0.72 0.00 -1.26 -1.13 107.32 106.71 1gth s GLY 366 Ca 0.00 -1.35 -0.08 0.00 0.00 0.00 0.00 44.72 43.30 1gth s GLY 366 CO 0.00 -0.87 1.91 0.74 0.00 0.00 0.00 173.10 174.88 1gth h PHE 367 N -0.53 1.14 0.00 1.90 -1.00 -1.98 -0.70 116.94 115.77 1gth h PHE 367 Ca -0.41 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.39 1gth h PHE 367 Cb 1.28 -0.39 -0.00 0.00 3.61 0.00 0.00 35.95 40.46 1gth h PHE 367 CO -0.01 0.71 -0.02 0.28 -1.61 0.00 0.00 178.31 177.66 1gth h VAL 368 N 1.23 0.15 -0.00 -0.55 2.07 -2.06 -2.22 116.25 114.86 1gth h VAL 368 Ca 0.34 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.66 1gth h VAL 368 Cb -0.13 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1gth h VAL 368 CO -0.08 0.02 -0.21 0.59 0.02 0.00 0.00 177.57 177.91 1gth n ASN 369 N -3.25 0.60 -4.68 0.57 4.13 -0.27 -4.84 115.26 107.51 1gth n ASN 369 Ca -0.02 -0.51 -0.42 0.00 1.68 0.00 0.00 54.58 55.31 1gth n ASN 369 Cb 0.15 0.01 -0.03 0.00 -1.54 0.00 0.00 39.78 38.37 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 -2.62 3.12 -2.13 2.41 1.01 -0.84 -4.85 121.20 117.30 1gth s ILE 370 Ca 0.23 0.44 0.19 0.00 0.00 0.00 0.00 60.65 61.51 1gth s ILE 370 Cb 0.19 -3.28 0.29 0.00 0.01 0.00 0.00 42.46 39.67 1gth s ILE 370 CO 0.53 -0.02 1.24 0.54 0.00 0.00 0.00 174.94 177.23 1gth n ARG 371 N 6.23 2.09 -2.36 2.79 1.74 -1.26 -4.97 116.66 120.92 1gth n ARG 371 Ca 0.17 -1.95 -0.37 0.00 -0.77 0.00 0.00 57.85 54.93 1gth n ARG 371 Cb 0.41 -1.41 -0.02 0.00 -1.02 0.00 0.00 32.46 30.42 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 -1.39 2.99 0.20 7.54 0.00 -1.26 -4.92 121.76 124.92 1gth s ALA 372 Ca 0.29 0.84 -0.33 0.00 0.00 0.00 0.00 51.96 52.77 1gth s ALA 372 Cb 0.18 -3.34 -0.14 0.00 0.00 0.00 0.00 23.12 19.82 1gth s ALA 372 CO 0.25 -0.51 1.45 1.55 0.00 0.00 0.00 175.76 178.51 1gth n VAL 373 N -0.44 0.56 -0.28 0.00 3.14 -1.26 -4.80 118.33 115.25 1gth n VAL 373 Ca 0.07 -0.14 0.09 0.00 -2.96 0.00 0.00 64.34 61.40 1gth n VAL 373 Cb 0.49 -1.43 0.25 0.00 -1.06 0.00 0.00 33.84 32.09 1gth n VAL 373 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 1gth h PRO 374 N 4.78 0.38 -0.85 1.45 0.11 -1.97 -0.94 132.00 134.97 1gth h PRO 374 Ca -0.45 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.70 1gth h PRO 374 Cb 1.27 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 1gth h PRO 374 CO 0.80 0.25 0.55 0.93 -0.21 0.00 0.00 178.00 180.33 1gth h GLU 375 N 0.39 0.92 -0.20 1.05 3.07 -2.00 0.71 114.58 118.54 1gth h GLU 375 Ca 0.49 -0.06 -0.17 0.00 -0.50 0.00 0.00 59.36 59.12 1gth h GLU 375 Cb 0.86 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.56 1gth h GLU 375 CO -0.49 0.61 -0.55 1.49 -1.40 0.00 0.00 179.01 178.67 1gth h GLU 376 N 0.95 0.72 -0.82 2.33 4.57 -1.55 -3.04 114.58 117.74 1gth h GLU 376 Ca 0.36 -0.51 -0.00 0.00 -1.18 0.00 0.00 59.36 58.03 1gth h GLU 376 Cb 0.20 0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.83 1gth h GLU 376 CO -0.13 1.13 0.51 0.28 -1.18 0.00 0.00 179.01 179.62 1gth h VAL 377 N 0.44 1.22 -0.85 0.32 2.07 -0.73 -2.63 116.25 116.10 1gth h VAL 377 Ca -0.01 -0.47 0.02 0.00 0.82 0.00 0.00 66.70 67.05 1gth h VAL 377 Cb 1.17 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1gth h VAL 377 CO 0.12 0.23 0.56 -0.08 0.02 0.00 0.00 177.57 178.42 1gth h GLU 378 N 1.12 1.09 -0.88 1.57 4.81 -0.86 -1.31 114.58 120.12 1gth h GLU 378 Ca 0.29 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.47 1gth h GLU 378 Cb -0.07 -0.25 -0.04 0.00 0.63 0.00 0.00 28.75 29.02 1gth h GLU 378 CO -0.06 0.72 0.58 -0.07 -0.73 0.00 0.00 179.01 179.45 1gth h LEU 379 N 1.12 1.02 -0.37 1.64 3.38 -1.36 0.60 115.31 121.36 1gth h LEU 379 Ca 0.32 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 58.11 1gth h LEU 379 Cb -0.09 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 1gth h LEU 379 CO -0.08 0.75 -0.36 0.00 0.09 0.00 0.00 178.44 178.84 1gth h ALA 380 N 1.32 0.54 -0.61 1.53 0.00 -1.40 -2.87 119.26 117.76 1gth h ALA 380 Ca 0.32 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1gth h ALA 380 Cb -0.12 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1gth h ALA 380 CO -0.07 0.62 0.29 -0.22 0.00 0.00 0.00 179.25 179.87 1gth h LYS 381 N 0.69 0.88 0.00 0.00 3.64 -0.68 -2.11 116.57 119.00 1gth h LYS 381 Ca 0.06 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1gth h LYS 381 Cb 0.95 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1gth h LYS 381 CO 0.09 0.72 0.00 1.05 -2.27 0.00 0.00 179.45 179.04 1gth h GLU 382 N 0.84 0.00 -0.65 1.90 4.11 -0.90 -2.35 114.58 117.54 1gth h GLU 382 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.64 1gth h GLU 382 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1gth h GLU 382 CO -0.03 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.44 1gth n GLU 383 N -2.84 3.55 -3.46 1.06 1.02 -1.00 -4.81 120.64 114.17 1gth n GLU 383 Ca 0.02 -2.33 -0.20 0.00 -0.02 0.00 0.00 57.16 54.63 1gth n GLU 383 Cb 0.36 -1.92 0.08 0.00 -0.02 0.00 0.00 31.44 29.94 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 0.68 -7.06 -3.03 3.49 4.76 -0.88 -4.73 118.16 111.38 1gth n LYS 384 Ca 0.21 0.78 -0.38 0.00 -2.87 0.00 0.00 58.31 56.04 1gth n LYS 384 Cb 0.85 -5.66 -0.06 0.00 -1.84 0.00 0.00 35.03 28.32 1gth n LYS 384 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1gth s GLU 386 N -1.36 3.85 -0.10 0.00 2.56 -0.40 -4.74 118.70 118.51 1gth s GLU 386 Ca 0.37 0.36 0.04 0.00 0.00 0.00 0.00 54.97 55.73 1gth s GLU 386 Cb -0.21 -2.65 0.00 0.00 2.00 0.00 0.00 34.13 33.27 1gth s GLU 386 CO 0.24 0.32 -0.24 -0.06 -0.56 0.00 0.00 175.26 174.96 1gth s PHE 387 N -1.79 2.55 -0.25 5.30 0.40 -1.26 -0.33 117.98 122.60 1gth s PHE 387 Ca 0.47 -1.07 0.01 0.00 -0.60 0.00 0.00 56.93 55.75 1gth s PHE 387 Cb -0.12 -1.71 0.07 0.00 0.51 0.00 0.00 43.02 41.77 1gth s PHE 387 CO 0.20 -0.43 -0.04 -0.51 0.70 0.00 0.00 175.22 175.14 1gth s LEU 388 N 0.38 2.84 0.74 -0.37 1.43 0.20 -4.95 118.68 118.94 1gth s LEU 388 Ca -0.18 -1.31 -0.04 0.00 -1.03 0.00 0.00 54.13 51.56 1gth s LEU 388 Cb -0.18 -1.24 0.11 0.00 0.03 0.00 0.00 46.19 44.92 1gth s LEU 388 CO 0.08 -0.25 1.02 -2.16 0.23 0.00 0.00 176.35 175.27 1gth s PRO 389 N 1.33 1.71 -1.49 1.29 0.04 -1.26 -1.71 135.00 134.92 1gth s PRO 389 Ca -0.04 -0.80 -0.02 0.00 0.04 0.00 0.00 61.00 60.18 1gth s PRO 389 Cb -0.19 -2.24 0.02 0.00 0.04 0.00 0.00 34.50 32.13 1gth s PRO 389 CO -0.07 -1.48 0.33 1.19 0.04 0.00 0.00 177.00 177.01 1gth n PHE 390 N -2.94 -1.53 -3.74 0.56 3.01 -0.28 -4.85 117.46 107.69 1gth n PHE 390 Ca 0.13 0.71 -0.20 0.00 1.01 0.00 0.00 57.45 59.10 1gth n PHE 390 Cb 0.60 -3.34 -0.17 0.00 -0.01 0.00 0.00 39.48 36.56 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 -7.13 0.48 -0.17 4.37 1.43 -0.53 -2.71 118.68 114.42 1gth s LEU 391 Ca 0.09 0.03 -0.03 0.00 -1.03 0.00 0.00 54.13 53.19 1gth s LEU 391 Cb -0.05 -0.21 -0.02 0.00 0.03 0.00 0.00 46.19 45.95 1gth s LEU 391 CO 0.93 -0.20 -0.07 -0.55 0.23 0.00 0.00 176.35 176.69 1gth s SER 392 N 1.85 4.35 0.60 2.29 0.15 -0.70 -2.45 113.70 119.79 1gth s SER 392 Ca 0.01 -0.29 -0.20 0.00 0.70 0.00 0.00 55.95 56.17 1gth s SER 392 Cb -0.12 -1.71 -0.03 0.00 -1.71 0.00 0.00 66.02 62.45 1gth s SER 392 CO -0.03 0.10 1.31 -2.16 1.20 0.00 0.00 173.24 173.66 1gth s PRO 393 N 0.78 2.83 0.00 5.44 0.04 -1.26 -1.29 135.00 141.53 1gth s PRO 393 Ca -0.03 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.12 1gth s PRO 393 Cb -0.15 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1gth s PRO 393 CO 0.02 -1.40 0.00 0.54 0.04 0.00 0.00 177.00 176.20 1gth n ARG 394 N -1.52 0.07 -3.75 4.56 5.12 0.97 -4.85 116.66 117.26 1gth n ARG 394 Ca 0.13 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.92 1gth n ARG 394 Cb 0.47 -0.55 -0.08 0.00 -1.16 0.00 0.00 32.46 31.13 1gth n ARG 394 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1gth s LYS 395 N -1.11 0.69 -0.26 5.56 2.20 -1.03 -4.87 119.74 120.93 1gth s LYS 395 Ca 0.00 -0.19 0.02 0.00 -0.36 0.00 0.00 55.97 55.45 1gth s LYS 395 Cb 0.00 0.31 0.05 0.00 -1.51 0.00 0.00 37.83 36.68 1gth s LYS 395 CO 0.00 -0.19 -0.11 0.08 -0.36 0.00 0.00 175.35 174.77 1gth s VAL 396 N -1.37 2.27 -0.13 4.02 1.01 -1.26 0.30 120.40 125.23 1gth s VAL 396 Ca -0.13 -1.52 -0.28 0.00 0.00 0.00 0.00 61.98 60.05 1gth s VAL 396 Cb -0.05 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 1gth s VAL 396 CO 0.04 0.03 0.93 -0.63 0.00 0.00 0.00 175.10 175.47 1gth s ILE 397 N 1.14 4.83 -0.08 2.22 1.01 -0.18 -5.00 121.20 125.14 1gth s ILE 397 Ca -0.07 1.85 0.05 0.00 0.00 0.00 0.00 60.65 62.49 1gth s ILE 397 Cb -0.19 -4.23 -0.00 0.00 0.01 0.00 0.00 42.46 38.04 1gth s ILE 397 CO -0.05 0.02 -0.24 -0.69 0.00 0.00 0.00 174.94 173.97 1gth s VAL 398 N 2.07 2.01 -0.04 2.92 1.01 -1.26 -1.45 120.40 125.65 1gth s VAL 398 Ca 0.44 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 1gth s VAL 398 Cb -0.17 -1.72 0.03 0.00 0.00 0.00 0.00 36.38 34.52 1gth s VAL 398 CO 0.15 0.55 0.09 -0.54 0.00 0.00 0.00 175.10 175.35 1gth s LYS 399 N 0.10 0.03 -0.94 2.72 1.02 0.23 -4.82 119.74 118.08 1gth s LYS 399 Ca -0.11 0.26 0.00 0.00 0.02 0.00 0.00 55.97 56.14 1gth s LYS 399 Cb -0.16 -0.18 0.00 0.00 -0.52 0.00 0.00 37.83 36.97 1gth s LYS 399 CO 0.06 -0.15 0.00 0.41 -0.92 0.00 0.00 175.35 174.75 1gth n GLY 400 N 4.06 0.95 2.13 -3.33 0.00 -1.26 -2.37 105.19 105.38 1gth n GLY 400 Ca -0.25 -0.61 -0.05 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.77 0.56 3.03 -0.02 0.00 -1.26 -5.02 105.19 100.71 1gth n GLY 401 Ca -0.09 -0.77 -0.11 0.00 0.00 0.00 0.00 46.02 45.04 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 -3.07 0.27 0.48 1.61 0.52 -1.00 -3.95 118.95 113.82 1gth s ARG 402 Ca 0.00 -0.12 -0.22 0.00 -0.52 0.00 0.00 55.73 54.86 1gth s ARG 402 Cb 0.00 0.11 -0.07 0.00 0.52 0.00 0.00 34.95 35.52 1gth s ARG 402 CO 0.00 -0.05 1.17 0.42 0.02 0.00 0.00 175.30 176.86 1gth s ILE 403 N -0.61 3.04 0.00 1.52 1.01 0.39 -0.61 121.20 125.95 1gth s ILE 403 Ca -0.07 0.76 0.00 0.00 0.00 0.00 0.00 60.65 61.34 1gth s ILE 403 Cb -0.04 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 39.06 1gth s ILE 403 CO 0.00 -0.03 0.00 1.33 0.00 0.00 0.00 174.94 176.24 1gth n VAL 404 N -0.65 0.00 -3.67 2.92 0.24 -0.53 -4.40 118.33 112.24 1gth n VAL 404 Ca 0.08 -0.05 -0.01 0.00 -2.04 0.00 0.00 64.34 62.32 1gth n VAL 404 Cb 0.48 0.47 -0.01 0.00 -1.47 0.00 0.00 33.84 33.32 1gth n VAL 404 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1gth s ALA 405 N -0.40 -1.98 -0.01 2.33 0.00 -1.19 -2.03 121.76 118.48 1gth s ALA 405 Ca 0.00 0.51 0.01 0.00 0.00 0.00 0.00 51.96 52.48 1gth s ALA 405 Cb 0.00 0.45 0.01 0.00 0.00 0.00 0.00 23.12 23.58 1gth s ALA 405 CO 0.00 -1.02 -0.03 0.08 0.00 0.00 0.00 175.76 174.79 1gth s VAL 406 N -2.80 0.28 -0.18 0.00 1.01 0.33 -1.01 120.40 118.04 1gth s VAL 406 Ca 0.13 -0.09 -0.09 0.00 0.00 0.00 0.00 61.98 61.93 1gth s VAL 406 Cb 0.02 -0.28 -0.05 0.00 0.00 0.00 0.00 36.38 36.07 1gth s VAL 406 CO -0.02 0.11 0.12 -1.58 0.00 0.00 0.00 175.10 173.73 1gth s GLN 407 N 0.28 4.02 0.39 2.72 0.74 0.15 -1.61 119.66 126.33 1gth s GLN 407 Ca -0.03 -0.23 0.04 0.00 0.05 0.00 0.00 55.36 55.19 1gth s GLN 407 Cb -0.06 -3.33 -0.05 0.00 1.10 0.00 0.00 33.01 30.67 1gth s GLN 407 CO -0.01 0.37 0.06 -0.06 -0.55 0.00 0.00 175.29 175.10 1gth s PHE 408 N 0.13 2.01 0.01 1.67 0.40 0.36 -0.02 117.98 122.54 1gth s PHE 408 Ca 0.08 -0.98 0.02 0.00 -0.60 0.00 0.00 56.93 55.45 1gth s PHE 408 Cb -0.11 -1.40 -0.01 0.00 0.51 0.00 0.00 43.02 42.01 1gth s PHE 408 CO -0.01 0.06 -0.07 0.14 0.70 0.00 0.00 175.22 176.04 1gth s VAL 409 N -3.10 0.52 0.61 -0.44 -7.23 -0.41 0.79 120.40 111.14 1gth s VAL 409 Ca 0.28 -0.49 -0.19 0.00 -1.81 0.00 0.00 61.98 59.78 1gth s VAL 409 Cb 0.06 -0.48 -0.02 0.00 0.56 0.00 0.00 36.38 36.50 1gth s VAL 409 CO 0.14 0.00 1.27 -0.13 -0.31 0.00 0.00 175.10 176.07 1gth s ARG 410 N -0.53 2.78 0.19 4.82 1.81 -1.00 -1.71 118.95 125.29 1gth s ARG 410 Ca -0.01 1.99 0.03 0.00 -1.72 0.00 0.00 55.73 56.03 1gth s ARG 410 Cb -0.04 -1.92 -0.05 0.00 -0.45 0.00 0.00 34.95 32.49 1gth s ARG 410 CO -0.00 -1.40 -0.03 0.95 -0.68 0.00 0.00 175.30 174.14 1gth s THR 411 N -1.46 0.95 -0.26 0.02 -4.23 -1.10 -1.68 115.64 107.89 1gth s THR 411 Ca 0.79 -2.02 -0.36 0.00 -1.18 0.00 0.00 61.69 58.92 1gth s THR 411 Cb -0.35 -2.12 0.16 0.00 1.34 0.00 0.00 72.50 71.53 1gth s THR 411 CO 0.38 -0.50 1.32 -1.83 -0.54 0.00 0.00 174.62 173.45 1gth s GLU 412 N -3.85 0.13 -0.04 3.99 -1.05 -0.48 -4.85 118.70 112.55 1gth s GLU 412 Ca 0.23 -0.03 -0.12 0.00 -0.15 0.00 0.00 54.97 54.90 1gth s GLU 412 Cb 0.05 0.06 -0.05 0.00 -0.44 0.00 0.00 34.13 33.75 1gth s GLU 412 CO 0.05 -0.05 0.31 -0.65 0.95 0.00 0.00 175.26 175.87 1gth s GLN 413 N -1.97 3.76 0.73 -4.83 -0.21 -1.26 -0.77 119.66 115.10 1gth s GLN 413 Ca 0.10 0.22 0.00 0.00 0.02 0.00 0.00 55.36 55.71 1gth s GLN 413 Cb -0.01 -3.21 0.14 0.00 1.00 0.00 0.00 33.01 30.92 1gth s GLN 413 CO -0.04 0.71 1.00 0.16 -2.12 0.00 0.00 175.29 175.00 1gth s ASP 414 N -1.03 4.31 0.63 5.90 1.47 -0.48 -4.91 116.67 122.56 1gth s ASP 414 Ca 0.21 -0.49 0.34 0.00 1.18 0.00 0.00 52.55 53.78 1gth s ASP 414 Cb -0.15 0.17 1.91 0.00 -0.34 0.00 0.00 42.92 44.51 1gth s ASP 414 CO 0.10 -1.90 2.16 -0.33 0.68 0.00 0.00 175.17 175.88 1gth h GLU 415 N -0.52 0.00 -0.01 2.11 5.08 -1.99 0.77 114.58 120.03 1gth h GLU 415 Ca -0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1gth h GLU 415 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1gth h GLU 415 CO 0.38 0.00 -0.10 0.25 -1.00 0.00 0.00 179.01 178.54 1gth n THR 416 N -3.38 0.00 -0.88 1.13 -2.24 -1.26 -4.91 114.28 102.74 1gth n THR 416 Ca -0.01 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1gth n THR 416 Cb 0.24 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 1gth n THR 416 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gth n GLY 417 N 1.23 0.60 3.83 3.38 0.00 0.26 -5.03 105.19 109.46 1gth n GLY 417 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1gth n GLY 417 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1gth s LYS 418 N -0.12 4.12 -0.10 1.61 2.20 -1.26 -4.80 119.74 121.38 1gth s LYS 418 Ca 0.00 0.71 -0.13 0.00 -0.36 0.00 0.00 55.97 56.19 1gth s LYS 418 Cb 0.00 -2.83 -0.05 0.00 -1.51 0.00 0.00 37.83 33.44 1gth s LYS 418 CO 0.00 0.39 0.31 -1.58 -0.36 0.00 0.00 175.35 174.11 1gth s TRP 419 N -1.57 3.56 0.12 4.03 0.52 -1.26 -1.38 118.94 122.96 1gth s TRP 419 Ca 0.43 0.72 0.07 0.00 0.02 0.00 0.00 56.10 57.34 1gth s TRP 419 Cb -0.15 -2.27 -0.04 0.00 -1.15 0.00 0.00 33.47 29.86 1gth s TRP 419 CO 0.20 0.43 -0.17 -0.80 0.02 0.00 0.00 176.95 176.63 1gth s ASN 420 N -0.21 2.29 -0.28 2.95 0.01 0.05 -4.96 114.94 114.79 1gth s ASN 420 Ca 0.19 -0.76 0.01 0.00 -0.71 0.00 0.00 52.86 51.59 1gth s ASN 420 Cb -0.14 -0.11 0.08 0.00 0.41 0.00 0.00 41.25 41.49 1gth s ASN 420 CO 0.07 -0.05 0.02 -1.61 -1.51 0.00 0.00 177.10 174.02 1gth s GLU 421 N -2.35 1.32 -0.43 -0.60 2.02 -1.26 -1.38 118.70 116.02 1gth s GLU 421 Ca 0.08 -1.24 -0.28 0.00 0.02 0.00 0.00 54.97 53.56 1gth s GLU 421 Cb -0.07 -2.58 -0.02 0.00 0.10 0.00 0.00 34.13 31.55 1gth s GLU 421 CO 0.04 -0.80 1.83 0.34 0.02 0.00 0.00 175.26 176.70 1gth s ASP 422 N 1.33 5.64 0.63 -0.19 2.15 -0.67 -4.85 116.67 120.71 1gth s ASP 422 Ca 0.03 0.97 0.38 0.00 0.43 0.00 0.00 52.55 54.36 1gth s ASP 422 Cb -0.18 -2.53 2.13 0.00 -0.30 0.00 0.00 42.92 42.04 1gth s ASP 422 CO -0.12 -1.97 2.31 -0.33 -0.17 0.00 0.00 175.17 174.89 1gth h GLU 423 N 13.78 0.00 0.06 4.34 4.39 -1.97 -2.80 114.58 132.37 1gth h GLU 423 Ca -0.31 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.13 1gth h GLU 423 Cb 1.17 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.83 1gth h GLU 423 CO 1.10 0.00 -1.10 -0.44 -1.16 0.00 0.00 179.01 177.41 1gth h ASP 424 N 0.00 0.64 -1.38 1.42 3.32 -1.97 -3.40 116.42 115.04 1gth h ASP 424 Ca -0.00 -0.57 -0.65 0.00 0.02 0.00 0.00 57.03 55.83 1gth h ASP 424 Cb 0.02 -0.20 -0.12 0.00 0.22 0.00 0.00 39.33 39.25 1gth h ASP 424 CO 0.00 1.39 1.53 -1.10 -1.72 0.00 0.00 179.24 179.34 1gth s GLN 425 N -3.07 3.73 0.26 3.56 -0.21 -1.06 -4.99 119.66 117.88 1gth s GLN 425 Ca -0.07 -1.58 -0.14 0.00 0.02 0.00 0.00 55.36 53.59 1gth s GLN 425 Cb 0.07 -5.29 -0.08 0.00 1.00 0.00 0.00 33.01 28.71 1gth s GLN 425 CO 0.89 -2.10 0.66 0.96 -2.12 0.00 0.00 175.29 173.58 1gth s ILE 426 N 4.08 4.75 -0.08 1.08 -4.36 -1.26 -2.39 121.20 123.02 1gth s ILE 426 Ca 0.45 0.86 0.03 0.00 -0.26 0.00 0.00 60.65 61.73 1gth s ILE 426 Cb -0.00 -3.67 0.01 0.00 1.25 0.00 0.00 42.46 40.05 1gth s ILE 426 CO -0.05 -0.03 -0.15 -0.69 0.24 0.00 0.00 174.94 174.26 1gth s VAL 427 N -1.79 1.38 -0.30 8.37 1.01 0.24 -4.94 120.40 124.37 1gth s VAL 427 Ca 0.48 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.75 1gth s VAL 427 Cb -0.12 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 1gth s VAL 427 CO 0.19 0.41 0.15 -1.00 0.00 0.00 0.00 175.10 174.85 1gth s HIS 428 N 0.63 3.17 -0.12 5.22 3.76 -1.26 -0.49 115.29 126.21 1gth s HIS 428 Ca -0.15 -0.53 0.03 0.00 -0.15 0.00 0.00 55.06 54.27 1gth s HIS 428 Cb -0.16 -2.35 0.00 0.00 1.11 0.00 0.00 32.58 31.18 1gth s HIS 428 CO 0.04 -0.43 -0.22 -1.17 -0.85 0.00 0.00 174.74 172.11 1gth s LEU 429 N 1.62 2.16 0.53 0.89 2.96 -0.64 -4.99 118.68 121.21 1gth s LEU 429 Ca 0.05 -0.55 -0.19 0.00 -0.22 0.00 0.00 54.13 53.21 1gth s LEU 429 Cb -0.17 -1.44 -0.06 0.00 0.50 0.00 0.00 46.19 45.02 1gth s LEU 429 CO 0.06 0.13 1.10 -0.75 -1.32 0.00 0.00 176.35 175.57 1gth s LYS 430 N 0.50 3.47 -0.29 1.98 2.20 -1.26 -0.51 119.74 125.82 1gth s LYS 430 Ca -0.14 1.51 -0.26 0.00 -0.36 0.00 0.00 55.97 56.72 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 -0.74 1.35 0.00 -0.36 0.00 0.00 175.35 175.66 1gth s ALA 431 N -1.89 -2.16 -0.08 3.13 0.00 -0.86 -4.81 121.76 115.09 1gth s ALA 431 Ca 0.70 1.73 0.17 0.00 0.00 0.00 0.00 51.96 54.57 1gth s ALA 431 Cb -0.21 -1.65 -0.25 0.00 0.00 0.00 0.00 23.12 21.00 1gth s ALA 431 CO 0.26 -0.15 0.26 -0.25 0.00 0.00 0.00 175.76 175.88 1gth n ASP 432 N 1.49 0.82 -3.88 0.00 9.92 0.44 -2.71 116.55 122.63 1gth n ASP 432 Ca -0.09 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.04 1gth n ASP 432 Cb 0.57 1.46 -0.14 0.00 -0.64 0.00 0.00 41.12 42.37 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 -2.91 0.08 -0.07 2.53 1.01 -0.90 -4.41 120.40 115.73 1gth s VAL 433 Ca -0.07 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.89 1gth s VAL 433 Cb 0.09 -0.09 0.01 0.00 0.00 0.00 0.00 36.38 36.40 1gth s VAL 433 CO 0.73 0.03 -0.11 -0.69 0.00 0.00 0.00 175.10 175.06 1gth s VAL 434 N 0.02 1.10 -0.15 2.92 1.01 0.00 -0.42 120.40 124.88 1gth s VAL 434 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1gth s VAL 434 Cb -0.01 -1.02 0.03 0.00 0.00 0.00 0.00 36.38 35.38 1gth s VAL 434 CO -0.00 0.35 -0.12 -0.63 0.00 0.00 0.00 175.10 174.70 1gth s ILE 435 N 0.78 1.43 -0.10 2.22 1.01 0.47 -0.72 121.20 126.29 1gth s ILE 435 Ca -0.12 -0.62 -0.17 0.00 0.00 0.00 0.00 60.65 59.74 1gth s ILE 435 Cb -0.15 -1.41 -0.05 0.00 0.01 0.00 0.00 42.46 40.86 1gth s ILE 435 CO 0.02 0.37 0.43 -0.94 0.00 0.00 0.00 174.94 174.83 1gth s SER 436 N 1.53 6.67 -0.50 3.58 1.04 0.19 -0.73 113.70 125.48 1gth s SER 436 Ca 0.04 0.80 0.08 0.00 0.48 0.00 0.00 55.95 57.34 1gth s SER 436 Cb -0.13 -2.26 0.33 0.00 0.10 0.00 0.00 66.02 64.05 1gth s SER 436 CO -0.10 0.09 0.82 0.00 0.98 0.00 0.00 173.24 175.03 1gth n ALA 437 N 3.26 3.56 1.56 5.32 0.00 -0.48 -0.22 120.51 133.51 1gth n ALA 437 Ca -0.09 -4.18 0.13 0.00 0.00 0.00 0.00 53.44 49.29 1gth n ALA 437 Cb 0.52 -0.82 0.55 0.00 0.00 0.00 0.00 19.45 19.70 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 0.16 0.07 0.00 0.00 0.99 -1.26 -4.64 117.46 112.77 1gth n PHE 438 Ca 0.28 -0.03 0.00 0.00 -0.00 0.00 0.00 57.45 57.70 1gth n PHE 438 Cb 0.49 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.97 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 1.08 -0.64 3.21 1.37 0.00 -1.26 -4.78 105.19 104.17 1gth n GLY 439 Ca 0.18 -2.20 -0.12 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 -3.77 1.32 0.31 1.61 0.01 -1.26 -1.11 113.70 110.81 1gth s SER 440 Ca 0.00 -1.05 -0.10 0.00 1.31 0.00 0.00 55.95 56.12 1gth s SER 440 Cb 0.00 0.07 0.01 0.00 0.21 0.00 0.00 66.02 66.31 1gth s SER 440 CO 0.00 -0.46 0.55 0.68 0.41 0.00 0.00 173.24 174.42 1gth s VAL 441 N -3.56 0.00 -0.27 3.43 -7.23 0.27 -4.76 120.40 108.29 1gth s VAL 441 Ca 0.16 -1.39 0.02 0.00 -1.81 0.00 0.00 61.98 58.96 1gth s VAL 441 Cb 0.05 -2.50 0.06 0.00 0.56 0.00 0.00 36.38 34.55 1gth s VAL 441 CO -0.02 0.00 -0.08 -0.22 -0.31 0.00 0.00 175.10 174.47 1gth s LEU 442 N -3.11 3.61 0.00 1.32 2.96 -1.26 -1.42 118.68 120.78 1gth s LEU 442 Ca 0.24 -1.43 0.00 0.00 -0.22 0.00 0.00 54.13 52.72 1gth s LEU 442 Cb -0.02 -1.58 0.00 0.00 0.50 0.00 0.00 46.19 45.09 1gth s LEU 442 CO 0.14 -0.22 0.00 0.54 -1.32 0.00 0.00 176.35 175.49 1gth n ARG 443 N 4.45 2.23 -1.42 1.98 1.74 -1.26 -5.01 116.66 119.37 1gth n ARG 443 Ca -0.13 0.00 -0.57 0.00 -0.77 0.00 0.00 57.85 56.38 1gth n ARG 443 Cb 0.42 -0.80 -0.09 0.00 -1.02 0.00 0.00 32.46 30.97 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 -1.46 1.50 0.25 0.55 -0.08 -1.26 -4.81 116.55 111.24 1gth n ASP 444 Ca 0.00 0.69 0.08 0.00 -1.51 0.00 0.00 54.79 54.04 1gth n ASP 444 Cb 0.30 -1.06 0.62 0.00 2.34 0.00 0.00 41.12 43.32 1gth n ASP 444 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1gth h PRO 445 N 9.57 0.00 -0.08 -0.67 0.13 -1.99 -1.67 132.00 137.30 1gth h PRO 445 Ca -0.24 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.81 1gth h PRO 445 Cb 1.37 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.49 1gth h PRO 445 CO 1.04 0.07 -0.31 0.87 -0.23 0.00 0.00 178.00 179.44 1gth h LYS 446 N 0.00 0.15 0.03 0.86 1.57 -1.98 -0.68 116.57 116.51 1gth h LYS 446 Ca -0.00 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1gth h LYS 446 Cb 0.12 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1gth h LYS 446 CO 0.01 0.45 -0.26 0.28 -0.57 0.00 0.00 179.45 179.36 1gth h VAL 447 N 0.13 1.68 -0.67 0.50 2.07 -1.58 0.20 116.25 118.58 1gth h VAL 447 Ca 0.02 -2.38 0.05 0.00 0.82 0.00 0.00 66.70 65.20 1gth h VAL 447 Cb 0.62 3.29 -0.04 0.00 -1.52 0.00 0.00 31.29 33.63 1gth h VAL 447 CO 0.04 0.62 0.44 0.11 0.02 0.00 0.00 177.57 178.80 1gth h LYS 448 N -0.86 0.72 -0.37 1.57 1.57 -1.34 -1.88 116.57 115.98 1gth h LYS 448 Ca -0.05 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.60 1gth h LYS 448 Cb 1.16 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 1gth h LYS 448 CO 0.02 0.48 -0.13 1.49 -0.57 0.00 0.00 179.45 180.74 1gth h GLU 449 N 0.75 0.67 0.00 3.15 4.57 -1.22 -2.28 114.58 120.22 1gth h GLU 449 Ca 0.28 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1gth h GLU 449 Cb 0.16 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1gth h GLU 449 CO -0.08 0.78 0.00 0.00 -1.18 0.00 0.00 179.01 178.53 1gth n ALA 450 N -2.49 1.39 0.88 2.92 0.00 -0.71 -1.64 120.51 120.86 1gth n ALA 450 Ca 0.01 0.13 0.11 0.00 0.00 0.00 0.00 53.44 53.69 1gth n ALA 450 Cb 0.36 -1.34 0.29 0.00 0.00 0.00 0.00 19.45 18.76 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 -2.21 2.48 -4.77 0.00 4.77 -0.86 -1.78 117.00 114.63 1gth n LEU 451 Ca 0.01 -1.02 -0.40 0.00 -0.03 0.00 0.00 56.01 54.57 1gth n LEU 451 Cb 0.14 -0.14 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1gth n LEU 451 CO 0.15 0.51 1.07 -0.55 -1.33 0.00 0.00 177.39 177.24 1gth s SER 452 N -1.61 6.09 -0.42 -1.43 0.15 -0.65 -1.32 113.70 114.52 1gth s SER 452 Ca 0.35 2.92 0.05 0.00 0.70 0.00 0.00 55.95 59.97 1gth s SER 452 Cb 0.20 -2.66 0.56 0.00 -1.71 0.00 0.00 66.02 62.41 1gth s SER 452 CO 0.29 -1.03 1.72 -0.81 1.20 0.00 0.00 173.24 174.62 1gth n PRO 453 N 0.07 2.26 -1.87 5.44 -0.04 -1.26 -4.64 135.00 134.95 1gth n PRO 453 Ca 0.04 -3.21 -0.38 0.00 -0.04 0.00 0.00 63.50 59.91 1gth n PRO 453 Cb 0.41 -2.07 0.04 0.00 -0.04 0.00 0.00 33.50 31.84 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 -3.62 2.28 0.23 0.52 -4.36 -0.43 -4.94 121.20 110.87 1gth s ILE 454 Ca 0.53 0.20 -0.30 0.00 -0.26 0.00 0.00 60.65 60.83 1gth s ILE 454 Cb 0.45 -3.10 -0.09 0.00 1.25 0.00 0.00 42.46 40.98 1gth s ILE 454 CO 0.04 -0.01 1.01 -0.75 0.24 0.00 0.00 174.94 175.47 1gth s LYS 455 N -3.00 4.74 0.10 0.37 2.20 -1.26 -4.98 119.74 117.92 1gth s LYS 455 Ca 0.73 1.61 0.05 0.00 -0.36 0.00 0.00 55.97 58.00 1gth s LYS 455 Cb -0.37 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 32.65 1gth s LYS 455 CO 0.43 0.34 -0.01 -0.06 -0.36 0.00 0.00 175.35 175.69 1gth s PHE 456 N -0.93 2.95 0.19 4.03 0.40 -1.26 -1.18 117.98 122.17 1gth s PHE 456 Ca 0.44 -0.05 0.01 0.00 -0.60 0.00 0.00 56.93 56.72 1gth s PHE 456 Cb -0.28 -1.51 0.04 0.00 0.51 0.00 0.00 43.02 41.78 1gth s PHE 456 CO 0.35 0.48 0.26 0.27 0.70 0.00 0.00 175.22 177.27 1gth n ASN 457 N 0.49 0.42 0.00 1.36 0.23 -0.24 -4.80 115.26 112.73 1gth n ASN 457 Ca -0.11 -1.34 0.08 0.00 -0.53 0.00 0.00 54.58 52.68 1gth n ASN 457 Cb 0.52 -0.16 0.39 0.00 -2.08 0.00 0.00 39.78 38.46 1gth n ASN 457 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 1gth n ARG 458 N -1.46 0.12 0.00 -3.83 1.85 -1.26 -1.11 116.66 110.97 1gth n ARG 458 Ca 0.04 0.17 0.15 0.00 -1.00 0.00 0.00 57.85 57.21 1gth n ARG 458 Cb 0.16 -1.50 0.66 0.00 -1.05 0.00 0.00 32.46 30.73 1gth n ARG 458 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 1gth n TRP 459 N -1.40 0.00 -2.78 2.89 8.01 -1.26 -4.89 117.44 118.01 1gth n TRP 459 Ca 0.06 0.00 -0.14 0.00 -1.31 0.00 0.00 57.50 56.11 1gth n TRP 459 Cb 0.17 -0.08 0.03 0.00 -2.01 0.00 0.00 31.31 29.41 1gth n TRP 459 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1gth n ASP 460 N -0.64 -4.37 -4.22 -0.99 2.03 -0.27 -5.03 116.55 103.07 1gth n ASP 460 Ca 0.18 -0.20 -0.18 0.00 0.52 0.00 0.00 54.79 55.12 1gth n ASP 460 Cb 0.26 -3.20 -0.11 0.00 -0.72 0.00 0.00 41.12 37.35 1gth n ASP 460 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1gth s LEU 461 N -4.31 2.37 0.23 -2.67 1.43 -1.26 -4.91 118.68 109.57 1gth s LEU 461 Ca 0.21 -0.76 -0.32 0.00 -1.03 0.00 0.00 54.13 52.23 1gth s LEU 461 Cb -0.09 -0.53 -0.13 0.00 0.03 0.00 0.00 46.19 45.47 1gth s LEU 461 CO 0.26 -0.13 1.51 -0.81 0.23 0.00 0.00 176.35 177.40 1gth n PRO 462 N 0.72 2.25 -3.15 1.29 -0.04 -1.26 -1.08 135.00 133.73 1gth n PRO 462 Ca -0.17 0.80 -0.39 0.00 -0.04 0.00 0.00 63.50 63.70 1gth n PRO 462 Cb 0.56 -2.52 -0.05 0.00 -0.04 0.00 0.00 33.50 31.45 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 -0.03 4.39 0.08 0.54 2.56 -0.33 -4.77 118.70 121.14 1gth s GLU 463 Ca 0.70 0.74 0.02 0.00 0.00 0.00 0.00 54.97 56.43 1gth s GLU 463 Cb -0.61 -3.42 -0.04 0.00 2.00 0.00 0.00 34.13 32.06 1gth s GLU 463 CO 0.46 0.16 -0.07 0.14 -0.56 0.00 0.00 175.26 175.38 1gth s VAL 464 N 0.52 0.66 -0.07 3.70 -7.23 -1.26 -4.11 120.40 112.62 1gth s VAL 464 Ca 0.33 -1.66 -0.30 0.00 -1.81 0.00 0.00 61.98 58.55 1gth s VAL 464 Cb -0.17 -1.34 -0.04 0.00 0.56 0.00 0.00 36.38 35.39 1gth s VAL 464 CO 0.16 -0.71 1.34 -0.62 -0.31 0.00 0.00 175.10 174.96 1gth s ASP 465 N -2.56 6.91 0.67 4.85 3.68 -0.52 -4.89 116.67 124.80 1gth s ASP 465 Ca 0.05 1.93 0.39 0.00 2.13 0.00 0.00 52.55 57.05 1gth s ASP 465 Cb 0.00 -2.55 2.14 0.00 -1.45 0.00 0.00 42.92 41.06 1gth s ASP 465 CO -0.03 -0.72 2.21 1.55 0.13 0.00 0.00 175.17 178.31 1gth h PRO 466 N 8.04 0.00 0.06 4.34 0.13 -1.97 0.48 132.00 143.08 1gth h PRO 466 Ca -0.34 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.42 1gth h PRO 466 Cb 1.15 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.24 1gth h PRO 466 CO 0.92 0.00 -2.17 -1.91 -0.23 0.00 0.00 178.00 174.61 1gth n GLU 467 N -3.03 0.71 -0.01 0.86 4.07 -1.26 -4.57 120.64 117.41 1gth n GLU 467 Ca -0.03 0.21 0.11 0.00 -0.06 0.00 0.00 57.16 57.39 1gth n GLU 467 Cb 0.19 -1.64 -0.16 0.00 -0.06 0.00 0.00 31.44 29.77 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 -3.33 0.00 -1.24 6.31 -2.24 -1.08 -4.87 114.28 107.83 1gth n THR 468 Ca -0.36 -0.38 -0.08 0.00 -2.27 0.00 0.00 64.05 60.96 1gth n THR 468 Cb 1.03 0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 69.47 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 -2.08 -1.02 -3.19 -0.78 2.81 0.17 -4.47 117.12 108.56 1gth n MET 469 Ca -0.02 0.73 -0.39 0.00 -1.81 0.00 0.00 57.70 56.21 1gth n MET 469 Cb 0.51 -4.73 -0.06 0.00 -0.71 0.00 0.00 33.22 28.23 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 -2.43 4.31 0.18 0.03 0.74 -1.25 -1.27 119.66 119.97 1gth s GLN 470 Ca 0.00 0.84 -0.02 0.00 0.05 0.00 0.00 55.36 56.23 1gth s GLN 470 Cb 0.00 -3.27 0.04 0.00 1.10 0.00 0.00 33.01 30.88 1gth s GLN 470 CO 0.00 0.55 0.25 0.25 -0.55 0.00 0.00 175.29 175.78 1gth n THR 471 N 1.98 0.00 0.31 -0.34 -2.24 -0.13 -1.44 114.28 112.42 1gth n THR 471 Ca -0.08 -0.25 0.17 0.00 -2.27 0.00 0.00 64.05 61.61 1gth n THR 471 Cb 0.50 -1.64 0.75 0.00 -2.10 0.00 0.00 70.33 67.84 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 -0.27 0.00 -3.66 3.42 4.64 -1.86 -3.38 113.55 112.45 1gth h SER 472 Ca -0.08 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.55 1gth h SER 472 Cb 0.25 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.15 1gth h SER 472 CO 0.07 0.00 -0.45 -1.61 -0.87 0.00 0.00 176.83 173.97 1gth s GLU 473 N -3.69 3.38 0.34 4.77 0.41 -1.26 -4.98 118.70 117.67 1gth s GLU 473 Ca 0.00 -0.71 0.12 0.00 -0.41 0.00 0.00 54.97 53.97 1gth s GLU 473 Cb 0.10 -3.85 1.05 0.00 -1.78 0.00 0.00 34.13 29.65 1gth s GLU 473 CO 0.46 -0.52 1.60 -1.35 -0.49 0.00 0.00 175.26 174.96 1gth h PRO 474 N 8.52 0.10 -0.03 0.39 0.11 -1.98 -0.38 132.00 138.73 1gth h PRO 474 Ca -0.30 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1gth h PRO 474 Cb 1.15 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1gth h PRO 474 CO 0.66 0.06 0.00 -2.67 -0.21 0.00 0.00 178.00 175.84 1gth n TRP 475 N -5.27 0.02 -4.48 0.65 4.27 -1.26 -4.82 117.44 106.55 1gth n TRP 475 Ca 0.31 -0.01 -0.33 0.00 -3.89 0.00 0.00 57.50 53.57 1gth n TRP 475 Cb 1.01 0.00 -0.14 0.00 -1.36 0.00 0.00 31.31 30.81 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 3.06 0.26 -1.67 1.01 -0.15 -1.01 120.40 119.92 1gth s VAL 476 Ca 0.40 -0.64 0.11 0.00 0.00 0.00 0.00 61.98 61.85 1gth s VAL 476 Cb 0.21 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 1gth s VAL 476 CO 0.33 0.50 -0.18 -0.36 0.00 0.00 0.00 175.10 175.39 1gth s PHE 477 N 0.74 2.12 0.02 5.22 0.40 0.67 -0.96 117.98 126.19 1gth s PHE 477 Ca -0.05 -0.40 -0.07 0.00 -0.60 0.00 0.00 56.93 55.80 1gth s PHE 477 Cb -0.15 -0.93 -0.00 0.00 0.51 0.00 0.00 43.02 42.44 1gth s PHE 477 CO 0.02 0.61 0.14 0.00 0.70 0.00 0.00 175.22 176.69 1gth s ALA 478 N -2.64 -0.27 0.12 5.36 0.00 -0.39 0.49 121.76 124.43 1gth s ALA 478 Ca 0.28 -0.28 -0.26 0.00 0.00 0.00 0.00 51.96 51.69 1gth s ALA 478 Cb -0.04 0.19 0.07 0.00 0.00 0.00 0.00 23.12 23.35 1gth s ALA 478 CO 0.12 -0.28 0.98 0.20 0.00 0.00 0.00 175.76 176.79 1gth s GLY 479 N -1.77 -0.27 0.00 0.00 0.00 -0.90 -4.77 107.32 99.61 1gth s GLY 479 Ca -0.10 0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.89 1gth s GLY 479 CO -0.01 0.05 0.00 0.61 0.00 0.00 0.00 173.10 173.74 1gth n GLY 480 N -0.45 -1.50 0.38 0.20 0.00 -1.26 -4.24 105.19 98.32 1gth n GLY 480 Ca -0.06 -1.59 0.14 0.00 0.00 0.00 0.00 46.02 44.51 1gth n GLY 480 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1gth h ASP 481 N 0.59 0.54 -0.25 1.61 5.19 -1.92 -2.06 116.42 120.12 1gth h ASP 481 Ca 0.00 0.04 0.07 0.00 -0.62 0.00 0.00 57.03 56.52 1gth h ASP 481 Cb 0.00 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.43 1gth h ASP 481 CO 0.00 0.26 0.20 -0.29 -3.12 0.00 0.00 179.24 176.29 1gth h ILE 482 N 0.56 0.78 0.00 0.35 6.09 -1.74 -0.71 117.51 122.84 1gth h ILE 482 Ca 0.43 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.92 1gth h ILE 482 Cb 0.85 0.86 -0.00 0.00 0.47 0.00 0.00 36.82 39.00 1gth h ILE 482 CO -0.18 0.00 -0.08 0.58 -3.07 0.00 0.00 178.15 175.40 1gth h VAL 483 N 0.00 0.02 0.00 2.19 2.07 -1.59 -3.38 116.25 115.55 1gth h VAL 483 Ca 0.12 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1gth h VAL 483 Cb 0.51 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1gth h VAL 483 CO -0.00 0.01 0.00 0.61 0.02 0.00 0.00 177.57 178.21 1gth n GLY 484 N 1.11 0.71 0.15 2.17 0.00 -0.28 -4.91 105.19 104.15 1gth n GLY 484 Ca 0.04 0.00 -0.25 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 -2.56 0.59 -2.03 1.61 2.81 -1.26 -4.97 117.12 111.31 1gth n MET 485 Ca 0.00 0.22 -0.40 0.00 -1.81 0.00 0.00 57.70 55.71 1gth n MET 485 Cb 0.00 -1.47 -0.01 0.00 -0.71 0.00 0.00 33.22 31.03 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 -2.50 3.39 0.00 3.04 0.00 -1.26 -4.92 121.76 119.51 1gth s ALA 486 Ca -0.37 1.30 0.00 0.00 0.00 0.00 0.00 51.96 52.89 1gth s ALA 486 Cb 0.13 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1gth s ALA 486 CO 0.51 -0.80 0.46 0.09 0.00 0.00 0.00 175.76 176.02 1gth n ASN 487 N 0.41 0.86 -4.20 0.00 5.03 -1.26 -4.68 115.26 111.42 1gth n ASN 487 Ca 0.02 -1.15 -0.12 0.00 0.87 0.00 0.00 54.58 54.20 1gth n ASN 487 Cb 0.42 0.00 -0.10 0.00 -1.02 0.00 0.00 39.78 39.08 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 -0.15 0.06 0.10 3.41 -4.23 -1.26 -5.05 115.64 108.52 1gth s THR 488 Ca 0.00 -1.98 -0.18 0.00 -1.18 0.00 0.00 61.69 58.35 1gth s THR 488 Cb 0.00 -2.43 -0.07 0.00 1.34 0.00 0.00 72.50 71.35 1gth s THR 488 CO 0.00 -0.08 1.54 0.74 -0.54 0.00 0.00 174.62 176.28 1gth h THR 489 N 2.65 1.25 -0.62 3.99 2.02 -1.98 -2.22 112.91 118.00 1gth h THR 489 Ca -0.36 -0.90 -0.04 0.00 0.77 0.00 0.00 66.41 65.88 1gth h THR 489 Cb 1.24 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 68.90 1gth h THR 489 CO 0.55 0.29 0.23 1.62 0.37 0.00 0.00 175.52 178.57 1gth h VAL 490 N 0.30 1.22 -0.11 3.16 3.04 -1.96 0.29 116.25 122.18 1gth h VAL 490 Ca 0.08 -0.73 -0.14 0.00 -1.01 0.00 0.00 66.70 64.91 1gth h VAL 490 Cb 0.41 0.50 -0.01 0.00 -2.01 0.00 0.00 31.29 30.18 1gth h VAL 490 CO 0.01 0.29 -0.53 -0.33 -1.01 0.00 0.00 177.57 176.00 1gth h GLU 491 N 0.90 0.32 -0.31 4.17 5.08 -1.90 -1.08 114.58 121.75 1gth h GLU 491 Ca 0.21 -0.19 -0.14 0.00 -1.00 0.00 0.00 59.36 58.24 1gth h GLU 491 Cb 0.20 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1gth h GLU 491 CO -0.02 0.77 -0.37 0.77 -1.00 0.00 0.00 179.01 179.17 1gth h SER 492 N 0.25 0.76 -0.60 1.42 0.02 -0.80 -0.76 113.55 113.83 1gth h SER 492 Ca 0.01 -0.33 -0.05 0.00 -0.84 0.00 0.00 61.79 60.58 1gth h SER 492 Cb 1.02 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.32 1gth h SER 492 CO 0.09 1.05 0.18 0.58 -1.14 0.00 0.00 176.83 177.59 1gth h VAL 493 N 0.60 1.24 -0.42 2.27 2.07 -0.73 -2.54 116.25 118.75 1gth h VAL 493 Ca 0.06 -0.84 -0.07 0.00 0.82 0.00 0.00 66.70 66.66 1gth h VAL 493 Cb 0.90 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1gth h VAL 493 CO 0.08 0.32 -0.04 -1.13 0.02 0.00 0.00 177.57 176.82 1gth h ASN 494 N 0.86 0.67 -0.38 0.57 -1.24 -0.86 -1.07 115.58 114.13 1gth h ASN 494 Ca 0.19 -0.16 0.02 0.00 0.71 0.00 0.00 56.30 57.06 1gth h ASN 494 Cb 0.30 -0.18 -0.03 0.00 0.73 0.00 0.00 38.32 39.14 1gth h ASN 494 CO -0.00 0.76 0.21 0.44 -1.29 0.00 0.00 177.43 177.54 1gth h ASP 495 N 0.65 0.32 -0.34 1.15 5.19 -0.81 0.42 116.42 123.00 1gth h ASP 495 Ca 0.12 0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 56.46 1gth h ASP 495 Cb 0.46 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.90 1gth h ASP 495 CO 0.02 0.24 -0.06 1.23 -3.12 0.00 0.00 179.24 177.55 1gth h GLY 496 N 0.42 0.80 0.90 2.75 0.00 -1.12 -0.49 103.07 106.34 1gth h GLY 496 Ca 0.15 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 1gth h GLY 496 CO -0.09 0.52 0.05 1.70 0.00 0.00 0.00 176.54 178.72 1gth h LYS 497 N 0.68 0.55 -0.36 4.80 3.64 -0.56 -0.85 116.57 124.47 1gth h LYS 497 Ca 0.13 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1gth h LYS 497 Cb 0.51 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 1gth h LYS 497 CO 0.03 0.64 0.12 0.37 -2.27 0.00 0.00 179.45 178.34 1gth h GLN 498 N 0.37 0.55 -0.67 1.90 5.75 0.04 -3.03 115.11 120.02 1gth h GLN 498 Ca 0.10 -0.11 -0.06 0.00 -0.15 0.00 0.00 58.65 58.43 1gth h GLN 498 Cb 0.36 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.80 1gth h GLN 498 CO 0.01 0.56 0.17 0.00 -2.65 0.00 0.00 178.83 176.91 1gth h ALA 499 N 0.97 1.03 -0.99 3.38 0.00 -0.99 -3.08 119.26 119.57 1gth h ALA 499 Ca 0.12 -0.23 0.15 0.00 0.00 0.00 0.00 54.91 54.94 1gth h ALA 499 Cb 0.23 -0.26 -0.09 0.00 0.00 0.00 0.00 17.79 17.66 1gth h ALA 499 CO -0.01 0.64 0.61 0.66 0.00 0.00 0.00 179.25 181.15 1gth h SER 500 N 1.01 0.85 -0.38 0.00 4.64 -1.02 0.10 113.55 118.76 1gth h SER 500 Ca 0.21 0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 61.55 1gth h SER 500 Cb 0.34 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1gth h SER 500 CO -0.00 0.40 0.05 -0.25 -0.87 0.00 0.00 176.83 176.15 1gth h TRP 501 N 0.89 0.68 0.00 4.77 2.91 -1.58 -1.81 115.95 121.81 1gth h TRP 501 Ca 0.52 -0.10 -0.05 0.00 1.13 0.00 0.00 58.89 60.39 1gth h TRP 501 Cb 0.64 -0.18 -0.01 0.00 -0.51 0.00 0.00 29.16 29.10 1gth h TRP 501 CO -0.01 0.69 -0.23 1.88 -1.03 0.00 0.00 178.44 179.74 1gth h TYR 502 N 0.47 0.00 -0.29 2.65 -1.99 -1.40 -0.94 116.97 115.46 1gth h TYR 502 Ca 0.11 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.68 1gth h TYR 502 Cb 0.39 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.12 1gth h TYR 502 CO 0.03 0.23 -0.45 0.82 -0.00 0.00 0.00 178.16 178.79 1gth h ILE 503 N 0.00 1.29 -0.28 -2.88 2.04 -0.74 -0.10 117.51 116.84 1gth h ILE 503 Ca -0.00 -1.64 -0.00 0.00 1.00 0.00 0.00 64.86 64.22 1gth h ILE 503 Cb 0.99 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 1gth h ILE 503 CO 0.03 0.53 0.16 -0.74 0.00 0.00 0.00 178.15 178.14 1gth h HIS 504 N 0.59 0.38 -0.46 1.37 2.76 -1.06 0.63 115.15 119.36 1gth h HIS 504 Ca 0.03 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1gth h HIS 504 Cb 1.05 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.87 1gth h HIS 504 CO 0.07 0.29 0.27 -0.22 -1.30 0.00 0.00 177.93 177.04 1gth h LYS 505 N 0.35 0.62 0.40 5.26 3.64 -1.06 -1.04 116.57 124.75 1gth h LYS 505 Ca 0.10 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1gth h LYS 505 Cb 0.03 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1gth h LYS 505 CO -0.02 0.47 -0.22 -0.92 -2.27 0.00 0.00 179.45 176.49 1gth h TYR 506 N 0.60 -0.57 -0.18 1.91 3.20 -0.63 -1.91 116.97 119.40 1gth h TYR 506 Ca 0.16 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.05 1gth h TYR 506 Cb 0.01 0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 1gth h TYR 506 CO -0.03 -0.35 0.00 0.82 -1.64 0.00 0.00 178.16 176.97 1gth h ILE 507 N -0.58 0.88 -0.68 1.81 2.04 -0.75 -1.47 117.51 118.75 1gth h ILE 507 Ca -0.05 -0.02 0.08 0.00 1.00 0.00 0.00 64.86 65.87 1gth h ILE 507 Cb 0.46 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 37.29 1gth h ILE 507 CO 0.07 0.01 0.35 1.56 0.00 0.00 0.00 178.15 180.14 1gth h GLN 508 N 0.06 0.59 -0.60 2.37 1.08 -1.16 -1.19 115.11 116.26 1gth h GLN 508 Ca 0.08 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 1gth h GLN 508 Cb 0.10 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.37 1gth h GLN 508 CO -0.14 0.39 0.31 0.00 -0.95 0.00 0.00 178.83 178.45 1gth h ALA 509 N 1.39 1.42 0.00 3.87 0.00 -0.82 0.36 119.26 125.48 1gth h ALA 509 Ca 0.32 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1gth h ALA 509 Cb 0.30 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1gth h ALA 509 CO -0.24 0.47 -0.07 1.96 0.00 0.00 0.00 179.25 181.38 1gth h GLN 510 N 0.84 0.00 -0.62 0.00 1.08 -0.18 -0.48 115.11 115.75 1gth h GLN 510 Ca 0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 1gth h GLN 510 Cb 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 1gth h GLN 510 CO -0.03 0.07 0.00 0.66 -0.95 0.00 0.00 178.83 178.57 1gth n TYR 511 N -3.49 1.46 -1.29 2.96 4.02 -0.37 -4.94 117.16 115.52 1gth n TYR 511 Ca -0.02 -0.63 -0.07 0.00 -0.01 0.00 0.00 57.90 57.17 1gth n TYR 511 Cb 0.19 -0.26 -0.03 0.00 -0.02 0.00 0.00 39.34 39.23 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 0.99 0.87 3.49 2.72 0.00 -0.19 -5.02 105.19 108.05 1gth n GLY 512 Ca 0.25 -0.71 -0.28 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.28 2.71 0.40 4.61 0.00 -0.03 -4.98 121.76 122.20 1gth s ALA 513 Ca 0.00 -1.43 0.08 0.00 0.00 0.00 0.00 51.96 50.61 1gth s ALA 513 Cb 0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 1gth s ALA 513 CO 0.00 0.54 0.33 -1.54 0.00 0.00 0.00 175.76 175.09 1gth s SER 514 N -2.38 4.96 0.16 0.00 1.04 -1.26 -2.37 113.70 113.86 1gth s SER 514 Ca 0.20 -0.77 0.06 0.00 0.48 0.00 0.00 55.95 55.92 1gth s SER 514 Cb -0.10 -0.60 -0.04 0.00 0.10 0.00 0.00 66.02 65.38 1gth s SER 514 CO 0.11 -0.59 -0.13 0.68 0.98 0.00 0.00 173.24 174.29 1gth s VAL 515 N -2.47 1.46 0.42 5.02 -7.23 -1.26 -4.98 120.40 111.34 1gth s VAL 515 Ca 0.46 -2.04 -0.24 0.00 -1.81 0.00 0.00 61.98 58.35 1gth s VAL 515 Cb -0.02 -1.86 -0.11 0.00 0.56 0.00 0.00 36.38 34.95 1gth s VAL 515 CO 0.27 -0.60 0.85 -1.54 -0.31 0.00 0.00 175.10 173.77 1gth n SER 516 N -0.09 0.50 0.01 4.85 3.41 -1.26 -4.87 113.62 116.18 1gth n SER 516 Ca -0.11 1.00 -0.02 0.00 -0.26 0.00 0.00 58.87 59.48 1gth n SER 516 Cb 0.60 -1.27 0.25 0.00 -0.26 0.00 0.00 64.21 63.53 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 1.27 1.24 -2.81 7.33 0.00 -2.06 -3.40 119.26 120.83 1gth h ALA 517 Ca -0.43 -0.27 -0.60 0.00 0.00 0.00 0.00 54.91 53.61 1gth h ALA 517 Cb 1.36 -0.13 -0.11 0.00 0.00 0.00 0.00 17.79 18.91 1gth h ALA 517 CO 0.55 0.49 -0.15 0.21 0.00 0.00 0.00 179.25 180.36 1gth s LYS 518 N -4.73 4.18 0.16 0.00 2.20 -1.26 -5.03 119.74 115.26 1gth s LYS 518 Ca -0.07 0.28 -0.34 0.00 -0.36 0.00 0.00 55.97 55.48 1gth s LYS 518 Cb 0.15 -3.54 -0.15 0.00 -1.51 0.00 0.00 37.83 32.77 1gth s LYS 518 CO 0.78 -0.07 1.40 -2.30 -0.36 0.00 0.00 175.35 174.79 1gth n PRO 519 N 4.56 1.66 -3.17 4.03 -0.02 -1.26 -4.95 135.00 135.85 1gth n PRO 519 Ca -0.07 0.60 -0.24 0.00 -2.02 0.00 0.00 63.50 61.76 1gth n PRO 519 Cb 0.51 -2.26 -0.05 0.00 -0.02 0.00 0.00 33.50 31.68 1gth n PRO 519 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1gth n GLU 520 N 2.56 1.95 -2.37 -0.52 1.02 -1.26 -5.07 120.64 116.94 1gth n GLU 520 Ca 0.16 -4.09 -0.42 0.00 -0.02 0.00 0.00 57.16 52.79 1gth n GLU 520 Cb 0.26 -1.89 -0.03 0.00 -0.02 0.00 0.00 31.44 29.76 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 -2.48 4.39 0.81 -4.62 1.43 -1.26 -4.98 118.68 111.97 1gth s LEU 521 Ca 0.42 2.11 -0.11 0.00 -1.03 0.00 0.00 54.13 55.51 1gth s LEU 521 Cb 0.24 -3.59 0.08 0.00 0.03 0.00 0.00 46.19 42.96 1gth s LEU 521 CO -0.09 -0.48 1.13 -2.84 0.23 0.00 0.00 176.35 174.31 1gth s PRO 522 N 0.80 1.81 0.53 1.29 0.02 -1.26 -5.05 135.00 133.14 1gth s PRO 522 Ca 0.58 1.43 -0.07 0.00 0.02 0.00 0.00 61.00 62.96 1gth s PRO 522 Cb -0.31 -1.83 0.12 0.00 0.02 0.00 0.00 34.50 32.50 1gth s PRO 522 CO 0.31 -2.02 0.72 1.28 -0.33 0.00 0.00 177.00 176.96 1gth n LEU 523 N -3.57 0.00 -4.74 -5.54 4.77 -1.26 -4.96 117.00 101.70 1gth n LEU 523 Ca 0.11 -0.92 -0.37 0.00 -0.03 0.00 0.00 56.01 54.80 1gth n LEU 523 Cb 0.52 -0.53 -0.07 0.00 -2.33 0.00 0.00 43.42 41.01 1gth n LEU 523 CO 0.50 -0.98 0.03 0.12 -1.33 0.00 0.00 177.39 175.73 1gth s PHE 524 N -2.43 3.49 0.11 -1.77 5.36 -1.26 -4.91 117.98 116.57 1gth s PHE 524 Ca 0.42 0.68 0.07 0.00 -0.96 0.00 0.00 56.93 57.13 1gth s PHE 524 Cb -0.01 -2.37 -0.04 0.00 -0.34 0.00 0.00 43.02 40.26 1gth s PHE 524 CO 0.29 0.26 -0.17 0.71 -1.46 0.00 0.00 175.22 174.85 1gth s TYR 525 N 0.36 1.54 0.23 10.12 1.51 -1.26 -4.87 117.35 124.98 1gth s TYR 525 Ca 0.19 -0.47 -0.01 0.00 -1.01 0.00 0.00 57.07 55.77 1gth s TYR 525 Cb -0.14 -0.83 -0.03 0.00 -0.11 0.00 0.00 41.96 40.85 1gth s TYR 525 CO 0.06 0.17 0.20 0.95 -1.11 0.00 0.00 175.55 175.82 1gth s THR 526 N -1.58 0.00 0.64 -0.71 -4.23 -1.26 -1.23 115.64 107.28 1gth s THR 526 Ca 0.06 -1.92 0.40 0.00 -1.18 0.00 0.00 61.69 59.04 1gth s THR 526 Cb -0.08 -2.47 0.42 0.00 1.34 0.00 0.00 72.50 71.70 1gth s THR 526 CO 0.04 0.00 2.33 -0.65 -0.54 0.00 0.00 174.62 175.79 1gth h PRO 527 N 2.49 0.00 -0.62 3.99 0.11 -1.94 -1.79 132.00 134.25 1gth h PRO 527 Ca -0.33 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.80 1gth h PRO 527 Cb 1.25 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 1gth h PRO 527 CO 0.48 0.00 0.41 0.28 -0.21 0.00 0.00 178.00 178.96 1gth h VAL 528 N 0.00 1.13 0.00 3.15 2.07 -1.94 -1.73 116.25 118.93 1gth h VAL 528 Ca 0.00 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1gth h VAL 528 Cb 0.03 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1gth h VAL 528 CO -0.00 0.15 0.00 0.44 0.02 0.00 0.00 177.57 178.18 1gth h ASP 529 N 0.80 0.00 0.62 0.57 3.45 -1.70 -1.75 116.42 118.40 1gth h ASP 529 Ca 0.24 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.70 1gth h ASP 529 Cb -0.02 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.75 1gth h ASP 529 CO -0.06 0.00 -0.34 0.18 -1.57 0.00 0.00 179.24 177.45 1gth n LEU 530 N -2.43 0.38 -4.72 1.55 4.77 -0.65 -4.90 117.00 111.00 1gth n LEU 530 Ca 0.00 0.13 -0.42 0.00 -0.03 0.00 0.00 56.01 55.69 1gth n LEU 530 Cb 0.15 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 40.90 1gth n LEU 530 CO 0.17 0.09 1.32 -0.69 -1.33 0.00 0.00 177.39 176.95 1gth s VAL 531 N -2.97 2.24 -0.24 4.08 1.01 -0.66 -4.95 120.40 118.91 1gth s VAL 531 Ca 0.13 0.17 -0.25 0.00 0.00 0.00 0.00 61.98 62.03 1gth s VAL 531 Cb 0.18 -3.11 -0.00 0.00 0.00 0.00 0.00 36.38 33.45 1gth s VAL 531 CO 0.64 0.01 0.86 -0.62 0.00 0.00 0.00 175.10 175.99 1gth s ASP 532 N 1.16 6.86 -0.20 3.32 -1.08 -1.26 -4.93 116.67 120.54 1gth s ASP 532 Ca 0.73 1.07 0.14 0.00 -0.52 0.00 0.00 52.55 53.97 1gth s ASP 532 Cb -0.48 -2.45 0.42 0.00 -1.46 0.00 0.00 42.92 38.96 1gth s ASP 532 CO 0.32 -0.54 1.30 2.30 0.52 0.00 0.00 175.17 179.07 1gth n ILE 533 N 5.27 2.22 -1.75 4.11 -5.35 -1.26 -4.55 119.36 118.05 1gth n ILE 533 Ca 0.06 -2.64 -0.31 0.00 -0.27 0.00 0.00 62.75 59.60 1gth n ILE 533 Cb 0.47 -0.26 0.05 0.00 -1.74 0.00 0.00 39.64 38.15 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 -2.76 5.47 -0.06 7.28 1.04 -1.22 -3.76 113.70 119.70 1gth s SER 534 Ca 0.39 1.35 -0.24 0.00 0.48 0.00 0.00 55.95 57.92 1gth s SER 534 Cb 0.35 -2.22 0.05 0.00 0.10 0.00 0.00 66.02 64.30 1gth s SER 534 CO -0.00 -1.35 0.54 0.54 0.98 0.00 0.00 173.24 173.95 1gth s VAL 535 N -3.21 0.02 -0.06 5.02 0.11 -0.57 -4.39 120.40 117.32 1gth s VAL 535 Ca 0.58 -0.15 0.01 0.00 -2.93 0.00 0.00 61.98 59.48 1gth s VAL 535 Cb -0.12 -0.84 -0.03 0.00 -1.53 0.00 0.00 36.38 33.85 1gth s VAL 535 CO 0.54 -0.09 -0.06 -1.61 -3.33 0.00 0.00 175.10 170.55 1gth s GLU 536 N -1.01 2.74 -0.20 1.54 2.02 -1.26 -0.87 118.70 121.67 1gth s GLU 536 Ca -0.10 -0.56 -0.10 0.00 0.02 0.00 0.00 54.97 54.23 1gth s GLU 536 Cb -0.02 -2.60 0.07 0.00 0.10 0.00 0.00 34.13 31.68 1gth s GLU 536 CO 0.07 0.66 0.47 1.41 0.02 0.00 0.00 175.26 177.89 1gth s MET 537 N -0.90 0.45 -1.47 1.61 1.75 -0.26 -4.91 119.30 115.57 1gth s MET 537 Ca 0.13 0.93 -0.12 0.00 -1.25 0.00 0.00 55.69 55.38 1gth s MET 537 Cb -0.11 0.08 0.08 0.00 2.84 0.00 0.00 34.83 37.72 1gth s MET 537 CO 0.02 -0.17 0.78 0.00 -0.65 0.00 0.00 175.02 175.00 1gth n ALA 538 N 4.47 -1.17 -0.98 4.11 0.00 -1.26 -0.70 120.51 124.98 1gth n ALA 538 Ca -0.20 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1gth n ALA 538 Cb 0.55 -3.85 0.00 0.00 0.00 0.00 0.00 19.45 16.15 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 -1.49 0.93 3.90 0.00 0.00 -1.26 -4.86 105.19 102.41 1gth n GLY 539 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.24 0.99 1.43 0.12 -5.09 118.68 120.24 1gth s LEU 540 Ca 0.00 0.34 -0.06 0.00 -1.03 0.00 0.00 54.13 53.38 1gth s LEU 540 Cb 0.00 -2.61 -0.02 0.00 0.03 0.00 0.00 46.19 43.59 1gth s LEU 540 CO 0.00 0.26 0.03 -0.54 0.23 0.00 0.00 176.35 176.34 1gth s LYS 541 N -1.94 3.53 -0.18 1.70 1.02 -1.26 -1.11 119.74 121.50 1gth s LYS 541 Ca 0.27 -0.55 -0.06 0.00 0.02 0.00 0.00 55.97 55.66 1gth s LYS 541 Cb -0.13 -3.23 -0.03 0.00 -0.52 0.00 0.00 37.83 33.93 1gth s LYS 541 CO 0.19 -0.21 0.02 -0.06 -0.92 0.00 0.00 175.35 174.36 1gth s PHE 542 N 1.56 3.12 0.37 3.18 0.40 -0.05 -4.79 117.98 121.78 1gth s PHE 542 Ca 0.06 -0.17 0.20 0.00 -0.60 0.00 0.00 56.93 56.42 1gth s PHE 542 Cb -0.15 -2.04 1.07 0.00 0.51 0.00 0.00 43.02 42.41 1gth s PHE 542 CO 0.01 -0.00 1.95 -0.84 0.70 0.00 0.00 175.22 177.04 1gth h ILE 543 N 5.09 0.88 -3.06 0.64 3.07 -1.82 -1.53 117.51 120.78 1gth h ILE 543 Ca -0.34 -0.88 -0.08 0.00 1.55 0.00 0.00 64.86 65.11 1gth h ILE 543 Cb 1.18 1.51 -0.17 0.00 -0.27 0.00 0.00 36.82 39.08 1gth h ILE 543 CO 0.65 0.22 -0.12 0.54 -1.05 0.00 0.00 178.15 178.39 1gth s ASN 544 N -6.54 -0.27 0.00 2.16 2.20 -1.26 -3.37 114.94 107.87 1gth s ASN 544 Ca -0.03 -0.02 0.19 0.00 -0.94 0.00 0.00 52.86 52.07 1gth s ASN 544 Cb 0.14 0.41 1.15 0.00 -2.00 0.00 0.00 41.25 40.95 1gth s ASN 544 CO 0.65 -0.65 1.64 -0.81 -2.94 0.00 0.00 177.10 174.99 1gth n PRO 545 N 0.53 0.84 -3.60 3.55 -0.04 -1.25 -4.42 135.00 130.61 1gth n PRO 545 Ca -0.19 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.91 1gth n PRO 545 Cb 0.60 -1.36 -0.07 0.00 -0.04 0.00 0.00 33.50 32.63 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 3.56 0.12 0.54 0.40 -1.26 0.70 117.98 120.04 1gth s PHE 546 Ca 0.29 0.68 -0.10 0.00 -0.60 0.00 0.00 56.93 57.21 1gth s PHE 546 Cb 0.13 -2.24 0.00 0.00 0.51 0.00 0.00 43.02 41.43 1gth s PHE 546 CO 0.22 0.46 0.24 0.20 0.70 0.00 0.00 175.22 177.04 1gth s GLY 547 N -0.27 0.17 -0.07 4.36 0.00 0.13 -1.05 107.32 110.59 1gth s GLY 547 Ca 0.18 -0.64 -0.26 0.00 0.00 0.00 0.00 44.72 44.00 1gth s GLY 547 CO 0.06 -0.76 0.81 1.08 0.00 0.00 0.00 173.10 174.29 1gth s LEU 548 N -2.89 4.30 0.78 0.66 1.43 -0.85 -0.46 118.68 121.65 1gth s LEU 548 Ca 0.09 1.32 -0.11 0.00 -1.03 0.00 0.00 54.13 54.40 1gth s LEU 548 Cb 0.04 -3.25 0.06 0.00 0.03 0.00 0.00 46.19 43.07 1gth s LEU 548 CO -0.08 -0.22 1.09 0.00 0.23 0.00 0.00 176.35 177.38 1gth s ALA 549 N 1.14 2.20 -0.56 4.21 0.00 -0.23 -1.48 121.76 127.04 1gth s ALA 549 Ca 0.42 0.18 -0.27 0.00 0.00 0.00 0.00 51.96 52.28 1gth s ALA 549 Cb -0.18 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 1gth s ALA 549 CO 0.20 -1.79 1.73 0.45 0.00 0.00 0.00 175.76 176.34 1gth s SER 550 N -3.46 5.60 0.00 0.00 0.15 -1.26 -4.58 113.70 110.14 1gth s SER 550 Ca 0.61 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.72 1gth s SER 550 Cb -0.17 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 1gth s SER 550 CO 0.56 -2.09 0.00 0.00 1.20 0.00 0.00 173.24 172.90 1gth n ALA 551 N 11.50 0.00 -0.30 5.45 0.00 -1.26 -4.81 120.51 131.09 1gth n ALA 551 Ca 0.18 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.72 1gth n ALA 551 Cb 0.50 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.21 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 1.35 0.00 0.00 0.00 -1.97 0.20 119.26 120.84 1gth h ALA 552 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1gth h ALA 552 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1gth h ALA 552 CO 0.00 -0.19 0.00 -2.30 0.00 0.00 0.00 179.25 176.76 1gth n PRO 553 N -4.94 0.10 -1.07 0.00 -0.02 -1.26 -1.81 135.00 126.00 1gth n PRO 553 Ca 0.19 0.51 -0.05 0.00 -2.02 0.00 0.00 63.50 62.13 1gth n PRO 553 Cb 0.52 -1.76 0.15 0.00 -0.02 0.00 0.00 33.50 32.39 1gth n PRO 553 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1gth n THR 554 N -1.96 2.35 0.00 3.45 -2.24 0.67 -4.62 114.28 111.93 1gth n THR 554 Ca 0.00 -3.52 0.02 0.00 -2.27 0.00 0.00 64.05 58.29 1gth n THR 554 Cb 0.08 -0.54 0.38 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 1.37 1.14 -4.00 4.28 2.02 -1.21 -3.15 112.91 113.36 1gth h THR 555 Ca 0.14 -0.42 -0.38 0.00 0.77 0.00 0.00 66.41 66.52 1gth h THR 555 Cb 1.21 0.67 -0.25 0.00 -1.74 0.00 0.00 68.15 68.04 1gth h THR 555 CO 0.28 0.17 -0.77 -0.44 0.37 0.00 0.00 175.52 175.13 1gth s SER 556 N -6.70 1.23 0.52 4.18 0.01 -1.26 -4.90 113.70 106.78 1gth s SER 556 Ca -0.08 -0.39 0.24 0.00 1.31 0.00 0.00 55.95 57.03 1gth s SER 556 Cb 0.17 -0.07 1.43 0.00 0.21 0.00 0.00 66.02 67.77 1gth s SER 556 CO 0.74 -0.01 2.11 0.77 0.41 0.00 0.00 173.24 177.26 1gth h SER 557 N 5.09 0.00 0.35 2.44 4.64 -1.98 -1.39 113.55 122.70 1gth h SER 557 Ca -0.35 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.93 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 0.45 0.10 -0.19 0.77 -0.87 0.00 0.00 176.83 177.08 1gth h SER 558 N 0.00 0.00 0.30 4.97 4.64 -1.98 -1.22 113.55 120.26 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 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1gth h SER 558 CO 0.01 0.19 -0.94 0.24 -0.87 0.00 0.00 176.83 175.46 1gth h MET 559 N 0.00 0.44 -0.57 4.77 2.07 -1.59 -2.89 114.93 117.16 1gth h MET 559 Ca -0.00 -0.47 -0.09 0.00 -2.07 0.00 0.00 59.70 57.07 1gth h MET 559 Cb 0.41 0.13 -0.02 0.00 -1.87 0.00 0.00 31.60 30.26 1gth h MET 559 CO 0.02 1.12 0.01 0.82 1.07 0.00 0.00 176.91 179.96 1gth h ILE 560 N 0.25 1.26 -0.48 -1.22 2.04 -1.28 -0.90 117.51 117.18 1gth h ILE 560 Ca -0.08 -1.11 0.06 0.00 1.00 0.00 0.00 64.86 64.73 1gth h ILE 560 Cb 1.58 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 38.47 1gth h ILE 560 CO 0.17 0.40 0.19 -0.09 0.00 0.00 0.00 178.15 178.82 1gth h ARG 561 N 0.88 0.37 -0.11 2.37 2.43 -1.23 0.53 114.38 119.62 1gth h ARG 561 Ca 0.16 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.22 1gth h ARG 561 Cb 0.53 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1gth h ARG 561 CO 0.03 0.25 -0.34 0.00 -1.51 0.00 0.00 179.97 178.39 1gth h ARG 562 N 0.38 0.23 -0.56 0.20 3.08 -1.27 -0.72 114.38 115.72 1gth h ARG 562 Ca 0.22 -0.09 -0.12 0.00 0.07 0.00 0.00 59.98 60.07 1gth h ARG 562 Cb 0.20 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 1gth h ARG 562 CO -0.21 0.55 -0.10 0.00 -1.07 0.00 0.00 179.97 179.14 1gth h ALA 563 N 1.45 0.76 -0.35 0.04 0.00 -0.12 -0.07 119.26 120.97 1gth h ALA 563 Ca 0.02 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 1gth h ALA 563 Cb 0.71 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1gth h ALA 563 CO 0.05 0.68 -0.25 0.74 0.00 0.00 0.00 179.25 180.47 1gth h PHE 564 N 0.93 0.81 -0.07 0.00 0.04 -0.56 -1.38 116.94 116.72 1gth h PHE 564 Ca 0.14 -0.19 -0.05 0.00 2.80 0.00 0.00 57.97 60.67 1gth h PHE 564 Cb 0.68 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.63 1gth h PHE 564 CO 0.05 0.89 -0.20 0.93 -0.60 0.00 0.00 178.31 179.38 1gth h GLU 565 N 0.62 0.11 0.00 1.51 5.08 -0.81 -1.65 114.58 119.43 1gth h GLU 565 Ca 0.08 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.28 1gth h GLU 565 Cb 0.75 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1gth h GLU 565 CO 0.06 0.31 -0.62 0.00 -1.00 0.00 0.00 179.01 177.76 1gth h ALA 566 N 1.70 0.86 0.00 3.43 0.00 -0.30 -3.47 119.26 121.47 1gth h ALA 566 Ca 0.02 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1gth h ALA 566 Cb 0.41 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1gth h ALA 566 CO 0.03 0.78 0.00 0.41 0.00 0.00 0.00 179.25 180.46 1gth n GLY 567 N 0.49 0.33 3.74 0.00 0.00 -0.60 -4.76 105.19 104.39 1gth n GLY 567 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1gth n GLY 567 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1gth n TRP 568 N 0.00 2.81 -0.30 1.61 7.02 -0.74 -4.91 117.44 122.93 1gth n TRP 568 Ca 0.00 0.24 -0.05 0.00 -1.02 0.00 0.00 57.50 56.67 1gth n TRP 568 Cb 0.00 -2.60 0.07 0.00 -2.42 0.00 0.00 31.31 26.36 1gth n TRP 568 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 1gth h GLY 569 N 4.97 1.26 -1.55 6.99 0.00 -1.30 -3.43 103.07 110.01 1gth h GLY 569 Ca -0.46 -0.61 -0.09 0.00 0.00 0.00 0.00 47.33 46.16 1gth h GLY 569 CO 0.81 0.58 0.07 -0.11 0.00 0.00 0.00 176.54 177.89 1gth s PHE 570 N -5.75 0.41 -0.04 5.60 -0.12 -1.07 -2.39 117.98 114.63 1gth s PHE 570 Ca -0.13 -0.88 -0.28 0.00 -0.05 0.00 0.00 56.93 55.59 1gth s PHE 570 Cb 0.16 0.45 0.06 0.00 -0.63 0.00 0.00 43.02 43.06 1gth s PHE 570 CO 0.82 -1.32 0.62 0.00 -0.05 0.00 0.00 175.22 175.29 1gth s ALA 571 N -2.96 -1.60 0.00 1.99 0.00 -0.46 -2.02 121.76 116.72 1gth s ALA 571 Ca 0.21 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.29 1gth s ALA 571 Cb -0.03 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 1gth s ALA 571 CO 0.13 -0.37 0.06 -0.51 0.00 0.00 0.00 175.76 175.07 1gth s LEU 572 N -1.28 3.78 0.63 0.00 2.01 -0.55 -1.10 118.68 122.16 1gth s LEU 572 Ca -0.11 0.09 -0.10 0.00 0.01 0.00 0.00 54.13 54.02 1gth s LEU 572 Cb -0.01 -2.21 -0.02 0.00 0.01 0.00 0.00 46.19 43.96 1gth s LEU 572 CO 0.08 0.27 1.02 0.42 1.01 0.00 0.00 176.35 179.15 1gth s THR 573 N -1.18 4.39 0.61 5.49 -4.23 -0.63 -4.50 115.64 115.59 1gth s THR 573 Ca 0.22 0.70 -0.19 0.00 -1.18 0.00 0.00 61.69 61.25 1gth s THR 573 Cb -0.12 -3.76 -0.03 0.00 1.34 0.00 0.00 72.50 69.93 1gth s THR 573 CO 0.13 -0.98 1.24 -0.75 -0.54 0.00 0.00 174.62 173.73 1gth s LYS 574 N -5.18 2.83 0.22 3.99 2.47 -1.19 -4.17 119.74 118.71 1gth s LYS 574 Ca 0.55 1.93 -0.31 0.00 -1.56 0.00 0.00 55.97 56.58 1gth s LYS 574 Cb -0.11 -1.91 -0.11 0.00 -1.46 0.00 0.00 37.83 34.24 1gth s LYS 574 CO 0.52 -1.34 1.62 0.99 0.16 0.00 0.00 175.35 177.30 1gth s THR 575 N -1.51 2.27 0.29 3.43 2.01 -1.26 -4.56 115.64 116.30 1gth s THR 575 Ca 0.79 0.20 0.06 0.00 0.31 0.00 0.00 61.69 63.05 1gth s THR 575 Cb -0.33 -3.13 -0.06 0.00 0.01 0.00 0.00 72.50 68.99 1gth s THR 575 CO 0.36 0.02 -0.04 0.72 -0.69 0.00 0.00 174.62 174.99 1gth s PHE 576 N 0.77 1.94 0.25 4.92 -0.12 -0.47 -0.07 117.98 125.20 1gth s PHE 576 Ca 0.69 -0.75 0.05 0.00 -0.05 0.00 0.00 56.93 56.87 1gth s PHE 576 Cb -0.47 -1.14 -0.02 0.00 -0.63 0.00 0.00 43.02 40.76 1gth s PHE 576 CO 0.37 0.22 0.23 -1.13 -0.05 0.00 0.00 175.22 174.85 1gth n SER 577 N -0.60 -0.58 -4.77 1.98 3.41 -1.26 -1.99 113.62 109.82 1gth n SER 577 Ca -0.05 -2.60 -0.32 0.00 -0.26 0.00 0.00 58.87 55.63 1gth n SER 577 Cb 0.64 1.31 0.06 0.00 -0.26 0.00 0.00 64.21 65.97 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 0.36 1.04 1.43 -1.26 -3.95 118.68 119.58 1gth s LEU 578 Ca 0.29 1.97 0.11 0.00 -1.03 0.00 0.00 54.13 55.47 1gth s LEU 578 Cb 0.01 -4.54 0.90 0.00 0.03 0.00 0.00 46.19 42.59 1gth s LEU 578 CO 0.20 -1.78 1.82 0.44 0.23 0.00 0.00 176.35 177.26 1gth h ASP 579 N -0.31 0.61 0.51 2.29 5.19 -2.00 -1.02 116.42 121.69 1gth h ASP 579 Ca -0.46 0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.01 1gth h ASP 579 Cb 1.24 -0.04 -0.00 0.00 0.18 0.00 0.00 39.33 40.71 1gth h ASP 579 CO 0.53 0.24 -0.02 0.07 -3.12 0.00 0.00 179.24 176.94 1gth h LYS 580 N 0.61 0.00 -0.49 3.56 2.10 -2.04 -2.34 116.57 117.96 1gth h LYS 580 Ca 0.52 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.17 1gth h LYS 580 Cb 1.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.34 1gth h LYS 580 CO -0.27 0.02 0.00 -0.25 -2.00 0.00 0.00 179.45 176.94 1gth n ASP 581 N -3.16 4.87 -4.60 7.07 8.00 -0.39 -5.01 116.55 123.33 1gth n ASP 581 Ca -0.01 -2.82 -0.46 0.00 0.71 0.00 0.00 54.79 52.21 1gth n ASP 581 Cb 0.20 -0.60 -0.03 0.00 -0.02 0.00 0.00 41.12 40.67 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 0.39 1.32 -4.31 0.53 0.13 -0.88 -4.92 119.36 111.61 1gth n ILE 582 Ca 0.25 -0.33 -0.24 0.00 -1.10 0.00 0.00 62.75 61.33 1gth n ILE 582 Cb 1.01 -1.03 -0.08 0.00 -0.84 0.00 0.00 39.64 38.70 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 -0.49 2.75 -0.08 9.51 -7.23 -1.26 -5.13 120.40 118.46 1gth s VAL 583 Ca 0.67 -1.95 -0.01 0.00 -1.81 0.00 0.00 61.98 58.87 1gth s VAL 583 Cb -0.75 -2.80 0.03 0.00 0.56 0.00 0.00 36.38 33.42 1gth s VAL 583 CO 0.55 -0.22 0.00 -0.89 -0.31 0.00 0.00 175.10 174.22 1gth s THR 584 N -2.49 0.41 0.78 5.32 2.01 -1.26 -4.68 115.64 115.73 1gth s THR 584 Ca 0.35 0.06 -0.11 0.00 0.31 0.00 0.00 61.69 62.30 1gth s THR 584 Cb -0.01 -0.58 0.06 0.00 0.01 0.00 0.00 72.50 71.97 1gth s THR 584 CO 0.20 0.23 1.09 0.20 -0.69 0.00 0.00 174.62 175.65 1gth s ASN 585 N 1.96 4.62 0.44 3.53 0.01 -1.26 -5.00 114.94 119.24 1gth s ASN 585 Ca 0.05 1.43 0.07 0.00 -0.71 0.00 0.00 52.86 53.69 1gth s ASN 585 Cb -0.13 -2.19 -0.03 0.00 0.41 0.00 0.00 41.25 39.31 1gth s ASN 585 CO -0.06 -1.90 0.22 0.68 -1.51 0.00 0.00 177.10 174.53 1gth s VAL 586 N -3.10 2.14 -0.09 1.60 -7.23 -1.26 -5.12 120.40 107.34 1gth s VAL 586 Ca 0.60 -1.65 -0.13 0.00 -1.81 0.00 0.00 61.98 58.99 1gth s VAL 586 Cb -0.15 -2.80 0.03 0.00 0.56 0.00 0.00 36.38 34.03 1gth s VAL 586 CO 0.55 0.00 0.33 -0.94 -0.31 0.00 0.00 175.10 174.73 1gth s SER 587 N -3.99 -0.30 0.72 4.85 1.04 -1.26 -4.31 113.70 110.46 1gth s SER 587 Ca 0.38 0.50 -0.13 0.00 0.48 0.00 0.00 55.95 57.19 1gth s SER 587 Cb 0.02 0.58 0.03 0.00 0.10 0.00 0.00 66.02 66.75 1gth s SER 587 CO 0.21 -0.21 1.10 -2.16 0.98 0.00 0.00 173.24 173.16 1gth s PRO 588 N -0.26 2.49 0.00 4.02 0.04 -1.26 -4.57 135.00 135.46 1gth s PRO 588 Ca -0.04 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.28 1gth s PRO 588 Cb -0.03 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1gth s PRO 588 CO 0.02 -1.48 0.00 2.89 0.04 0.00 0.00 177.00 178.47 1gth n ARG 589 N -3.03 0.00 -3.81 4.56 1.85 -1.26 -4.76 116.66 110.22 1gth n ARG 589 Ca 0.10 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.70 1gth n ARG 589 Cb 0.52 -0.03 -0.17 0.00 -1.05 0.00 0.00 32.46 31.73 1gth n ARG 589 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1gth s ILE 590 N 0.00 0.61 0.24 8.89 1.01 -1.26 -0.51 121.20 130.19 1gth s ILE 590 Ca 0.00 -0.14 0.11 0.00 0.00 0.00 0.00 60.65 60.61 1gth s ILE 590 Cb 0.00 -0.79 -0.05 0.00 0.01 0.00 0.00 42.46 41.63 1gth s ILE 590 CO 0.00 0.20 -0.19 0.68 0.00 0.00 0.00 174.94 175.63 1gth s VAL 591 N 1.87 2.21 0.56 2.92 -7.23 -0.25 -4.98 120.40 115.50 1gth s VAL 591 Ca 0.04 -2.29 -0.17 0.00 -1.81 0.00 0.00 61.98 57.74 1gth s VAL 591 Cb -0.13 -2.18 -0.05 0.00 0.56 0.00 0.00 36.38 34.57 1gth s VAL 591 CO -0.07 -0.43 1.06 0.00 -0.31 0.00 0.00 175.10 175.36 1gth s ARG 592 N -3.44 3.42 0.57 4.82 1.70 -1.26 -1.49 118.95 123.26 1gth s ARG 592 Ca 0.26 1.31 -0.14 0.00 -0.47 0.00 0.00 55.73 56.69 1gth s ARG 592 Cb -0.04 -2.04 -0.06 0.00 -0.57 0.00 0.00 34.95 32.24 1gth s ARG 592 CO 0.12 -0.74 1.01 0.20 -1.08 0.00 0.00 175.30 174.81 1gth s GLY 593 N -2.42 1.92 -0.07 3.88 0.00 0.13 -4.69 107.32 106.06 1gth s GLY 593 Ca 0.66 0.11 0.12 0.00 0.00 0.00 0.00 44.72 45.61 1gth s GLY 593 CO 0.31 0.39 1.27 -1.30 0.00 0.00 0.00 173.10 173.78 1gth n THR 594 N -2.08 1.51 0.30 0.90 -2.24 -1.26 -4.68 114.28 106.72 1gth n THR 594 Ca 0.07 -1.40 0.13 0.00 -2.27 0.00 0.00 64.05 60.58 1gth n THR 594 Cb 0.54 0.19 0.59 0.00 -2.10 0.00 0.00 70.33 69.54 1gth n THR 594 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1gth h THR 595 N 1.53 0.00 -0.00 4.28 1.35 -1.92 -3.07 112.91 115.08 1gth h THR 595 Ca 0.00 -0.16 -0.10 0.00 -0.55 0.00 0.00 66.41 65.60 1gth h THR 595 Cb 0.96 0.83 -0.22 0.00 -1.73 0.00 0.00 68.15 68.00 1gth h THR 595 CO 0.08 0.00 -0.80 -1.54 -0.25 0.00 0.00 175.52 173.01 1gth n SER 596 N -2.37 1.33 0.00 5.36 3.41 -1.26 -5.07 113.62 115.02 1gth n SER 596 Ca 0.00 -2.86 0.00 0.00 -0.26 0.00 0.00 58.87 55.76 1gth n SER 596 Cb 0.16 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 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 -0.23 -2.23 2.43 5.00 0.00 -1.16 -4.45 105.19 104.54 1gth n GLY 597 Ca 0.12 -1.51 -0.22 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.55 2.22 -3.80 1.61 -0.04 -1.26 -4.84 135.00 128.35 1gth n PRO 598 Ca 0.00 -1.40 -0.36 0.00 -0.04 0.00 0.00 63.50 61.70 1gth n PRO 598 Cb 0.00 -2.36 -0.13 0.00 -0.04 0.00 0.00 33.50 30.97 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 2.68 3.33 0.27 0.54 -1.94 -1.26 -5.10 119.30 117.82 1gth s MET 599 Ca 0.47 -0.68 0.08 0.00 -1.71 0.00 0.00 55.69 53.85 1gth s MET 599 Cb 0.15 -3.27 -0.04 0.00 2.01 0.00 0.00 34.83 33.68 1gth s MET 599 CO -0.03 -0.30 0.09 0.71 -0.01 0.00 0.00 175.02 175.48 1gth s TYR 600 N 1.53 2.87 0.00 -0.03 1.51 -1.26 -4.93 117.35 117.03 1gth s TYR 600 Ca 0.04 -0.19 0.00 0.00 -1.01 0.00 0.00 57.07 55.92 1gth s TYR 600 Cb -0.16 -1.31 0.00 0.00 -0.11 0.00 0.00 41.96 40.38 1gth s TYR 600 CO 0.01 0.56 0.00 0.41 -1.11 0.00 0.00 175.55 175.42 1gth n GLY 601 N -1.03 1.00 3.72 0.71 0.00 -1.26 -5.00 105.19 103.33 1gth n GLY 601 Ca -0.07 -1.51 -0.37 0.00 0.00 0.00 0.00 46.02 44.08 1gth n GLY 601 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1gth n PRO 602 N 1.39 1.08 -3.49 1.61 -0.04 -1.26 -4.05 135.00 130.24 1gth n PRO 602 Ca 0.00 0.43 -0.20 0.00 -0.04 0.00 0.00 63.50 63.68 1gth n PRO 602 Cb 0.00 -2.51 0.08 0.00 -0.04 0.00 0.00 33.50 31.03 1gth n PRO 602 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1gth n GLY 603 N 0.94 -0.44 3.74 0.55 0.00 -1.26 -4.95 105.19 103.77 1gth n GLY 603 Ca 0.16 0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 1gth n GLY 603 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1gth n GLN 604 N -4.52 2.67 0.00 1.61 1.13 -1.26 -4.85 117.38 112.16 1gth n GLN 604 Ca -0.13 0.95 0.11 0.00 -1.94 0.00 0.00 57.00 55.98 1gth n GLN 604 Cb 0.61 -2.73 0.56 0.00 0.11 0.00 0.00 30.24 28.80 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 2.24 0.00 -3.58 1.08 3.41 -1.26 -4.76 113.62 110.75 1gth n SER 605 Ca 0.09 -0.07 0.04 0.00 -0.26 0.00 0.00 58.87 58.67 1gth n SER 605 Cb 0.36 -0.27 -0.00 0.00 -0.26 0.00 0.00 64.21 64.04 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 -2.54 -0.01 0.05 4.04 1.04 -1.26 -0.76 113.70 114.26 1gth s SER 606 Ca 0.22 -0.02 -0.04 0.00 0.48 0.00 0.00 55.95 56.58 1gth s SER 606 Cb 0.15 0.03 -0.02 0.00 0.10 0.00 0.00 66.02 66.27 1gth s SER 606 CO 0.33 -0.05 0.05 -0.36 0.98 0.00 0.00 173.24 174.19 1gth s PHE 607 N -2.07 0.34 -0.02 5.02 0.40 -0.89 0.17 117.98 120.93 1gth s PHE 607 Ca 0.16 -0.78 0.04 0.00 -0.60 0.00 0.00 56.93 55.74 1gth s PHE 607 Cb 0.07 -0.24 -0.00 0.00 0.51 0.00 0.00 43.02 43.36 1gth s PHE 607 CO -0.06 -0.40 -0.13 -1.17 0.70 0.00 0.00 175.22 174.16 1gth s LEU 608 N -2.60 1.90 0.05 -0.37 0.20 -0.56 -0.94 118.68 116.36 1gth s LEU 608 Ca 0.02 -0.25 0.03 0.00 0.69 0.00 0.00 54.13 54.62 1gth s LEU 608 Cb 0.04 -0.71 -0.02 0.00 -0.43 0.00 0.00 46.19 45.07 1gth s LEU 608 CO -0.08 0.12 -0.10 0.54 -0.29 0.00 0.00 176.35 176.55 1gth s ASN 609 N -0.03 1.08 -0.24 3.68 2.20 -0.58 -1.09 114.94 119.96 1gth s ASN 609 Ca -0.00 -0.56 0.13 0.00 -0.94 0.00 0.00 52.86 51.49 1gth s ASN 609 Cb -0.08 0.01 0.46 0.00 -2.00 0.00 0.00 41.25 39.64 1gth s ASN 609 CO 0.01 -0.16 1.18 2.30 -2.94 0.00 0.00 177.10 177.48 1gth n ILE 610 N 1.45 1.95 -2.76 0.54 -5.35 0.34 -0.72 119.36 114.80 1gth n ILE 610 Ca -0.22 -3.41 -0.32 0.00 -0.27 0.00 0.00 62.75 58.54 1gth n ILE 610 Cb 0.55 -0.23 -0.04 0.00 -1.74 0.00 0.00 39.64 38.17 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 -3.19 3.93 0.00 6.28 2.12 -1.26 -4.81 118.70 121.78 1gth s GLU 611 Ca 0.41 0.74 0.00 0.00 0.36 0.00 0.00 54.97 56.48 1gth s GLU 611 Cb 0.38 -2.29 0.00 0.00 0.26 0.00 0.00 34.13 32.48 1gth s GLU 611 CO -0.02 -0.07 0.00 1.28 -0.54 0.00 0.00 175.26 175.91 1gth n LEU 612 N -1.12 0.00 0.00 2.70 4.77 -1.26 -4.93 117.00 117.16 1gth n LEU 612 Ca 0.04 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.97 1gth n LEU 612 Cb 0.54 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.67 1gth n LEU 612 CO 0.45 0.00 0.15 2.30 -1.33 0.00 0.00 177.39 178.96 1gth n ILE 613 N 0.00 0.00 -1.80 -0.08 -5.35 -1.26 -4.97 119.36 105.89 1gth n ILE 613 Ca 0.00 -0.16 -0.40 0.00 -0.27 0.00 0.00 62.75 61.91 1gth n ILE 613 Cb 0.00 -1.74 0.01 0.00 -1.74 0.00 0.00 39.64 36.17 1gth n ILE 613 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1gth s SER 614 N -1.92 6.14 0.00 7.28 0.15 0.89 -4.90 113.70 121.34 1gth s SER 614 Ca 0.14 2.99 0.26 0.00 0.70 0.00 0.00 55.95 60.04 1gth s SER 614 Cb -0.01 -2.66 0.67 0.00 -1.71 0.00 0.00 66.02 62.31 1gth s SER 614 CO 0.10 -1.01 1.52 -0.62 1.20 0.00 0.00 173.24 174.43 1gth n GLU 615 N 0.17 0.38 -3.26 5.44 1.02 -1.26 -4.54 120.64 118.59 1gth n GLU 615 Ca 0.03 -0.21 -0.33 0.00 -0.02 0.00 0.00 57.16 56.62 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 -2.77 3.98 0.79 3.49 1.02 -1.26 -4.86 119.74 120.13 1gth s LYS 616 Ca 0.17 0.55 -0.11 0.00 0.02 0.00 0.00 55.97 56.61 1gth s LYS 616 Cb 0.18 -2.67 0.07 0.00 -0.52 0.00 0.00 37.83 34.89 1gth s LYS 616 CO 0.61 0.31 1.09 0.95 -0.92 0.00 0.00 175.35 177.38 1gth s THR 617 N -1.76 3.26 0.37 2.17 -4.23 -1.26 -4.78 115.64 109.41 1gth s THR 617 Ca 0.47 0.41 0.07 0.00 -1.18 0.00 0.00 61.69 61.46 1gth s THR 617 Cb -0.12 -2.97 0.17 0.00 1.34 0.00 0.00 72.50 70.92 1gth s THR 617 CO 0.19 -0.53 1.92 0.00 -0.54 0.00 0.00 174.62 175.66 1gth h ALA 618 N -1.15 1.48 -0.35 3.99 0.00 -1.94 -1.53 119.26 119.76 1gth h ALA 618 Ca -0.45 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 1gth h ALA 618 Cb 1.24 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1gth h ALA 618 CO 0.54 0.37 0.16 0.00 0.00 0.00 0.00 179.25 180.32 1gth h ALA 619 N 1.60 0.45 0.09 0.00 0.00 -1.92 0.20 119.26 119.68 1gth h ALA 619 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1gth h ALA 619 Cb 0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1gth h ALA 619 CO 0.01 0.02 -0.07 -0.92 0.00 0.00 0.00 179.25 178.29 1gth h TYR 620 N 0.42 -0.19 -0.59 0.00 3.20 -1.80 -1.45 116.97 116.57 1gth h TYR 620 Ca 0.12 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 1gth h TYR 620 Cb 0.14 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 1gth h TYR 620 CO -0.01 -0.12 0.32 -1.49 -1.64 0.00 0.00 178.16 175.22 1gth h TRP 621 N -0.17 0.81 -0.54 -3.82 4.06 -1.10 -0.15 115.95 115.04 1gth h TRP 621 Ca -0.00 -0.02 -0.12 0.00 2.06 0.00 0.00 58.89 60.81 1gth h TRP 621 Cb 0.16 -0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 28.05 1gth h TRP 621 CO -0.10 0.59 -0.13 0.00 -3.56 0.00 0.00 178.44 175.25 1gth h GLN 623 N 0.91 1.09 -0.89 0.00 4.15 -1.13 -2.34 115.11 116.91 1gth h GLN 623 Ca 0.14 -0.32 -0.00 0.00 0.77 0.00 0.00 58.65 59.24 1gth h GLN 623 Cb 0.70 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.23 1gth h GLN 623 CO 0.05 1.03 0.55 0.77 -1.93 0.00 0.00 178.83 179.31 1gth h SER 624 N 1.01 1.05 -0.64 -0.69 0.02 -0.69 -1.48 113.55 112.13 1gth h SER 624 Ca 0.19 -0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 61.00 1gth h SER 624 Cb 0.50 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 1gth h SER 624 CO 0.02 0.80 0.07 0.58 -1.14 0.00 0.00 176.83 177.16 1gth h VAL 625 N 1.22 1.26 -0.34 2.27 2.07 -0.76 0.73 116.25 122.70 1gth h VAL 625 Ca 0.32 -1.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 1gth h VAL 625 Cb -0.08 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1gth h VAL 625 CO -0.06 0.40 0.20 0.74 0.02 0.00 0.00 177.57 178.87 1gth h THR 626 N 1.01 1.12 -0.10 2.57 2.02 -0.97 0.11 112.91 118.67 1gth h THR 626 Ca 0.19 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 1gth h THR 626 Cb 0.48 0.70 -0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1gth h THR 626 CO 0.02 0.12 0.06 -0.33 0.37 0.00 0.00 175.52 175.76 1gth h GLU 627 N 0.44 0.14 -0.54 6.66 5.08 -0.93 -1.34 114.58 124.08 1gth h GLU 627 Ca 0.12 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1gth h GLU 627 Cb 0.02 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1gth h GLU 627 CO -0.02 0.16 0.30 -0.07 -1.00 0.00 0.00 179.01 178.37 1gth h LEU 628 N 0.08 0.68 -1.23 1.33 3.38 -0.65 -1.53 115.31 117.37 1gth h LEU 628 Ca 0.04 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1gth h LEU 628 Cb 0.06 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1gth h LEU 628 CO -0.01 0.57 -0.38 0.11 0.09 0.00 0.00 178.44 178.83 1gth h LYS 629 N 0.73 0.00 -0.34 1.13 1.79 -0.89 0.31 116.57 119.30 1gth h LYS 629 Ca 0.19 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.49 1gth h LYS 629 Cb 0.05 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.69 1gth h LYS 629 CO -0.03 0.38 -0.45 0.00 -1.08 0.00 0.00 179.45 178.27 1gth h ALA 630 N 1.62 0.51 0.00 3.86 0.00 -0.79 -3.01 119.26 121.45 1gth h ALA 630 Ca -0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 1gth h ALA 630 Cb 0.69 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1gth h ALA 630 CO 0.05 0.67 -1.00 -0.44 0.00 0.00 0.00 179.25 178.52 1gth h ASP 631 N 0.71 0.00 -2.14 0.00 3.32 -1.01 -3.40 116.42 113.90 1gth h ASP 631 Ca 0.04 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.51 1gth h ASP 631 Cb 1.06 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.21 1gth h ASP 631 CO 0.11 0.28 -0.93 0.49 -1.72 0.00 0.00 179.24 177.47 1gth n PHE 632 N -2.87 0.85 0.12 4.55 3.01 0.11 -4.97 117.46 118.26 1gth n PHE 632 Ca -0.03 -3.73 0.09 0.00 1.01 0.00 0.00 57.45 54.78 1gth n PHE 632 Cb 0.68 -0.36 0.57 0.00 -0.01 0.00 0.00 39.48 40.36 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 4.28 0.20 0.00 -1.08 0.11 -1.74 -2.34 132.00 131.42 1gth h PRO 633 Ca 0.13 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1gth h PRO 633 Cb 0.82 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1gth h PRO 633 CO 0.57 0.13 -0.36 -0.25 -0.21 0.00 0.00 178.00 177.88 1gth n ASP 634 N -4.50 0.39 -4.70 -2.05 8.00 -1.26 -4.79 116.55 107.65 1gth n ASP 634 Ca 0.02 0.03 -0.38 0.00 0.71 0.00 0.00 54.79 55.17 1gth n ASP 634 Cb 0.17 -0.01 -0.07 0.00 -0.02 0.00 0.00 41.12 41.20 1gth n ASP 634 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1gth s ASN 635 N -3.20 6.57 0.02 -2.24 -0.87 -0.88 -4.52 114.94 109.81 1gth s ASN 635 Ca 0.11 0.68 -0.30 0.00 -1.57 0.00 0.00 52.86 51.78 1gth s ASN 635 Cb 0.17 -2.26 -0.04 0.00 -0.02 0.00 0.00 41.25 39.11 1gth s ASN 635 CO 0.65 -0.02 1.08 -0.63 -2.57 0.00 0.00 177.10 175.60 1gth s ILE 636 N 0.88 4.51 -0.18 0.60 -1.09 -1.01 -4.94 121.20 119.97 1gth s ILE 636 Ca 0.23 1.80 0.00 0.00 -2.23 0.00 0.00 60.65 60.45 1gth s ILE 636 Cb -0.15 -4.15 0.01 0.00 -1.58 0.00 0.00 42.46 36.59 1gth s ILE 636 CO 0.08 0.13 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.07 1gth s VAL 637 N 1.09 2.38 -0.19 2.92 1.01 -1.26 -1.35 120.40 125.00 1gth s VAL 637 Ca 0.55 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.66 1gth s VAL 637 Cb -0.24 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 1gth s VAL 637 CO 0.28 0.52 -0.08 -0.63 0.00 0.00 0.00 175.10 175.19 1gth s ILE 638 N 1.23 3.20 -0.24 2.22 1.01 -0.26 -1.41 121.20 126.95 1gth s ILE 638 Ca 0.03 -0.57 -0.23 0.00 0.00 0.00 0.00 60.65 59.88 1gth s ILE 638 Cb -0.14 -2.42 -0.01 0.00 0.01 0.00 0.00 42.46 39.90 1gth s ILE 638 CO -0.09 0.46 0.73 0.00 0.00 0.00 0.00 174.94 176.05 1gth s ALA 639 N 1.11 3.61 -0.15 9.38 0.00 -0.67 -1.60 121.76 133.44 1gth s ALA 639 Ca 0.01 -0.25 -0.19 0.00 0.00 0.00 0.00 51.96 51.53 1gth s ALA 639 Cb -0.15 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 1gth s ALA 639 CO -0.02 -0.82 0.52 0.45 0.00 0.00 0.00 175.76 175.90 1gth s SER 640 N 1.36 6.66 0.11 0.00 0.15 -1.26 -0.76 113.70 119.96 1gth s SER 640 Ca 0.31 0.79 0.03 0.00 0.70 0.00 0.00 55.95 57.78 1gth s SER 640 Cb -0.15 -2.30 -0.04 0.00 -1.71 0.00 0.00 66.02 61.81 1gth s SER 640 CO 0.08 -0.10 -0.08 0.27 1.20 0.00 0.00 173.24 174.61 1gth s ILE 641 N 1.15 0.88 -0.13 6.45 -4.36 -0.33 -1.37 121.20 123.49 1gth s ILE 641 Ca 0.26 -1.87 -0.10 0.00 -0.26 0.00 0.00 60.65 58.68 1gth s ILE 641 Cb -0.15 -1.61 0.04 0.00 1.25 0.00 0.00 42.46 41.98 1gth s ILE 641 CO 0.11 -0.74 0.33 -0.32 0.24 0.00 0.00 174.94 174.55 1gth s MET 642 N -3.47 0.36 0.11 0.37 1.75 -0.84 -1.36 119.30 116.21 1gth s MET 642 Ca 0.11 0.50 -0.01 0.00 -1.25 0.00 0.00 55.69 55.04 1gth s MET 642 Cb 0.02 0.12 -0.04 0.00 2.84 0.00 0.00 34.83 37.77 1gth s MET 642 CO -0.02 -0.07 0.04 0.00 -0.65 0.00 0.00 175.02 174.31 1gth s SER 644 N -3.00 2.55 -1.15 0.00 1.04 -1.26 -4.80 113.70 107.08 1gth s SER 644 Ca 0.18 0.41 -0.22 0.00 0.48 0.00 0.00 55.95 56.80 1gth s SER 644 Cb 0.08 -0.53 -0.08 0.00 0.10 0.00 0.00 66.02 65.58 1gth s SER 644 CO -0.02 -3.09 1.92 0.00 0.98 0.00 0.00 173.24 173.02 1gth n TYR 645 N -4.03 2.78 -3.67 5.02 9.36 -1.26 -4.80 117.16 120.57 1gth n TYR 645 Ca 0.14 -1.63 -0.16 0.00 3.32 0.00 0.00 57.90 59.57 1gth n TYR 645 Cb 0.59 -2.51 -0.15 0.00 -0.63 0.00 0.00 39.34 36.64 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 6.08 0.66 0.11 2.98 3.84 -1.26 -5.07 114.94 122.28 1gth s ASN 646 Ca 0.66 0.33 -0.20 0.00 0.21 0.00 0.00 52.86 53.86 1gth s ASN 646 Cb 0.02 0.27 -0.08 0.00 -0.55 0.00 0.00 41.25 40.91 1gth s ASN 646 CO 0.13 -0.24 1.73 0.50 -2.79 0.00 0.00 177.10 176.44 1gth h LYS 647 N 8.25 0.25 -0.65 0.43 3.64 -1.99 -2.39 116.57 124.10 1gth h LYS 647 Ca -0.16 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.20 1gth h LYS 647 Cb 1.12 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.85 1gth h LYS 647 CO 0.17 0.21 0.43 -0.91 -2.27 0.00 0.00 179.45 177.09 1gth h ASN 648 N 0.22 0.75 0.23 4.20 2.35 -1.98 -1.92 115.58 119.44 1gth h ASN 648 Ca 0.07 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1gth h ASN 648 Cb 0.03 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.21 1gth h ASN 648 CO -0.01 0.54 -0.13 0.44 -1.65 0.00 0.00 177.43 176.62 1gth h ASP 649 N 0.88 -0.32 -0.90 5.81 3.32 -1.91 0.83 116.42 124.12 1gth h ASP 649 Ca 0.24 0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.36 1gth h ASP 649 Cb -0.10 0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.48 1gth h ASP 649 CO -0.05 -0.22 0.59 -0.50 -1.72 0.00 0.00 179.24 177.34 1gth h TRP 650 N -0.35 1.07 -0.18 4.55 4.06 -1.31 -0.38 115.95 123.41 1gth h TRP 650 Ca -0.03 0.03 -0.20 0.00 2.06 0.00 0.00 58.89 60.75 1gth h TRP 650 Cb 0.28 -0.35 0.00 0.00 -1.00 0.00 0.00 29.16 28.09 1gth h TRP 650 CO -0.08 0.59 -0.68 0.52 -3.56 0.00 0.00 178.44 175.23 1gth h MET 651 N 1.08 0.71 0.29 0.49 2.86 -1.09 -1.86 114.93 117.42 1gth h MET 651 Ca 0.37 -0.53 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 1gth h MET 651 Cb 0.11 0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1gth h MET 651 CO -0.13 1.15 -0.14 1.49 1.06 0.00 0.00 176.91 180.34 1gth h GLU 652 N 0.51 -0.38 -0.29 1.72 4.81 -0.25 -1.97 114.58 118.72 1gth h GLU 652 Ca -0.02 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1gth h GLU 652 Cb 1.28 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.73 1gth h GLU 652 CO 0.14 -0.14 0.14 1.25 -0.73 0.00 0.00 179.01 179.67 1gth h LEU 653 N -0.56 0.38 -0.98 1.64 5.85 -1.15 -1.10 115.31 119.40 1gth h LEU 653 Ca -0.04 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 1gth h LEU 653 Cb 0.41 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1gth h LEU 653 CO 0.07 0.40 0.55 0.77 -0.34 0.00 0.00 178.44 179.89 1gth h SER 654 N 0.34 1.11 -0.03 1.25 4.64 -1.37 -0.58 113.55 118.92 1gth h SER 654 Ca 0.10 -0.07 -0.15 0.00 -0.47 0.00 0.00 61.79 61.21 1gth h SER 654 Cb 0.12 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 1gth h SER 654 CO -0.01 0.86 -0.46 0.03 -0.87 0.00 0.00 176.83 176.37 1gth h ARG 655 N 1.27 0.57 -0.65 4.77 3.08 -1.17 0.24 114.38 122.50 1gth h ARG 655 Ca 0.33 -0.32 -0.07 0.00 0.07 0.00 0.00 59.98 59.99 1gth h ARG 655 Cb -0.05 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 1gth h ARG 655 CO -0.06 0.92 0.14 -0.22 -1.07 0.00 0.00 179.97 179.68 1gth h LYS 656 N 0.46 1.05 -0.34 0.04 3.64 -0.66 -0.71 116.57 120.04 1gth h LYS 656 Ca 0.03 -0.26 -0.09 0.00 -1.27 0.00 0.00 60.65 59.06 1gth h LYS 656 Cb 0.98 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 1gth h LYS 656 CO 0.09 0.95 -0.13 0.00 -2.27 0.00 0.00 179.45 178.09 1gth h ALA 657 N 1.05 0.48 -0.46 5.00 0.00 -0.93 -2.87 119.26 121.54 1gth h ALA 657 Ca 0.20 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1gth h ALA 657 Cb 0.38 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1gth h ALA 657 CO 0.01 0.36 0.29 1.49 0.00 0.00 0.00 179.25 181.40 1gth h GLU 658 N 0.47 0.61 0.00 0.00 4.81 -0.76 -2.56 114.58 117.15 1gth h GLU 658 Ca 0.08 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1gth h GLU 658 Cb 0.65 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 1gth h GLU 658 CO 0.04 0.42 -0.04 0.00 -0.73 0.00 0.00 179.01 178.70 1gth h ALA 659 N 1.15 1.52 0.00 2.92 0.00 -1.06 -1.67 119.26 122.13 1gth h ALA 659 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1gth h ALA 659 Cb -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1gth h ALA 659 CO -0.03 0.05 0.00 0.66 0.00 0.00 0.00 179.25 179.93 1gth h SER 660 N 0.00 0.00 0.00 0.00 4.64 -1.23 -3.46 113.55 113.50 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 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 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 0.22 1.12 3.72 -0.77 0.00 -0.63 -3.23 105.19 105.62 1gth n GLY 661 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.18 1.49 0.17 4.61 0.00 -1.23 -4.89 120.51 119.48 1gth n ALA 662 Ca 0.00 0.23 0.03 0.00 0.00 0.00 0.00 53.44 53.70 1gth n ALA 662 Cb 0.00 -2.31 0.27 0.00 0.00 0.00 0.00 19.45 17.41 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 1.97 0.00 -5.31 0.00 5.19 -1.61 -3.47 116.42 113.20 1gth h ASP 663 Ca -0.49 0.00 0.13 0.00 -0.62 0.00 0.00 57.03 56.05 1gth h ASP 663 Cb 1.29 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.76 1gth h ASP 663 CO 0.59 0.46 0.49 0.00 -3.12 0.00 0.00 179.24 177.66 1gth s ALA 664 N -3.56 -1.45 0.14 3.45 0.00 -1.23 -4.29 121.76 114.83 1gth s ALA 664 Ca -0.00 -0.29 0.08 0.00 0.00 0.00 0.00 51.96 51.75 1gth s ALA 664 Cb 0.11 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.91 1gth s ALA 664 CO 0.71 -1.04 -0.19 -0.51 0.00 0.00 0.00 175.76 174.73 1gth s LEU 665 N -3.21 2.39 -0.11 0.00 1.43 -0.86 -1.68 118.68 116.65 1gth s LEU 665 Ca 0.18 -0.81 0.01 0.00 -1.03 0.00 0.00 54.13 52.48 1gth s LEU 665 Cb -0.03 -0.84 0.02 0.00 0.03 0.00 0.00 46.19 45.37 1gth s LEU 665 CO 0.06 -0.01 -0.12 -0.70 0.23 0.00 0.00 176.35 175.81 1gth s GLU 666 N -2.52 1.94 -0.41 1.70 2.12 0.06 0.07 118.70 121.66 1gth s GLU 666 Ca 0.13 -0.44 -0.21 0.00 0.36 0.00 0.00 54.97 54.80 1gth s GLU 666 Cb -0.07 -1.76 0.02 0.00 0.26 0.00 0.00 34.13 32.58 1gth s GLU 666 CO 0.06 -0.14 0.68 -0.51 -0.54 0.00 0.00 175.26 174.81 1gth s LEU 667 N 1.25 4.35 -0.78 2.70 1.02 0.13 -1.19 118.68 126.16 1gth s LEU 667 Ca -0.02 -0.10 -0.26 0.00 0.02 0.00 0.00 54.13 53.77 1gth s LEU 667 Cb -0.14 -2.82 0.03 0.00 0.02 0.00 0.00 46.19 43.28 1gth s LEU 667 CO -0.05 -0.75 1.35 0.21 0.02 0.00 0.00 176.35 177.13 1gth s ASN 668 N 1.96 6.15 -0.23 2.29 3.84 -0.47 -1.06 114.94 127.42 1gth s ASN 668 Ca 0.25 -0.56 0.10 0.00 0.21 0.00 0.00 52.86 52.86 1gth s ASN 668 Cb -0.14 -2.56 0.43 0.00 -0.55 0.00 0.00 41.25 38.44 1gth s ASN 668 CO 0.18 -1.83 1.23 0.18 -2.79 0.00 0.00 177.10 174.07 1gth n LEU 669 N 9.57 3.22 -0.25 3.21 4.77 -1.22 -4.43 117.00 131.87 1gth n LEU 669 Ca 0.09 -4.07 0.00 0.00 -0.03 0.00 0.00 56.01 52.01 1gth n LEU 669 Cb 0.49 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1gth n LEU 669 CO 0.70 1.54 0.22 -1.54 -1.33 0.00 0.00 177.39 176.98 1gth n SER 670 N -1.04 0.00 -4.61 -1.43 3.41 -1.23 -3.05 113.62 105.67 1gth n SER 670 Ca 0.25 -1.40 -0.43 0.00 -0.26 0.00 0.00 58.87 57.03 1gth n SER 670 Cb 0.76 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.60 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 8.43 0.34 -3.86 0.00 -0.04 -1.26 -1.47 135.00 137.14 1gth n PRO 672 Ca 0.25 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.64 1gth n PRO 672 Cb 0.46 -1.44 -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 -0.15 0.00 0.54 -3.43 -1.26 -4.89 115.29 104.10 1gth s HIS 673 Ca 0.14 -0.32 0.00 0.00 -0.80 0.00 0.00 55.06 54.08 1gth s HIS 673 Cb 0.06 0.70 0.00 0.00 -1.43 0.00 0.00 32.58 31.92 1gth s HIS 673 CO 0.11 -1.26 0.00 0.41 -2.00 0.00 0.00 174.74 172.00 1gth n GLY 674 N -0.46 0.13 0.28 -1.38 0.00 -1.26 -4.04 105.19 98.46 1gth n GLY 674 Ca -0.04 -0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.66 1.61 2.86 -1.86 -2.82 114.93 114.06 1gth h MET 675 Ca 0.00 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 1gth h MET 675 Cb 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 1gth h MET 675 CO 0.00 0.08 0.43 0.78 1.06 0.00 0.00 176.91 179.26 1gth h GLY 676 N 0.63 0.88 1.54 8.32 0.00 -1.66 0.13 103.07 112.92 1gth h GLY 676 Ca -0.00 -0.30 -0.14 0.00 0.00 0.00 0.00 47.33 46.88 1gth h GLY 676 CO 0.01 0.26 -0.50 0.83 0.00 0.00 0.00 176.54 177.14 1gth h GLU 677 N 0.76 0.49 -0.06 4.80 5.08 -1.78 -2.08 114.58 121.80 1gth h GLU 677 Ca 0.27 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1gth h GLU 677 Cb 0.11 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1gth h GLU 677 CO -0.08 0.88 0.00 0.54 -1.00 0.00 0.00 179.01 179.35 1gth n ARG 678 N -3.98 1.16 -2.36 2.33 1.74 -0.72 -4.87 116.66 109.96 1gth n ARG 678 Ca -0.02 -0.25 0.00 0.00 -0.77 0.00 0.00 57.85 56.80 1gth n ARG 678 Cb 0.57 -1.16 0.00 0.00 -1.02 0.00 0.00 32.46 30.84 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 0.72 0.92 0.35 -0.13 0.00 -0.78 -4.93 105.19 101.34 1gth n GLY 679 Ca 0.07 -0.64 -0.02 0.00 0.00 0.00 0.00 46.02 45.44 1gth n GLY 679 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1gth n MET 680 N -0.52 0.07 0.00 1.61 2.81 0.37 -4.02 117.12 117.44 1gth n MET 680 Ca 0.00 -0.30 0.00 0.00 -1.81 0.00 0.00 57.70 55.59 1gth n MET 680 Cb 0.48 0.28 0.00 0.00 -0.71 0.00 0.00 33.22 33.27 1gth n MET 680 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1gth n GLY 681 N -0.06 1.54 0.29 3.03 0.00 -1.26 -2.39 105.19 106.34 1gth n GLY 681 Ca 0.00 0.43 0.16 0.00 0.00 0.00 0.00 46.02 46.61 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 0.00 0.44 0.99 5.85 -1.45 -2.43 115.31 118.71 1gth h LEU 682 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1gth h LEU 682 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1gth h LEU 682 CO 0.00 0.04 -0.21 0.00 -0.34 0.00 0.00 178.44 177.93 1gth h ALA 683 N 1.96 -0.59 0.00 1.25 0.00 -1.78 -3.29 119.26 116.81 1gth h ALA 683 Ca -0.00 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1gth h ALA 683 Cb 0.12 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1gth h ALA 683 CO 0.01 -0.67 -0.41 0.00 0.00 0.00 0.00 179.25 178.17 1gth n GLY 685 N 0.67 -0.28 0.00 0.00 0.00 -0.92 -3.73 105.19 100.92 1gth n GLY 685 Ca 0.01 -0.35 0.09 0.00 0.00 0.00 0.00 46.02 45.76 1gth n GLY 685 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1gth n GLN 686 N -0.17 0.85 -3.72 1.61 6.02 -1.24 -4.66 117.38 116.07 1gth n GLN 686 Ca 0.19 -0.04 -0.38 0.00 -0.01 0.00 0.00 57.00 56.76 1gth n GLN 686 Cb 0.27 -1.39 -0.12 0.00 1.02 0.00 0.00 30.24 30.02 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 -3.07 5.33 0.33 1.08 -1.08 -1.24 -4.99 116.67 113.03 1gth s ASP 687 Ca 0.04 -0.93 0.11 0.00 -0.52 0.00 0.00 52.55 51.25 1gth s ASP 687 Cb 0.13 -1.91 0.95 0.00 -1.46 0.00 0.00 42.92 40.64 1gth s ASP 687 CO 0.76 -0.28 1.70 -0.65 0.52 0.00 0.00 175.17 177.22 1gth h PRO 688 N 8.27 0.45 -0.01 4.34 0.11 -1.88 -1.10 132.00 142.18 1gth h PRO 688 Ca -0.27 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.81 1gth h PRO 688 Cb 1.11 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 1gth h PRO 688 CO 0.62 0.30 0.01 1.49 -0.21 0.00 0.00 178.00 180.20 1gth h GLU 689 N 0.47 0.02 -0.65 1.05 4.81 -1.94 -0.98 114.58 117.35 1gth h GLU 689 Ca 0.67 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.87 1gth h GLU 689 Cb 1.38 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.73 1gth h GLU 689 CO -0.53 0.13 0.27 -0.07 -0.73 0.00 0.00 179.01 178.08 1gth h LEU 690 N -0.10 0.89 -0.38 1.64 3.38 -1.52 -1.94 115.31 117.29 1gth h LEU 690 Ca 0.00 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.82 1gth h LEU 690 Cb 0.12 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1gth h LEU 690 CO -0.00 0.81 0.22 0.58 0.09 0.00 0.00 178.44 180.14 1gth h VAL 691 N 0.91 1.05 -0.52 1.22 2.07 -1.19 -1.19 116.25 118.60 1gth h VAL 691 Ca 0.22 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.60 1gth h VAL 691 Cb 0.19 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1gth h VAL 691 CO -0.02 0.08 0.32 -0.09 0.02 0.00 0.00 177.57 177.89 1gth h ARG 692 N 0.46 0.63 -0.41 1.57 2.43 -0.86 -2.04 114.38 116.16 1gth h ARG 692 Ca 0.15 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 1gth h ARG 692 Cb -0.00 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 1gth h ARG 692 CO -0.07 0.42 0.03 -0.91 -1.51 0.00 0.00 179.97 177.93 1gth h ASN 693 N 0.65 0.69 -0.66 -3.80 2.35 -1.04 -1.47 115.58 112.29 1gth h ASN 693 Ca 0.20 -0.29 0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1gth h ASN 693 Cb -0.02 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.13 1gth h ASN 693 CO -0.07 0.80 0.43 0.40 -1.65 0.00 0.00 177.43 177.34 1gth h ILE 694 N 0.55 1.14 -0.36 2.81 2.04 -1.08 -0.24 117.51 122.38 1gth h ILE 694 Ca 0.12 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.62 1gth h ILE 694 Cb 0.43 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 1gth h ILE 694 CO 0.02 0.16 -0.05 0.00 0.00 0.00 0.00 178.15 178.28 1gth h ARG 696 N 0.55 0.96 -0.74 0.00 3.08 -0.39 0.76 114.38 118.59 1gth h ARG 696 Ca 0.11 -0.35 -0.04 0.00 0.07 0.00 0.00 59.98 59.77 1gth h ARG 696 Cb 0.42 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 1gth h ARG 696 CO 0.02 1.02 0.33 -1.49 -1.07 0.00 0.00 179.97 178.78 1gth h TRP 697 N 0.82 1.10 -0.13 3.04 6.55 -0.74 -2.49 115.95 124.10 1gth h TRP 697 Ca 0.13 -0.07 -0.18 0.00 0.95 0.00 0.00 58.89 59.73 1gth h TRP 697 Cb 0.65 -0.34 0.01 0.00 -0.86 0.00 0.00 29.16 28.62 1gth h TRP 697 CO 0.05 0.83 -0.60 0.28 -1.05 0.00 0.00 178.44 177.95 1gth h VAL 698 N 1.06 1.33 -0.94 1.49 2.07 -1.24 -2.75 116.25 117.27 1gth h VAL 698 Ca 0.25 -1.87 0.10 0.00 0.82 0.00 0.00 66.70 66.00 1gth h VAL 698 Cb 0.17 2.08 -0.08 0.00 -1.52 0.00 0.00 31.29 31.95 1gth h VAL 698 CO -0.03 0.58 0.58 -0.09 0.02 0.00 0.00 177.57 178.63 1gth h ARG 699 N 0.30 0.94 0.00 1.57 9.65 -0.72 -0.42 114.38 125.70 1gth h ARG 699 Ca -0.04 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 1gth h ARG 699 Cb 1.24 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 29.61 1gth h ARG 699 CO 0.13 0.62 -0.09 0.00 2.80 0.00 0.00 179.97 183.42 1gth n GLN 700 N -4.64 0.13 0.00 0.20 10.64 -0.95 -3.82 117.38 118.95 1gth n GLN 700 Ca 0.16 0.09 -0.13 0.00 -1.83 0.00 0.00 57.00 55.29 1gth n GLN 700 Cb 0.29 -1.64 -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 2.77 0.60 -2.20 2.61 0.00 -0.80 -3.49 119.26 118.76 1gth h ALA 701 Ca 0.00 -1.38 -0.38 0.00 0.00 0.00 0.00 54.91 53.15 1gth h ALA 701 Cb 0.61 0.50 -0.14 0.00 0.00 0.00 0.00 17.79 18.76 1gth h ALA 701 CO 0.00 1.44 -0.67 0.14 0.00 0.00 0.00 179.25 180.17 1gth s VAL 702 N -2.59 1.09 -0.02 0.00 -7.23 -0.65 -4.77 120.40 106.23 1gth s VAL 702 Ca -0.10 -2.04 0.14 0.00 -1.81 0.00 0.00 61.98 58.16 1gth s VAL 702 Cb 0.07 -2.28 -0.21 0.00 0.56 0.00 0.00 36.38 34.53 1gth s VAL 702 CO 0.81 -0.38 0.30 0.00 -0.31 0.00 0.00 175.10 175.52 1gth n GLN 703 N -0.39 0.44 -1.48 4.82 6.02 -1.26 -4.74 117.38 120.79 1gth n GLN 703 Ca -0.06 -0.12 -0.31 0.00 -0.01 0.00 0.00 57.00 56.50 1gth n GLN 703 Cb 0.63 -1.33 0.06 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 -2.94 3.67 0.79 5.09 -4.36 -1.26 -5.00 121.20 117.19 1gth s ILE 704 Ca -0.05 0.57 -0.11 0.00 -0.26 0.00 0.00 60.65 60.80 1gth s ILE 704 Cb 0.09 -3.18 0.07 0.00 1.25 0.00 0.00 42.46 40.69 1gth s ILE 704 CO 0.57 -0.68 1.11 -2.16 0.24 0.00 0.00 174.94 174.02 1gth s PRO 705 N -4.86 2.06 -0.03 0.37 0.04 -1.26 -4.88 135.00 126.44 1gth s PRO 705 Ca 0.60 1.28 -0.15 0.00 0.04 0.00 0.00 61.00 62.77 1gth s PRO 705 Cb -0.16 -1.87 0.03 0.00 0.04 0.00 0.00 34.50 32.54 1gth s PRO 705 CO 0.53 -1.81 0.33 -0.59 0.04 0.00 0.00 177.00 175.51 1gth s PHE 706 N -2.77 -0.23 0.03 0.56 -0.12 -1.26 -2.02 117.98 112.17 1gth s PHE 706 Ca 0.63 0.40 0.07 0.00 -0.05 0.00 0.00 56.93 57.97 1gth s PHE 706 Cb -0.19 0.11 -0.02 0.00 -0.63 0.00 0.00 43.02 42.29 1gth s PHE 706 CO 0.55 -0.37 -0.20 -0.06 -0.05 0.00 0.00 175.22 175.09 1gth s PHE 707 N -1.12 1.72 -0.22 3.49 0.40 0.11 -1.28 117.98 121.09 1gth s PHE 707 Ca -0.12 -0.36 -0.15 0.00 -0.60 0.00 0.00 56.93 55.70 1gth s PHE 707 Cb -0.05 -1.04 -0.04 0.00 0.51 0.00 0.00 43.02 42.40 1gth s PHE 707 CO 0.04 0.06 0.36 0.00 0.70 0.00 0.00 175.22 176.39 1gth s ALA 708 N -0.74 3.57 -0.39 5.36 0.00 -0.93 0.21 121.76 128.83 1gth s ALA 708 Ca 0.07 -0.61 -0.23 0.00 0.00 0.00 0.00 51.96 51.18 1gth s ALA 708 Cb -0.08 -2.60 0.01 0.00 0.00 0.00 0.00 23.12 20.45 1gth s ALA 708 CO 0.01 -0.33 0.79 0.21 0.00 0.00 0.00 175.76 176.44 1gth s LYS 709 N 1.38 3.64 0.27 0.00 2.20 -0.23 -0.78 119.74 126.23 1gth s LYS 709 Ca 0.17 0.18 -0.13 0.00 -0.36 0.00 0.00 55.97 55.83 1gth s LYS 709 Cb -0.15 -3.85 -0.08 0.00 -1.51 0.00 0.00 37.83 32.24 1gth s LYS 709 CO 0.08 -0.95 0.65 -0.51 -0.36 0.00 0.00 175.35 174.26 1gth s LEU 710 N 3.19 4.13 0.11 5.43 1.43 -0.10 -3.37 118.68 129.51 1gth s LEU 710 Ca 0.31 1.13 -0.10 0.00 -1.03 0.00 0.00 54.13 54.45 1gth s LEU 710 Cb -0.13 -3.86 -0.06 0.00 0.03 0.00 0.00 46.19 42.17 1gth s LEU 710 CO 0.19 -0.13 0.43 0.28 0.23 0.00 0.00 176.35 177.35 1gth s THR 711 N -1.87 5.06 -0.93 5.49 -1.32 -1.26 -1.20 115.64 119.61 1gth s THR 711 Ca 0.50 0.43 0.26 0.00 -1.21 0.00 0.00 61.69 61.67 1gth s THR 711 Cb -0.11 -3.65 0.06 0.00 -1.51 0.00 0.00 72.50 67.29 1gth s THR 711 CO 0.19 0.20 1.49 -0.81 -2.21 0.00 0.00 174.62 173.48 1gth n PRO 712 N 0.65 0.06 -1.41 7.08 -0.04 -1.26 -4.47 135.00 135.60 1gth n PRO 712 Ca -0.06 0.02 -0.38 0.00 -0.04 0.00 0.00 63.50 63.04 1gth n PRO 712 Cb 0.52 -1.54 -0.03 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.62 8.58 -3.83 3.54 3.02 -1.26 -4.83 115.26 118.86 1gth n ASN 713 Ca 0.05 -2.66 -0.10 0.00 -0.03 0.00 0.00 54.58 51.84 1gth n ASN 713 Cb 0.36 -1.52 -0.08 0.00 -0.61 0.00 0.00 39.78 37.92 1gth n ASN 713 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1gth s VAL 714 N 1.59 0.11 0.12 2.41 -7.23 -1.26 -5.00 120.40 111.15 1gth s VAL 714 Ca 0.67 -0.90 -0.18 0.00 -1.81 0.00 0.00 61.98 59.77 1gth s VAL 714 Cb 0.19 -0.99 -0.03 0.00 0.56 0.00 0.00 36.38 36.10 1gth s VAL 714 CO -0.06 -0.49 1.69 0.74 -0.31 0.00 0.00 175.10 176.66 1gth h THR 715 N 3.28 1.16 -3.09 5.32 2.02 -1.96 -3.40 112.91 116.24 1gth h THR 715 Ca -0.32 -0.48 -0.57 0.00 0.77 0.00 0.00 66.41 65.80 1gth h THR 715 Cb 1.20 0.89 -0.40 0.00 -1.74 0.00 0.00 68.15 68.10 1gth h THR 715 CO 0.49 0.17 -0.76 -0.62 0.37 0.00 0.00 175.52 175.17 1gth s ASP 716 N -5.70 3.95 0.47 4.18 3.68 -1.26 -4.99 116.67 117.00 1gth s ASP 716 Ca -0.13 -1.58 0.23 0.00 2.13 0.00 0.00 52.55 53.20 1gth s ASP 716 Cb 0.09 -0.78 1.14 0.00 -1.45 0.00 0.00 42.92 41.92 1gth s ASP 716 CO 0.73 -0.42 1.94 -0.29 0.13 0.00 0.00 175.17 177.26 1gth h ILE 717 N 6.48 0.70 -0.49 4.11 2.10 -1.91 -2.69 117.51 125.81 1gth h ILE 717 Ca -0.15 -0.88 -0.04 0.00 1.08 0.00 0.00 64.86 64.87 1gth h ILE 717 Cb 1.01 1.55 -0.02 0.00 -1.09 0.00 0.00 36.82 38.27 1gth h ILE 717 CO 0.47 0.20 0.13 0.58 -1.08 0.00 0.00 178.15 178.45 1gth h VAL 718 N 0.00 1.20 -0.90 2.19 2.07 -1.94 -1.58 116.25 117.29 1gth h VAL 718 Ca -0.00 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 1gth h VAL 718 Cb 0.54 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1gth h VAL 718 CO 0.03 0.26 0.52 0.77 0.02 0.00 0.00 177.57 179.17 1gth h SER 719 N 0.71 1.11 -0.30 0.57 4.64 -1.91 0.93 113.55 119.30 1gth h SER 719 Ca 0.16 -0.09 -0.17 0.00 -0.47 0.00 0.00 61.79 61.23 1gth h SER 719 Cb 0.24 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1gth h SER 719 CO -0.01 0.87 -0.48 0.40 -0.87 0.00 0.00 176.83 176.75 1gth h ILE 720 N 1.26 1.28 -0.52 0.95 1.08 -1.57 -1.43 117.51 118.55 1gth h ILE 720 Ca 0.32 -1.66 -0.05 0.00 -0.39 0.00 0.00 64.86 63.08 1gth h ILE 720 Cb -0.01 1.61 -0.02 0.00 -3.07 0.00 0.00 36.82 35.33 1gth h ILE 720 CO -0.06 0.54 0.14 0.00 -0.69 0.00 0.00 178.15 178.09 1gth h ALA 721 N 0.69 0.69 -0.73 1.87 0.00 -0.94 -1.31 119.26 119.53 1gth h ALA 721 Ca 0.02 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1gth h ALA 721 Cb 1.08 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1gth h ALA 721 CO 0.11 0.36 0.19 -0.09 0.00 0.00 0.00 179.25 179.83 1gth h ARG 722 N 0.72 1.15 -0.87 0.00 2.43 -0.79 -1.59 114.38 115.43 1gth h ARG 722 Ca 0.17 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1gth h ARG 722 Cb 0.31 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 1gth h ARG 722 CO -0.00 1.00 0.51 0.00 -1.51 0.00 0.00 179.97 179.98 1gth h ALA 723 N 1.10 1.12 -0.51 2.80 0.00 -0.91 0.06 119.26 122.92 1gth h ALA 723 Ca 0.23 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1gth h ALA 723 Cb 0.36 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1gth h ALA 723 CO -0.00 0.59 0.17 0.00 0.00 0.00 0.00 179.25 180.01 1gth h ALA 724 N 1.28 0.67 -0.59 0.00 0.00 -0.79 -0.41 119.26 119.41 1gth h ALA 724 Ca 0.31 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1gth h ALA 724 Cb -0.03 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1gth h ALA 724 CO -0.06 0.31 0.21 -0.22 0.00 0.00 0.00 179.25 179.50 1gth h LYS 725 N 0.69 0.90 0.00 0.00 3.64 -0.78 -0.54 116.57 120.49 1gth h LYS 725 Ca 0.17 -0.18 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1gth h LYS 725 Cb 0.25 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1gth h LYS 725 CO -0.01 0.79 -0.28 0.93 -2.27 0.00 0.00 179.45 178.61 1gth h GLU 726 N 0.83 0.00 0.00 1.90 5.08 -0.75 -1.99 114.58 119.65 1gth h GLU 726 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1gth h GLU 726 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1gth h GLU 726 CO -0.01 0.28 0.00 0.41 -1.00 0.00 0.00 179.01 178.69 1gth n GLY 727 N -0.53 -1.37 0.00 -3.84 0.00 -0.18 -4.89 105.19 94.38 1gth n GLY 727 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 1.26 0.86 3.75 -0.02 0.00 -0.75 -2.62 105.19 107.67 1gth n GLY 728 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 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 2.78 -1.88 4.61 0.00 -0.27 -4.90 121.76 120.09 1gth s ALA 729 Ca 0.00 1.26 0.28 0.00 0.00 0.00 0.00 51.96 53.49 1gth s ALA 729 Cb 0.00 -3.54 1.02 0.00 0.00 0.00 0.00 23.12 20.60 1gth s ALA 729 CO 0.00 -1.30 1.73 -0.25 0.00 0.00 0.00 175.76 175.94 1gth n ASP 730 N -1.09 0.90 0.00 0.00 8.00 -0.40 -4.63 116.55 119.32 1gth n ASP 730 Ca 0.11 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.69 1gth n ASP 730 Cb 0.46 0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 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 1.27 -2.32 3.07 0.44 0.00 -1.24 -4.26 105.19 102.15 1gth n GLY 731 Ca 0.15 -1.22 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.02 0.54 -0.24 1.61 -7.23 -0.70 -2.18 120.40 110.17 1gth s VAL 732 Ca 0.00 -1.20 -0.08 0.00 -1.81 0.00 0.00 61.98 58.89 1gth s VAL 732 Cb 0.00 -0.76 -0.03 0.00 0.56 0.00 0.00 36.38 36.15 1gth s VAL 732 CO 0.00 -0.46 0.09 -0.89 -0.31 0.00 0.00 175.10 173.53 1gth s THR 733 N -1.73 4.58 -0.15 5.32 2.01 0.04 -0.81 115.64 124.89 1gth s THR 733 Ca -0.07 -0.08 -0.00 0.00 0.31 0.00 0.00 61.69 61.84 1gth s THR 733 Cb -0.08 -3.14 0.03 0.00 0.01 0.00 0.00 72.50 69.33 1gth s THR 733 CO -0.01 0.34 -0.08 0.00 -0.69 0.00 0.00 174.62 174.19 1gth s ALA 734 N 1.42 1.56 0.31 7.40 0.00 -0.10 -0.92 121.76 131.42 1gth s ALA 734 Ca 0.06 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.23 1gth s ALA 734 Cb -0.15 -1.08 -0.02 0.00 0.00 0.00 0.00 23.12 21.87 1gth s ALA 734 CO 0.05 -0.63 0.31 0.95 0.00 0.00 0.00 175.76 176.43 1gth s THR 735 N 1.60 0.00 0.44 0.00 -4.23 -0.09 -1.08 115.64 112.28 1gth s THR 735 Ca 0.02 -1.88 -0.06 0.00 -1.18 0.00 0.00 61.69 58.58 1gth s THR 735 Cb -0.14 -2.53 0.10 0.00 1.34 0.00 0.00 72.50 71.27 1gth s THR 735 CO -0.08 0.00 0.59 -3.20 -0.54 0.00 0.00 174.62 171.39 1gth n ASN 736 N -1.28 0.17 -4.77 3.99 2.85 -0.34 -4.55 115.26 111.34 1gth n ASN 736 Ca 0.05 -1.29 -0.33 0.00 -0.11 0.00 0.00 54.58 52.89 1gth n ASN 736 Cb 0.63 -0.44 0.05 0.00 1.24 0.00 0.00 39.78 41.25 1gth n ASN 736 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1gth s THR 737 N -2.16 3.13 -0.03 -0.44 -4.23 -1.26 -4.48 115.64 106.17 1gth s THR 737 Ca 0.35 0.55 -0.22 0.00 -1.18 0.00 0.00 61.69 61.18 1gth s THR 737 Cb -0.01 -3.08 -0.05 0.00 1.34 0.00 0.00 72.50 70.70 1gth s THR 737 CO 0.24 -0.30 0.65 -0.69 -0.54 0.00 0.00 174.62 173.98 1gth s VAL 738 N -2.24 4.95 0.08 2.29 1.01 -0.73 -4.59 120.40 121.16 1gth s VAL 738 Ca 0.68 1.36 -0.31 0.00 0.00 0.00 0.00 61.98 63.72 1gth s VAL 738 Cb -0.22 -3.99 -0.08 0.00 0.00 0.00 0.00 36.38 32.09 1gth s VAL 738 CO 0.40 0.34 1.49 -0.55 0.00 0.00 0.00 175.10 176.78 1gth s SER 739 N 0.25 6.74 0.22 3.32 0.15 -1.26 0.77 113.70 123.90 1gth s SER 739 Ca 0.34 2.35 -0.19 0.00 0.70 0.00 0.00 55.95 59.15 1gth s SER 739 Cb -0.18 -2.57 0.07 0.00 -1.71 0.00 0.00 66.02 61.62 1gth s SER 739 CO 0.18 -0.76 0.92 0.61 1.20 0.00 0.00 173.24 175.40 1gth n GLY 740 N 3.71 0.73 2.85 9.45 0.00 -0.74 -4.89 105.19 116.30 1gth n GLY 740 Ca 0.13 -1.16 -0.27 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 1.42 0.22 0.99 2.96 -1.26 -1.52 118.68 121.48 1gth s LEU 741 Ca 0.20 -0.61 0.22 0.00 -0.22 0.00 0.00 54.13 53.72 1gth s LEU 741 Cb -0.03 -0.80 0.93 0.00 0.50 0.00 0.00 46.19 46.79 1gth s LEU 741 CO 0.07 -0.20 1.68 0.80 -1.32 0.00 0.00 176.35 177.37 1gth n MET 742 N 4.94 0.17 0.00 1.98 0.00 -1.26 -4.98 117.12 117.96 1gth n MET 742 Ca -0.11 0.39 0.00 0.00 -0.00 0.00 0.00 57.70 57.98 1gth n MET 742 Cb 0.48 -1.82 0.00 0.00 0.00 0.00 0.00 33.22 31.88 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 0.05 3.13 3.24 -5.12 0.00 -1.26 -4.61 105.19 100.62 1gth n GLY 743 Ca 0.02 -1.73 -0.17 0.00 0.00 0.00 0.00 46.02 44.15 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 2.43 0.69 0.99 1.43 -1.26 -3.00 118.68 119.96 1gth s LEU 744 Ca 0.00 -0.85 -0.09 0.00 -1.03 0.00 0.00 54.13 52.16 1gth s LEU 744 Cb 0.00 -0.49 0.03 0.00 0.03 0.00 0.00 46.19 45.76 1gth s LEU 744 CO 0.00 -0.19 1.04 -0.54 0.23 0.00 0.00 176.35 176.89 1gth s LYS 745 N -2.88 2.59 0.63 1.70 1.02 0.78 -4.91 119.74 118.66 1gth s LYS 745 Ca 0.10 0.13 0.34 0.00 0.02 0.00 0.00 55.97 56.56 1gth s LYS 745 Cb -0.03 -2.11 1.90 0.00 -0.52 0.00 0.00 37.83 37.06 1gth s LYS 745 CO 0.02 -1.08 2.15 0.00 -0.92 0.00 0.00 175.35 175.52 1gth h ALA 746 N -0.58 1.44 -0.12 5.17 0.00 -2.02 0.58 119.26 123.73 1gth h ALA 746 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1gth h ALA 746 Cb 1.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1gth h ALA 746 CO 0.63 -0.20 0.00 -0.40 0.00 0.00 0.00 179.25 179.27 1gth n ASP 747 N -3.37 1.20 0.00 0.00 3.85 -1.26 -4.91 116.55 112.07 1gth n ASP 747 Ca -0.01 -1.63 0.00 0.00 -0.71 0.00 0.00 54.79 52.44 1gth n ASP 747 Cb 0.25 -0.07 0.00 0.00 -1.35 0.00 0.00 41.12 39.95 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 1.04 1.18 3.78 6.12 0.00 0.20 -5.05 105.19 112.46 1gth n GLY 748 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.36 4.06 0.70 2.61 -4.23 -1.26 -4.73 115.64 110.43 1gth s THR 749 Ca 0.00 1.63 -0.06 0.00 -1.18 0.00 0.00 61.69 62.07 1gth s THR 749 Cb 0.00 -3.86 0.06 0.00 1.34 0.00 0.00 72.50 70.04 1gth s THR 749 CO 0.00 0.05 1.01 -2.16 -0.54 0.00 0.00 174.62 172.98 1gth s PRO 750 N -2.30 2.19 -0.10 3.99 0.04 -1.26 -0.16 135.00 137.41 1gth s PRO 750 Ca 0.54 -0.28 -0.04 0.00 0.04 0.00 0.00 61.00 61.26 1gth s PRO 750 Cb -0.19 -2.18 0.05 0.00 0.04 0.00 0.00 34.50 32.22 1gth s PRO 750 CO 0.24 -1.23 0.18 -0.46 0.04 0.00 0.00 177.00 175.77 1gth s TRP 751 N -3.23 -0.21 0.59 0.56 -0.11 -1.16 -3.55 118.94 111.82 1gth s TRP 751 Ca 0.60 0.63 -0.19 0.00 1.22 0.00 0.00 56.10 58.36 1gth s TRP 751 Cb -0.11 -0.24 -0.04 0.00 -1.50 0.00 0.00 33.47 31.58 1gth s TRP 751 CO 0.44 -0.30 1.21 -1.25 -4.62 0.00 0.00 176.95 172.43 1gth s PRO 752 N 2.31 2.99 -0.12 5.86 0.04 -1.26 -4.43 135.00 140.38 1gth s PRO 752 Ca 0.03 1.82 0.01 0.00 0.04 0.00 0.00 61.00 62.90 1gth s PRO 752 Cb -0.12 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.50 1gth s PRO 752 CO -0.06 -1.19 -0.16 0.00 0.04 0.00 0.00 177.00 175.63 1gth s ALA 753 N -1.60 1.79 -0.16 8.56 0.00 -1.23 -4.51 121.76 124.62 1gth s ALA 753 Ca 0.77 -0.81 -0.05 0.00 0.00 0.00 0.00 51.96 51.87 1gth s ALA 753 Cb -0.30 -0.91 -0.03 0.00 0.00 0.00 0.00 23.12 21.88 1gth s ALA 753 CO 0.33 -0.15 0.00 0.08 0.00 0.00 0.00 175.76 176.02 1gth s VAL 754 N 1.10 4.28 0.12 0.00 1.01 0.14 -4.36 120.40 122.69 1gth s VAL 754 Ca -0.04 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1gth s VAL 754 Cb -0.14 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.35 1gth s VAL 754 CO -0.04 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1gth n GLY 755 N 3.33 -1.66 0.27 4.51 0.00 -1.26 -1.74 105.19 108.64 1gth n GLY 755 Ca -0.17 -1.41 0.13 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.41 1.32 0.00 4.61 0.00 -2.01 -1.02 119.26 121.76 1gth h ALA 756 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1gth h ALA 756 Cb 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1gth h ALA 756 CO 0.01 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.79 1gth n GLY 757 N -0.80 -1.22 3.80 0.00 0.00 -1.26 -4.92 105.19 100.79 1gth n GLY 757 Ca -0.02 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.31 -4.16 -3.04 1.61 5.02 -0.39 -4.96 118.16 110.94 1gth n LYS 758 Ca 0.12 0.53 -0.24 0.00 -2.02 0.00 0.00 58.31 56.70 1gth n LYS 758 Cb 0.23 -4.89 0.00 0.00 -0.02 0.00 0.00 35.03 30.35 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 -6.21 3.22 0.36 1.97 0.52 -0.71 -4.46 118.95 113.63 1gth s ARG 759 Ca 0.01 -0.36 -0.10 0.00 -0.52 0.00 0.00 55.73 54.76 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 0.84 -0.16 0.63 -0.08 0.02 0.00 0.00 175.30 176.55 1gth s THR 760 N -2.52 0.00 0.13 0.02 -1.32 -1.26 0.23 115.64 110.92 1gth s THR 760 Ca 0.46 -1.30 -0.13 0.00 -1.21 0.00 0.00 61.69 59.51 1gth s THR 760 Cb -0.10 -2.70 0.02 0.00 -1.51 0.00 0.00 72.50 68.20 1gth s THR 760 CO 0.38 0.00 0.34 0.28 -2.21 0.00 0.00 174.62 173.41 1gth s THR 761 N -2.79 0.08 0.26 5.08 -1.32 -1.26 -5.07 115.64 110.62 1gth s THR 761 Ca 0.23 -0.87 -0.31 0.00 -1.21 0.00 0.00 61.69 59.53 1gth s THR 761 Cb -0.03 -1.34 -0.13 0.00 -1.51 0.00 0.00 72.50 69.49 1gth s THR 761 CO 0.15 -0.39 1.43 -1.22 -2.21 0.00 0.00 174.62 172.38 1gth n TYR 762 N -0.19 2.29 -3.57 9.09 0.53 -1.26 -4.99 117.16 119.07 1gth n TYR 762 Ca -0.14 0.41 0.00 0.00 -1.02 0.00 0.00 57.90 57.15 1gth n TYR 762 Cb 0.63 -2.48 0.00 0.00 -1.03 0.00 0.00 39.34 36.46 1gth n TYR 762 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1gth n GLY 763 N 2.03 4.24 3.38 2.72 0.00 -0.58 -4.73 105.19 112.24 1gth n GLY 763 Ca 0.10 -2.16 -0.34 0.00 0.00 0.00 0.00 46.02 43.63 1gth n GLY 763 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gth s GLY 764 N -1.03 1.61 -0.03 -0.02 0.00 0.10 -1.78 107.32 106.17 1gth s GLY 764 Ca 0.00 -0.98 -0.20 0.00 0.00 0.00 0.00 44.72 43.54 1gth s GLY 764 CO 0.00 0.08 0.58 0.14 0.00 0.00 0.00 173.10 173.90 1gth s VAL 765 N 0.80 4.97 0.34 1.40 1.01 0.23 -1.53 120.40 127.62 1gth s VAL 765 Ca -0.03 1.20 0.03 0.00 0.00 0.00 0.00 61.98 63.19 1gth s VAL 765 Cb -0.15 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1gth s VAL 765 CO 0.01 0.39 0.10 -0.94 0.00 0.00 0.00 175.10 174.67 1gth s SER 766 N 0.01 2.16 0.00 3.32 1.04 -0.12 -1.78 113.70 118.33 1gth s SER 766 Ca 0.31 -1.51 0.00 0.00 0.48 0.00 0.00 55.95 55.23 1gth s SER 766 Cb -0.18 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1gth s SER 766 CO 0.16 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.21 1gth n GLY 767 N -0.70 -2.95 0.31 7.32 0.00 -1.26 -2.10 105.19 105.80 1gth n GLY 767 Ca -0.03 -2.09 0.18 0.00 0.00 0.00 0.00 46.02 44.08 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 0.31 0.00 2.61 1.35 -1.75 -1.99 112.91 113.44 1gth h THR 768 Ca 0.00 -0.10 -0.02 0.00 -0.55 0.00 0.00 66.41 65.74 1gth h THR 768 Cb 0.00 1.07 -0.00 0.00 -1.73 0.00 0.00 68.15 67.49 1gth h THR 768 CO 0.00 0.02 -0.11 0.00 -0.25 0.00 0.00 175.52 175.17 1gth h ALA 769 N 1.98 1.35 -0.20 6.62 0.00 -1.19 -2.54 119.26 125.28 1gth h ALA 769 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1gth h ALA 769 Cb 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1gth h ALA 769 CO 0.00 0.14 0.00 0.44 0.00 0.00 0.00 179.25 179.83 1gth n ILE 770 N -3.73 0.30 -0.35 0.00 -5.35 -0.75 -4.56 119.36 104.92 1gth n ILE 770 Ca -0.02 -0.65 0.03 0.00 -0.27 0.00 0.00 62.75 61.84 1gth n ILE 770 Cb 0.22 1.14 0.18 0.00 -1.74 0.00 0.00 39.64 39.44 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 3.76 1.03 -0.69 6.28 2.43 -1.47 -1.66 114.38 124.05 1gth h ARG 771 Ca 0.00 -0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.18 1gth h ARG 771 Cb 0.84 -0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 30.12 1gth h ARG 771 CO 0.00 0.68 0.45 -1.35 -1.51 0.00 0.00 179.97 178.24 1gth h PRO 772 N 1.06 0.65 -0.14 0.20 0.11 -1.80 0.35 132.00 132.42 1gth h PRO 772 Ca 0.43 -0.04 -0.21 0.00 0.11 0.00 0.00 66.00 66.29 1gth h PRO 772 Cb 0.25 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 31.22 1gth h PRO 772 CO -0.20 0.43 -0.76 0.82 -0.21 0.00 0.00 178.00 178.09 1gth h ILE 773 N 0.67 1.30 -0.22 4.15 2.04 -1.66 -2.51 117.51 121.28 1gth h ILE 773 Ca 0.30 -2.00 -0.17 0.00 1.00 0.00 0.00 64.86 64.00 1gth h ILE 773 Cb 0.31 1.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 1gth h ILE 773 CO -0.10 0.63 -0.52 0.00 0.00 0.00 0.00 178.15 178.16 1gth h ALA 774 N 0.65 0.35 -0.67 1.87 0.00 -0.43 -2.06 119.26 118.98 1gth h ALA 774 Ca -0.04 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 1gth h ALA 774 Cb 1.37 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1gth h ALA 774 CO 0.15 0.55 0.30 -0.07 0.00 0.00 0.00 179.25 180.18 1gth h LEU 775 N 0.46 0.89 -0.43 0.00 3.38 -0.40 0.31 115.31 119.52 1gth h LEU 775 Ca -0.00 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1gth h LEU 775 Cb 1.14 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1gth h LEU 775 CO 0.11 0.79 0.21 -0.09 0.09 0.00 0.00 178.44 179.55 1gth h ARG 776 N 0.93 0.61 -0.40 1.13 2.43 -1.42 -1.06 114.38 116.60 1gth h ARG 776 Ca 0.23 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1gth h ARG 776 Cb 0.15 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1gth h ARG 776 CO -0.02 0.53 0.26 0.00 -1.51 0.00 0.00 179.97 179.22 1gth h ALA 777 N 1.05 0.51 -0.28 2.80 0.00 -0.96 -0.49 119.26 121.89 1gth h ALA 777 Ca 0.15 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1gth h ALA 777 Cb 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1gth h ALA 777 CO -0.02 -0.03 0.08 0.28 0.00 0.00 0.00 179.25 179.56 1gth h VAL 778 N 0.54 1.21 -0.51 0.00 2.07 -0.76 -2.03 116.25 116.77 1gth h VAL 778 Ca 0.15 -0.68 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 1gth h VAL 778 Cb -0.05 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1gth h VAL 778 CO -0.03 0.22 0.14 0.71 0.02 0.00 0.00 177.57 178.64 1gth h THR 779 N 0.28 1.24 -0.36 2.57 1.35 -1.03 -0.72 112.91 116.24 1gth h THR 779 Ca 0.09 -0.81 -0.10 0.00 -0.55 0.00 0.00 66.41 65.03 1gth h THR 779 Cb 0.27 0.79 -0.02 0.00 -1.73 0.00 0.00 68.15 67.46 1gth h THR 779 CO -0.00 0.30 -0.19 0.00 -0.25 0.00 0.00 175.52 175.38 1gth h THR 780 N 0.71 1.26 -0.30 6.82 1.03 -1.05 -0.92 112.91 120.45 1gth h THR 780 Ca 0.16 -1.25 -0.13 0.00 -0.01 0.00 0.00 66.41 65.19 1gth h THR 780 Cb 0.30 1.19 -0.00 0.00 -1.07 0.00 0.00 68.15 68.57 1gth h THR 780 CO -0.00 0.41 -0.31 0.40 -0.01 0.00 0.00 175.52 176.01 1gth h ILE 781 N 0.61 1.30 -0.39 0.00 2.04 -1.26 -2.09 117.51 117.72 1gth h ILE 781 Ca 0.09 -1.48 -0.03 0.00 1.00 0.00 0.00 64.86 64.44 1gth h ILE 781 Cb 0.66 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 1gth h ILE 781 CO 0.05 0.48 0.12 0.00 0.00 0.00 0.00 178.15 178.79 1gth h ALA 782 N 0.71 1.48 0.06 1.87 0.00 -0.87 0.96 119.26 123.48 1gth h ALA 782 Ca 0.05 -0.14 -0.25 0.00 0.00 0.00 0.00 54.91 54.57 1gth h ALA 782 Cb 0.89 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.52 1gth h ALA 782 CO 0.08 0.39 -1.09 0.00 0.00 0.00 0.00 179.25 178.63 1gth h ARG 783 N 0.55 0.40 0.04 0.00 3.08 -1.11 -3.04 114.38 114.31 1gth h ARG 783 Ca 0.13 -0.51 -0.23 0.00 0.07 0.00 0.00 59.98 59.44 1gth h ARG 783 Cb 0.18 0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 1gth h ARG 783 CO -0.01 1.19 -1.01 0.00 -1.07 0.00 0.00 179.97 179.06 1gth h ALA 784 N 0.62 0.34 -2.15 0.04 0.00 -1.11 -3.38 119.26 113.62 1gth h ALA 784 Ca -0.11 -0.78 -0.58 0.00 0.00 0.00 0.00 54.91 53.43 1gth h ALA 784 Cb 1.76 -0.04 -0.41 0.00 0.00 0.00 0.00 17.79 19.10 1gth h ALA 784 CO 0.19 0.93 -0.78 1.28 0.00 0.00 0.00 179.25 180.87 1gth n LEU 785 N -3.62 2.78 -4.66 0.00 4.77 0.31 -5.10 117.00 111.48 1gth n LEU 785 Ca -0.06 -5.27 -0.46 0.00 -0.03 0.00 0.00 56.01 50.20 1gth n LEU 785 Cb 0.89 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.74 1gth n LEU 785 CO 0.50 2.14 1.00 -0.81 -1.33 0.00 0.00 177.39 178.89 1gth n PRO 786 N 0.73 1.93 0.00 3.23 -0.04 -1.15 -1.79 135.00 137.91 1gth n PRO 786 Ca 0.28 0.69 0.00 0.00 -0.04 0.00 0.00 63.50 64.42 1gth n PRO 786 Cb 0.46 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 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 2.32 2.90 3.65 0.55 0.00 -1.26 -5.01 105.19 108.34 1gth n GLY 787 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1gth n GLY 787 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1gth s PHE 788 N -1.99 2.45 0.13 1.61 5.36 -0.74 -4.94 117.98 119.86 1gth s PHE 788 Ca 0.00 0.70 -0.35 0.00 -0.96 0.00 0.00 56.93 56.32 1gth s PHE 788 Cb 0.00 -3.78 -0.16 0.00 -0.34 0.00 0.00 43.02 38.74 1gth s PHE 788 CO 0.00 -2.46 1.31 -2.30 -1.46 0.00 0.00 175.22 170.31 1gth n PRO 789 N 7.11 1.30 -4.33 10.12 -0.02 -1.26 -4.90 135.00 143.02 1gth n PRO 789 Ca 0.16 0.47 -0.27 0.00 -2.02 0.00 0.00 63.50 61.84 1gth n PRO 789 Cb 0.45 -2.08 -0.17 0.00 -0.02 0.00 0.00 33.50 31.69 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 0.28 1.22 -0.32 4.25 1.01 -1.26 -1.72 121.20 124.65 1gth s ILE 790 Ca 0.79 -0.48 -0.11 0.00 0.00 0.00 0.00 60.65 60.86 1gth s ILE 790 Cb -0.88 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 40.43 1gth s ILE 790 CO 0.48 0.39 0.19 -0.76 0.00 0.00 0.00 174.94 175.23 1gth s LEU 791 N 1.08 4.30 0.29 2.97 1.02 0.01 -1.42 118.68 126.94 1gth s LEU 791 Ca -0.06 -0.50 -0.19 0.00 0.02 0.00 0.00 54.13 53.40 1gth s LEU 791 Cb -0.14 -2.06 -0.09 0.00 0.02 0.00 0.00 46.19 43.92 1gth s LEU 791 CO -0.02 -0.22 0.79 0.00 0.02 0.00 0.00 176.35 176.92 1gth s ALA 792 N 1.66 3.31 -0.28 4.21 0.00 -0.59 -0.93 121.76 129.14 1gth s ALA 792 Ca 0.05 0.21 -0.16 0.00 0.00 0.00 0.00 51.96 52.06 1gth s ALA 792 Cb -0.17 -2.90 0.08 0.00 0.00 0.00 0.00 23.12 20.13 1gth s ALA 792 CO 0.08 0.28 0.70 -0.08 0.00 0.00 0.00 175.76 176.74 1gth s THR 793 N -1.76 -0.00 0.00 0.00 -1.32 -0.24 0.12 115.64 112.44 1gth s THR 793 Ca 0.50 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.98 1gth s THR 793 Cb -0.14 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.85 1gth s THR 793 CO 0.19 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.21 1gth n GLY 794 N 4.30 0.80 1.71 6.08 0.00 -1.26 -0.91 105.19 115.90 1gth n GLY 794 Ca -0.20 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 0.50 3.63 -0.02 0.00 -1.20 -3.99 105.19 104.11 1gth n GLY 795 Ca 0.00 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.93 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 4.65 -0.01 -0.61 1.01 -1.26 -4.57 121.20 118.41 1gth s ILE 796 Ca 0.00 1.60 0.08 0.00 0.00 0.00 0.00 60.65 62.34 1gth s ILE 796 Cb 0.00 -4.29 0.14 0.00 0.01 0.00 0.00 42.46 38.32 1gth s ILE 796 CO 0.00 -0.33 1.06 -0.90 0.00 0.00 0.00 174.94 174.77 1gth n ASP 797 N 6.51 0.41 -3.60 3.58 5.75 -1.26 -4.50 116.55 123.43 1gth n ASP 797 Ca 0.09 -2.08 0.01 0.00 -0.01 0.00 0.00 54.79 52.80 1gth n ASP 797 Cb 0.47 -0.24 -0.01 0.00 -1.03 0.00 0.00 41.12 40.31 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 -1.40 -0.05 0.14 -1.12 1.04 -1.26 -4.94 113.70 106.11 1gth s SER 798 Ca 0.12 -0.09 -0.14 0.00 0.48 0.00 0.00 55.95 56.31 1gth s SER 798 Cb 0.13 0.12 0.02 0.00 0.10 0.00 0.00 66.02 66.38 1gth s SER 798 CO -0.05 -0.22 1.68 0.00 0.98 0.00 0.00 173.24 175.63 1gth h ALA 799 N 2.00 0.60 0.11 5.32 0.00 -1.84 -0.35 119.26 125.10 1gth h ALA 799 Ca -0.27 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.49 1gth h ALA 799 Cb 1.19 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1gth h ALA 799 CO 0.27 0.23 -0.29 1.49 0.00 0.00 0.00 179.25 180.96 1gth h GLU 800 N 0.60 -0.49 -0.24 0.00 4.81 -1.90 0.28 114.58 117.65 1gth h GLU 800 Ca 0.15 0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 1gth h GLU 800 Cb 0.24 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1gth h GLU 800 CO -0.01 -0.32 -0.11 0.66 -0.73 0.00 0.00 179.01 178.50 1gth h SER 801 N -0.51 0.37 -0.38 1.04 4.64 -1.91 -2.26 113.55 114.55 1gth h SER 801 Ca 0.03 -0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 1gth h SER 801 Cb 0.54 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 1gth h SER 801 CO -0.17 0.52 0.15 1.23 -0.87 0.00 0.00 176.83 177.68 1gth h GLY 802 N 0.85 0.61 1.48 -0.77 0.00 -0.32 -2.45 103.07 102.47 1gth h GLY 802 Ca 0.07 -0.33 0.05 0.00 0.00 0.00 0.00 47.33 47.12 1gth h GLY 802 CO 0.02 0.31 0.24 -2.00 0.00 0.00 0.00 176.54 175.12 1gth h LEU 803 N 0.46 0.24 -0.87 3.11 5.85 0.10 -0.99 115.31 123.21 1gth h LEU 803 Ca 0.12 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 1gth h LEU 803 Cb 0.20 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1gth h LEU 803 CO -0.01 0.16 0.22 1.56 -0.34 0.00 0.00 178.44 180.04 1gth h GLN 804 N 0.28 1.06 -0.06 1.25 4.20 -0.99 0.48 115.11 121.33 1gth h GLN 804 Ca 0.15 -0.21 -0.16 0.00 0.06 0.00 0.00 58.65 58.49 1gth h GLN 804 Cb 0.26 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1gth h GLN 804 CO -0.03 0.90 -0.67 0.74 -0.67 0.00 0.00 178.83 179.10 1gth h PHE 805 N 1.02 0.35 -0.11 2.96 -1.00 -1.04 -1.67 116.94 117.45 1gth h PHE 805 Ca 0.23 -0.15 -0.02 0.00 2.81 0.00 0.00 57.97 60.84 1gth h PHE 805 Cb 0.28 -0.06 -0.00 0.00 3.61 0.00 0.00 35.95 39.78 1gth h PHE 805 CO 0.02 0.85 0.00 -0.07 -1.61 0.00 0.00 178.31 177.50 1gth h LEU 806 N 0.18 0.19 -2.25 1.54 3.38 -0.95 -1.09 115.31 116.32 1gth h LEU 806 Ca -0.02 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 1gth h LEU 806 Cb 1.21 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1gth h LEU 806 CO 0.11 0.45 -0.02 0.45 0.09 0.00 0.00 178.44 179.52 1gth h HIS 807 N -0.08 0.00 -0.00 1.13 3.86 -0.86 -0.12 115.15 119.08 1gth h HIS 807 Ca 0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1gth h HIS 807 Cb 0.35 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.82 1gth h HIS 807 CO 0.03 0.02 -0.10 0.43 0.86 0.00 0.00 177.93 179.17 1gth n SER 808 N -4.07 0.44 0.00 2.45 7.64 -0.63 -1.23 113.62 118.21 1gth n SER 808 Ca -0.03 -0.54 0.00 0.00 1.01 0.00 0.00 58.87 59.31 1gth n SER 808 Cb 0.10 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 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 1.28 1.31 3.85 0.23 0.00 -0.46 -3.90 105.19 107.50 1gth n GLY 809 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.75 3.21 -0.19 4.61 0.00 -0.46 -4.47 121.76 122.71 1gth s ALA 810 Ca 0.00 0.06 0.08 0.00 0.00 0.00 0.00 51.96 52.10 1gth s ALA 810 Cb 0.00 -2.91 -0.18 0.00 0.00 0.00 0.00 23.12 20.03 1gth s ALA 810 CO 0.00 0.02 -0.07 0.43 0.00 0.00 0.00 175.76 176.14 1gth n SER 811 N -1.08 1.56 -4.33 0.00 7.64 -0.51 -4.26 113.62 112.64 1gth n SER 811 Ca 0.05 -0.06 -0.17 0.00 1.01 0.00 0.00 58.87 59.69 1gth n SER 811 Cb 0.54 0.28 -0.10 0.00 -1.01 0.00 0.00 64.21 63.92 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 -2.42 1.44 -0.16 0.44 -7.23 -1.24 -4.84 120.40 106.38 1gth s VAL 812 Ca -0.19 -2.12 0.00 0.00 -1.81 0.00 0.00 61.98 57.86 1gth s VAL 812 Cb 0.06 -2.10 0.03 0.00 0.56 0.00 0.00 36.38 34.93 1gth s VAL 812 CO 0.60 -0.55 -0.11 -0.76 -0.31 0.00 0.00 175.10 173.98 1gth s LEU 813 N -3.29 1.76 0.04 1.32 1.43 0.22 -1.54 118.68 118.61 1gth s LEU 813 Ca 0.23 -0.59 -0.16 0.00 -1.03 0.00 0.00 54.13 52.58 1gth s LEU 813 Cb 0.02 -1.10 -0.06 0.00 0.03 0.00 0.00 46.19 45.08 1gth s LEU 813 CO 0.06 -0.11 0.47 -1.10 0.23 0.00 0.00 176.35 175.90 1gth s GLN 814 N 1.52 4.00 -0.01 1.70 -0.21 0.12 -0.69 119.66 126.08 1gth s GLN 814 Ca 0.03 0.51 0.03 0.00 0.02 0.00 0.00 55.36 55.94 1gth s GLN 814 Cb -0.14 -3.19 -0.01 0.00 1.00 0.00 0.00 33.01 30.67 1gth s GLN 814 CO -0.09 0.65 -0.11 0.08 -2.12 0.00 0.00 175.29 173.70 1gth s VAL 815 N -1.14 0.89 0.00 1.09 1.01 0.39 -4.42 120.40 118.22 1gth s VAL 815 Ca 0.27 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1gth s VAL 815 Cb -0.17 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.45 1gth s VAL 815 CO 0.16 0.26 0.00 0.00 0.00 0.00 0.00 175.10 175.52 1gth h SER 817 N 0.00 0.68 -0.24 0.00 0.02 -1.96 -0.17 113.55 111.88 1gth h SER 817 Ca 0.00 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1gth h SER 817 Cb 0.00 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1gth h SER 817 CO 0.00 0.25 0.12 0.00 -1.14 0.00 0.00 176.83 176.06 1gth h ALA 818 N 1.63 1.69 0.14 3.77 0.00 -1.92 0.35 119.26 124.91 1gth h ALA 818 Ca 0.55 -0.07 -0.29 0.00 0.00 0.00 0.00 54.91 55.10 1gth h ALA 818 Cb 0.99 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.68 1gth h ALA 818 CO -0.32 0.26 -1.26 0.28 0.00 0.00 0.00 179.25 178.21 1gth h VAL 819 N 0.40 1.36 -0.13 0.00 2.07 -1.35 -2.67 116.25 115.93 1gth h VAL 819 Ca 0.10 -2.68 -0.01 0.00 0.82 0.00 0.00 66.70 64.93 1gth h VAL 819 Cb 0.07 2.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 1gth h VAL 819 CO -0.01 0.80 0.04 1.56 0.02 0.00 0.00 177.57 179.98 1gth h GLN 820 N 0.18 0.17 0.00 1.57 4.20 -0.70 0.10 115.11 120.64 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 1.94 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.68 1gth h GLN 820 CO 0.23 0.16 0.00 0.09 -0.67 0.00 0.00 178.83 178.64 1gth n ASN 821 N -4.47 0.59 0.00 1.46 3.02 0.05 -4.88 115.26 111.03 1gth n ASN 821 Ca -0.01 0.56 0.00 0.00 -0.03 0.00 0.00 54.58 55.10 1gth n ASN 821 Cb 0.12 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.57 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 -2.05 0.00 -3.92 3.52 -0.06 0.34 -4.63 117.38 110.57 1gth n GLN 822 Ca 0.06 0.00 -0.02 0.00 -2.00 0.00 0.00 57.00 55.04 1gth n GLN 822 Cb 0.40 0.00 0.02 0.00 -4.06 0.00 0.00 30.24 26.60 1gth n GLN 822 CO 0.00 0.00 0.00 0.16 -0.20 0.00 0.00 177.06 177.02 1gth s ASP 823 N 1.27 0.02 0.55 1.69 1.47 -1.09 -4.96 116.67 115.62 1gth s ASP 823 Ca 0.00 -0.61 0.27 0.00 1.18 0.00 0.00 52.55 53.39 1gth s ASP 823 Cb 0.00 0.43 1.59 0.00 -0.34 0.00 0.00 42.92 44.60 1gth s ASP 823 CO 0.00 -0.87 2.16 -0.26 0.68 0.00 0.00 175.17 176.88 1gth h PHE 824 N 2.00 0.00 0.00 2.11 0.05 -1.97 -3.07 116.94 116.06 1gth h PHE 824 Ca -0.26 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.53 1gth h PHE 824 Cb 1.21 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.16 1gth h PHE 824 CO 1.47 0.06 0.00 0.25 -0.18 0.00 0.00 178.31 179.91 1gth n THR 825 N -3.85 1.48 0.31 -1.55 -2.24 -1.26 -2.43 114.28 104.74 1gth n THR 825 Ca -0.03 0.45 0.21 0.00 -2.27 0.00 0.00 64.05 62.41 1gth n THR 825 Cb 0.15 -1.38 1.11 0.00 -2.10 0.00 0.00 70.33 68.11 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 -0.65 2.28 -1.51 -1.95 -1.31 116.25 113.10 1gth h VAL 826 Ca 0.00 0.00 0.02 0.00 -1.23 0.00 0.00 66.70 65.49 1gth h VAL 826 Cb 0.10 0.90 -0.04 0.00 -2.13 0.00 0.00 31.29 30.12 1gth h VAL 826 CO 0.00 0.00 0.43 -0.29 -1.23 0.00 0.00 177.57 176.48 1gth h ILE 827 N 0.00 1.11 -0.81 7.19 6.09 -1.77 -0.21 117.51 129.10 1gth h ILE 827 Ca 0.00 -0.28 -0.01 0.00 -1.37 0.00 0.00 64.86 63.21 1gth h ILE 827 Cb 0.01 0.23 -0.04 0.00 0.47 0.00 0.00 36.82 37.49 1gth h ILE 827 CO 0.00 0.15 0.48 -0.61 -3.07 0.00 0.00 178.15 175.10 1gth h GLN 828 N 0.81 1.11 -0.30 2.19 -0.00 -1.50 -0.80 115.11 116.62 1gth h GLN 828 Ca 0.25 -0.11 -0.07 0.00 -0.00 0.00 0.00 58.65 58.73 1gth h GLN 828 Cb 0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 27.48 27.26 1gth h GLN 828 CO -0.07 0.79 -0.08 0.22 0.00 0.00 0.00 178.83 179.70 1gth h ASP 829 N 1.12 0.58 -0.54 -0.69 3.58 -1.28 -2.37 116.42 116.81 1gth h ASP 829 Ca 0.29 -0.37 -0.01 0.00 0.42 0.00 0.00 57.03 57.36 1gth h ASP 829 Cb -0.03 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 40.84 1gth h ASP 829 CO -0.05 0.81 0.28 1.88 -2.88 0.00 0.00 179.24 179.28 1gth h TYR 830 N 0.34 0.75 -0.03 0.28 0.99 -0.81 -0.54 116.97 117.96 1gth h TYR 830 Ca 0.07 -0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.77 1gth h TYR 830 Cb 0.56 -0.24 -0.00 0.00 1.00 0.00 0.00 36.73 38.05 1gth h TYR 830 CO 0.05 0.57 -0.01 0.00 -0.00 0.00 0.00 178.16 178.77 1gth h THR 832 N -0.32 1.20 -0.37 0.00 1.35 -1.44 -1.66 112.91 111.67 1gth h THR 832 Ca 0.01 -0.88 -0.11 0.00 -0.55 0.00 0.00 66.41 64.88 1gth h THR 832 Cb 0.40 1.14 -0.01 0.00 -1.73 0.00 0.00 68.15 67.96 1gth h THR 832 CO 0.00 0.29 -0.19 1.23 -0.25 0.00 0.00 175.52 176.60 1gth h GLY 833 N 0.84 0.84 1.25 5.82 0.00 -1.00 -1.74 103.07 109.09 1gth h GLY 833 Ca 0.07 -0.76 -0.14 0.00 0.00 0.00 0.00 47.33 46.50 1gth h GLY 833 CO 0.02 0.69 -0.32 -2.00 0.00 0.00 0.00 176.54 174.94 1gth h LEU 834 N 0.57 0.87 -0.74 3.11 5.85 -0.89 -1.83 115.31 122.24 1gth h LEU 834 Ca 0.08 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 1gth h LEU 834 Cb 0.73 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 1gth h LEU 834 CO 0.06 1.12 0.44 0.11 -0.34 0.00 0.00 178.44 179.82 1gth h LYS 835 N 0.70 1.02 -0.39 1.25 1.57 -1.26 -1.89 116.57 117.57 1gth h LYS 835 Ca 0.08 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 1gth h LYS 835 Cb 0.87 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1gth h LYS 835 CO 0.08 0.73 0.02 0.00 -0.57 0.00 0.00 179.45 179.71 1gth h ALA 836 N 1.23 0.53 -0.71 3.86 0.00 -1.12 -0.44 119.26 122.61 1gth h ALA 836 Ca 0.27 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1gth h ALA 836 Cb -0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1gth h ALA 836 CO -0.05 0.28 0.33 -0.07 0.00 0.00 0.00 179.25 179.75 1gth h LEU 837 N 0.51 0.92 -0.19 0.00 3.38 -1.08 -0.30 115.31 118.55 1gth h LEU 837 Ca 0.11 -0.10 -0.21 0.00 0.09 0.00 0.00 57.88 57.77 1gth h LEU 837 Cb 0.44 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.96 1gth h LEU 837 CO 0.02 0.78 -0.69 -0.07 0.09 0.00 0.00 178.44 178.57 1gth h LEU 838 N 1.01 0.93 -0.21 1.67 3.38 -1.22 -3.19 115.31 117.68 1gth h LEU 838 Ca 0.24 -0.60 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 1gth h LEU 838 Cb 0.12 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1gth h LEU 838 CO -0.03 1.38 0.12 0.22 0.09 0.00 0.00 178.44 180.22 1gth h TYR 839 N 0.54 0.28 -0.01 1.13 3.20 -0.75 -2.77 116.97 118.58 1gth h TYR 839 Ca -0.03 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1gth h TYR 839 Cb 1.32 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 39.50 1gth h TYR 839 CO 0.09 0.23 0.02 -0.07 -1.64 0.00 0.00 178.16 176.79 1gth h LEU 840 N 0.24 0.00 -0.16 2.82 3.38 -1.10 -1.57 115.31 118.92 1gth h LEU 840 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1gth h LEU 840 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1gth h LEU 840 CO -0.01 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.81 1gth n LYS 841 N -3.64 0.04 0.00 1.13 5.02 -1.04 -2.07 118.16 117.60 1gth n LYS 841 Ca -0.03 0.30 0.10 0.00 -2.02 0.00 0.00 58.31 56.66 1gth n LYS 841 Cb 0.10 -1.58 0.02 0.00 -0.02 0.00 0.00 35.03 33.55 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 -1.66 2.06 -4.44 4.39 3.41 -0.59 -4.86 113.62 111.93 1gth n SER 842 Ca 0.03 -1.53 -0.44 0.00 -0.26 0.00 0.00 58.87 56.67 1gth n SER 842 Cb 0.17 0.37 -0.07 0.00 -0.26 0.00 0.00 64.21 64.42 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 -2.11 4.95 0.30 -1.33 -1.09 -0.88 -1.52 121.20 119.52 1gth s ILE 843 Ca 0.18 -0.54 -0.00 0.00 -2.23 0.00 0.00 60.65 58.06 1gth s ILE 843 Cb 0.16 -4.25 0.27 0.00 -1.58 0.00 0.00 42.46 37.07 1gth s ILE 843 CO 0.44 -0.73 1.95 -0.08 -1.23 0.00 0.00 174.94 175.29 1gth h GLU 844 N 8.93 1.03 0.00 2.79 4.81 -1.86 -2.71 114.58 127.58 1gth h GLU 844 Ca -0.27 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1gth h GLU 844 Cb 1.10 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.25 1gth h GLU 844 CO 0.93 0.68 0.00 -0.85 -0.73 0.00 0.00 179.01 179.05 1gth n GLU 845 N -4.44 0.47 -0.55 1.92 0.00 -1.26 -3.26 120.64 113.51 1gth n GLU 845 Ca 0.11 0.04 0.04 0.00 0.00 0.00 0.00 57.16 57.35 1gth n GLU 845 Cb 0.11 -1.50 0.20 0.00 0.00 0.00 0.00 31.44 30.25 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 -1.20 3.16 0.17 -1.84 4.77 -1.02 -4.69 117.00 116.35 1gth n LEU 846 Ca 0.13 -3.65 0.13 0.00 -0.03 0.00 0.00 56.01 52.60 1gth n LEU 846 Cb 0.15 -0.54 0.49 0.00 -2.33 0.00 0.00 43.42 41.19 1gth n LEU 846 CO 0.17 1.18 0.89 1.56 -1.33 0.00 0.00 177.39 179.86 1gth h GLN 847 N 0.88 0.00 0.00 3.23 4.20 -1.66 -2.60 115.11 119.16 1gth h GLN 847 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1gth h GLN 847 Cb 1.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.01 1gth h GLN 847 CO 0.13 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.70 1gth n GLY 848 N 0.38 -1.34 3.85 3.46 0.00 -1.26 -4.83 105.19 105.44 1gth n GLY 848 Ca 0.03 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 3.39 -0.63 1.61 0.52 -0.98 -4.19 118.94 115.91 1gth s TRP 849 Ca 0.22 1.31 -0.10 0.00 0.02 0.00 0.00 56.10 57.55 1gth s TRP 849 Cb 0.19 -2.63 0.16 0.00 -1.15 0.00 0.00 33.47 30.04 1gth s TRP 849 CO 0.48 -0.08 0.52 0.34 0.02 0.00 0.00 176.95 178.23 1gth s ASP 850 N -2.59 5.99 1.63 2.95 2.15 0.06 -4.94 116.67 121.92 1gth s ASP 850 Ca 0.56 -2.39 0.00 0.00 0.43 0.00 0.00 52.55 51.15 1gth s ASP 850 Cb -0.10 -2.06 0.00 0.00 -0.30 0.00 0.00 42.92 40.46 1gth s ASP 850 CO 0.22 -0.59 0.00 0.61 -0.17 0.00 0.00 175.17 175.24 1gth n GLY 851 N 4.28 2.60 0.49 2.66 0.00 -1.26 -1.63 105.19 112.34 1gth n GLY 851 Ca 0.02 -0.28 0.09 0.00 0.00 0.00 0.00 46.02 45.86 1gth n GLY 851 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1gth n GLN 852 N 13.26 1.63 -3.38 1.61 6.02 -1.26 -4.82 117.38 130.44 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 -1.34 -0.09 0.00 1.02 0.00 0.00 30.24 29.83 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 -1.43 6.28 0.78 1.08 0.01 -0.64 -4.87 113.70 114.90 1gth s SER 853 Ca 0.29 0.33 -0.12 0.00 1.31 0.00 0.00 55.95 57.76 1gth s SER 853 Cb 0.15 -2.22 0.06 0.00 0.21 0.00 0.00 66.02 64.23 1gth s SER 853 CO 0.23 -0.17 1.13 -2.84 0.41 0.00 0.00 173.24 171.99 1gth s PRO 854 N 1.98 2.05 0.31 12.44 0.02 -1.26 -0.76 135.00 149.77 1gth s PRO 854 Ca 0.16 1.41 -0.29 0.00 0.02 0.00 0.00 61.00 62.29 1gth s PRO 854 Cb -0.16 -1.86 -0.11 0.00 0.02 0.00 0.00 34.50 32.40 1gth s PRO 854 CO 0.10 -1.83 1.47 0.20 -0.33 0.00 0.00 177.00 176.60 1gth s GLY 855 N -2.82 2.54 0.00 0.52 0.00 -1.26 -4.74 107.32 101.56 1gth s GLY 855 Ca 0.66 1.44 -0.30 0.00 0.00 0.00 0.00 44.72 46.52 1gth s GLY 855 CO 0.52 2.28 1.49 -1.59 0.00 0.00 0.00 173.10 175.80 1gth s THR 856 N -0.47 3.56 0.09 0.90 2.01 -1.26 -5.02 115.64 115.45 1gth s THR 856 Ca 0.57 0.92 -0.05 0.00 0.31 0.00 0.00 61.69 63.43 1gth s THR 856 Cb -0.44 -3.59 -0.05 0.00 0.01 0.00 0.00 72.50 68.43 1gth s THR 856 CO 0.51 -0.02 0.33 -1.61 -0.69 0.00 0.00 174.62 173.14 1gth s GLU 857 N 2.72 3.60 0.11 4.92 0.41 -1.26 -5.03 118.70 124.17 1gth s GLU 857 Ca 0.67 -0.10 -0.35 0.00 -0.41 0.00 0.00 54.97 54.77 1gth s GLU 857 Cb -0.33 -2.95 -0.15 0.00 -1.78 0.00 0.00 34.13 28.92 1gth s GLU 857 CO 0.28 0.55 1.50 0.43 -0.49 0.00 0.00 175.26 177.53 1gth n SER 858 N 0.48 2.51 -3.62 -0.19 7.64 -1.26 -4.93 113.62 114.25 1gth n SER 858 Ca -0.06 1.09 -0.09 0.00 1.01 0.00 0.00 58.87 60.82 1gth n SER 858 Cb 0.52 -1.32 -0.03 0.00 -1.01 0.00 0.00 64.21 62.37 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 0.97 0.30 -0.11 1.43 -3.43 -1.26 -1.69 115.29 111.50 1gth s HIS 859 Ca 0.82 -0.73 -0.04 0.00 -0.80 0.00 0.00 55.06 54.31 1gth s HIS 859 Cb -0.80 0.40 0.06 0.00 -1.43 0.00 0.00 32.58 30.80 1gth s HIS 859 CO 0.43 -1.19 0.23 -0.65 -2.00 0.00 0.00 174.74 171.55 1gth s GLN 860 N -3.48 0.11 -1.61 -0.38 -1.52 -0.90 -4.29 119.66 107.58 1gth s GLN 860 Ca 0.20 0.68 -0.04 0.00 -1.95 0.00 0.00 55.36 54.25 1gth s GLN 860 Cb -0.03 -0.12 0.00 0.00 -0.22 0.00 0.00 33.01 32.65 1gth s GLN 860 CO 0.11 -0.29 0.50 1.63 -0.25 0.00 0.00 175.29 176.98 1gth n LYS 861 N 5.34 -4.32 -0.53 2.91 5.02 -1.26 -1.63 118.16 123.68 1gth n LYS 861 Ca -0.06 0.93 0.00 0.00 -2.02 0.00 0.00 58.31 57.17 1gth n LYS 861 Cb 0.50 -5.77 0.00 0.00 -0.02 0.00 0.00 35.03 29.74 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 -1.44 1.52 3.65 0.72 0.00 -1.26 -4.55 105.19 103.83 1gth n GLY 862 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.10 4.07 0.13 1.61 1.02 -0.64 -4.42 119.74 121.41 1gth s LYS 863 Ca 0.00 -0.18 -0.35 0.00 0.02 0.00 0.00 55.97 55.46 1gth s LYS 863 Cb 0.00 -3.56 -0.17 0.00 -0.52 0.00 0.00 37.83 33.59 1gth s LYS 863 CO 0.00 0.01 1.19 -2.30 -0.92 0.00 0.00 175.35 173.32 1gth n PRO 864 N 4.44 1.00 -2.48 -1.68 -0.02 -1.26 -2.13 135.00 132.87 1gth n PRO 864 Ca -0.13 0.36 -0.41 0.00 -2.02 0.00 0.00 63.50 61.30 1gth n PRO 864 Cb 0.52 -1.88 -0.04 0.00 -0.02 0.00 0.00 33.50 32.07 1gth n PRO 864 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1gth s VAL 865 N 0.02 3.60 0.28 -1.45 1.01 -0.68 -4.87 120.40 118.32 1gth s VAL 865 Ca 0.78 1.51 -0.30 0.00 0.00 0.00 0.00 61.98 63.98 1gth s VAL 865 Cb -0.93 -3.96 -0.11 0.00 0.00 0.00 0.00 36.38 31.38 1gth s VAL 865 CO 0.51 0.32 1.52 -2.84 0.00 0.00 0.00 175.10 174.62 1gth s PRO 866 N -1.01 4.18 -0.96 2.72 0.02 -1.26 -4.92 135.00 133.77 1gth s PRO 866 Ca 0.47 2.47 -0.03 0.00 0.02 0.00 0.00 61.00 63.93 1gth s PRO 866 Cb -0.31 -3.05 0.21 0.00 0.02 0.00 0.00 34.50 31.36 1gth s PRO 866 CO 0.39 -0.54 2.24 0.54 -0.33 0.00 0.00 177.00 179.30 1gth n ARG 867 N 2.06 4.03 -3.18 5.54 1.74 -1.26 -4.92 116.66 120.68 1gth n ARG 867 Ca 0.07 -3.58 -0.39 0.00 -0.77 0.00 0.00 57.85 53.18 1gth n ARG 867 Cb 0.39 -2.41 -0.05 0.00 -1.02 0.00 0.00 32.46 29.36 1gth n ARG 867 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1gth s ILE 868 N -3.04 5.00 0.24 0.55 1.01 -1.26 -4.97 121.20 118.74 1gth s ILE 868 Ca 0.50 1.25 -0.05 0.00 0.00 0.00 0.00 60.65 62.35 1gth s ILE 868 Cb 0.28 -3.94 0.20 0.00 0.01 0.00 0.00 42.46 39.00 1gth s ILE 868 CO -0.19 0.35 1.82 0.00 0.00 0.00 0.00 174.94 176.91 1gth h ALA 869 N 6.18 1.12 0.00 9.38 0.00 -1.95 -1.24 119.26 132.74 1gth h ALA 869 Ca -0.43 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1gth h ALA 869 Cb 1.20 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1gth h ALA 869 CO 0.72 0.12 0.00 0.39 0.00 0.00 0.00 179.25 180.48 1gth n GLU 870 N -4.73 0.50 -0.01 0.00 1.02 -1.26 -2.90 120.64 113.25 1gth n GLU 870 Ca 0.12 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.25 1gth n GLU 870 Cb 0.24 -1.16 -0.01 0.00 -0.02 0.00 0.00 31.44 30.48 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 -0.66 1.64 -4.72 -4.62 4.77 -0.49 -4.94 117.00 107.97 1gth n LEU 871 Ca 0.04 -0.01 -0.42 0.00 -0.03 0.00 0.00 56.01 55.59 1gth n LEU 871 Cb 0.02 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 1gth n LEU 871 CO 0.03 0.32 1.29 -0.04 -1.33 0.00 0.00 177.39 177.66 1gth s MET 872 N -2.05 4.17 -1.26 3.23 -1.94 -1.07 -2.88 119.30 117.50 1gth s MET 872 Ca -0.02 2.47 -0.07 0.00 -1.71 0.00 0.00 55.69 56.36 1gth s MET 872 Cb 0.01 -3.11 0.01 0.00 2.01 0.00 0.00 34.83 33.74 1gth s MET 872 CO 0.07 -0.67 0.88 0.41 -0.01 0.00 0.00 175.02 175.71 1gth n GLY 873 N 3.78 -0.38 0.36 -0.03 0.00 -1.26 -4.91 105.19 102.75 1gth n GLY 873 Ca 0.14 0.11 0.06 0.00 0.00 0.00 0.00 46.02 46.33 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 -4.22 1.31 -3.57 1.61 4.76 -1.14 -5.01 118.16 111.91 1gth n LYS 874 Ca -0.03 -0.92 -0.20 0.00 -2.87 0.00 0.00 58.31 54.29 1gth n LYS 874 Cb 0.57 -1.17 0.06 0.00 -1.84 0.00 0.00 35.03 32.65 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 -4.92 -3.75 1.97 4.76 -1.26 -4.96 118.16 110.23 1gth n LYS 875 Ca 0.06 0.71 -0.36 0.00 -2.87 0.00 0.00 58.31 55.85 1gth n LYS 875 Cb 0.26 -5.39 -0.10 0.00 -1.84 0.00 0.00 35.03 27.96 1gth n LYS 875 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1gth s LEU 876 N -6.43 5.14 1.02 -0.35 1.43 -1.26 -5.02 118.68 113.22 1gth s LEU 876 Ca 0.08 -2.86 -0.12 0.00 -1.03 0.00 0.00 54.13 50.20 1gth s LEU 876 Cb -0.02 -1.83 0.20 0.00 0.03 0.00 0.00 46.19 44.58 1gth s LEU 876 CO 0.78 -0.36 1.07 -2.16 0.23 0.00 0.00 176.35 175.92 1gth s PRO 877 N -0.07 0.21 -0.76 1.29 0.04 -1.26 -4.90 135.00 129.54 1gth s PRO 877 Ca 0.17 0.82 -0.05 0.00 0.04 0.00 0.00 61.00 61.98 1gth s PRO 877 Cb -0.21 -1.69 0.05 0.00 0.04 0.00 0.00 34.50 32.69 1gth s PRO 877 CO -0.03 -2.96 2.72 0.09 0.04 0.00 0.00 177.00 176.87 1gth n ASN 878 N -4.38 7.01 -3.65 6.66 3.02 -1.26 -3.55 115.26 119.11 1gth n ASN 878 Ca 0.06 -3.10 -0.09 0.00 -0.03 0.00 0.00 54.58 51.42 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 -1.13 -0.34 0.00 3.10 -0.12 -1.26 -4.85 117.98 113.38 1gth s PHE 879 Ca 0.58 0.01 0.00 0.00 -0.05 0.00 0.00 56.93 57.47 1gth s PHE 879 Cb 0.30 0.64 0.00 0.00 -0.63 0.00 0.00 43.02 43.33 1gth s PHE 879 CO -0.15 -1.03 0.00 0.41 -0.05 0.00 0.00 175.22 174.39 1gth n GLY 880 N -0.42 1.40 0.29 1.99 0.00 0.16 -1.69 105.19 106.91 1gth n GLY 880 Ca -0.10 -0.50 0.15 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.58 1.61 0.13 -1.76 -2.08 132.00 129.33 1gth h PRO 881 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.02 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 0.05 -0.06 1.88 -0.23 0.00 0.00 178.00 179.64 1gth h TYR 882 N 0.00 1.17 -0.71 1.56 -1.99 -1.74 -1.98 116.97 113.28 1gth h TYR 882 Ca -0.00 -0.23 -0.04 0.00 2.00 0.00 0.00 58.73 60.47 1gth h TYR 882 Cb 0.16 -0.30 -0.03 0.00 2.00 0.00 0.00 36.73 38.56 1gth h TYR 882 CO 0.00 1.06 0.30 1.25 -0.00 0.00 0.00 178.16 180.77 1gth h LEU 883 N 0.95 0.97 -0.76 3.88 5.85 -0.60 -1.17 115.31 124.43 1gth h LEU 883 Ca 0.16 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1gth h LEU 883 Cb 0.63 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 1gth h LEU 883 CO 0.04 0.86 0.47 -0.33 -0.34 0.00 0.00 178.44 179.14 1gth h GLU 884 N 1.01 0.88 -0.49 1.25 5.08 -1.33 -1.66 114.58 119.33 1gth h GLU 884 Ca 0.24 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.49 1gth h GLU 884 Cb 0.18 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1gth h GLU 884 CO -0.02 0.58 0.08 1.96 -1.00 0.00 0.00 179.01 180.61 1gth h GLN 885 N 0.90 0.80 -0.34 2.33 4.20 -0.82 -2.05 115.11 120.14 1gth h GLN 885 Ca 0.31 -0.21 0.03 0.00 0.06 0.00 0.00 58.65 58.83 1gth h GLN 885 Cb 0.07 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 1gth h GLN 885 CO -0.13 0.81 0.17 0.00 -0.67 0.00 0.00 178.83 179.00 1gth h ARG 886 N 0.68 0.33 -0.76 1.46 3.08 -0.69 -0.98 114.38 117.49 1gth h ARG 886 Ca 0.15 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 1gth h ARG 886 Cb 0.39 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 1gth h ARG 886 CO 0.01 0.22 0.47 0.87 -1.07 0.00 0.00 179.97 180.47 1gth h LYS 887 N 0.34 1.03 -0.57 0.04 1.57 -1.21 0.73 116.57 118.50 1gth h LYS 887 Ca 0.14 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1gth h LYS 887 Cb 0.06 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 1gth h LYS 887 CO -0.10 0.72 0.35 -0.22 -0.57 0.00 0.00 179.45 179.62 1gth h LYS 888 N 1.04 0.77 -0.60 3.15 3.64 -0.99 0.57 116.57 124.14 1gth h LYS 888 Ca 0.27 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.50 1gth h LYS 888 Cb -0.06 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.58 1gth h LYS 888 CO -0.05 0.54 0.02 0.82 -2.27 0.00 0.00 179.45 178.50 1gth h ILE 889 N 0.77 1.27 -0.40 2.00 2.04 -0.62 -2.00 117.51 120.57 1gth h ILE 889 Ca 0.21 -1.13 -0.05 0.00 1.00 0.00 0.00 64.86 64.88 1gth h ILE 889 Cb -0.03 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1gth h ILE 889 CO -0.04 0.41 0.05 0.40 0.00 0.00 0.00 178.15 178.97 1gth h ILE 890 N 0.95 1.25 -0.66 -0.67 2.04 -0.45 -1.74 117.51 118.23 1gth h ILE 890 Ca 0.17 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 1gth h ILE 890 Cb 0.54 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 1gth h ILE 890 CO 0.03 0.31 0.39 0.00 0.00 0.00 0.00 178.15 178.87 1gth h ALA 891 N 0.91 0.84 -0.80 1.87 0.00 -0.80 -1.50 119.26 119.78 1gth h ALA 891 Ca 0.12 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1gth h ALA 891 Cb 0.39 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1gth h ALA 891 CO 0.01 0.32 0.49 0.93 0.00 0.00 0.00 179.25 181.00 1gth h GLU 892 N 0.89 1.08 -0.61 0.00 5.08 -1.20 -1.82 114.58 117.99 1gth h GLU 892 Ca 0.23 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1gth h GLU 892 Cb -0.02 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 28.98 1gth h GLU 892 CO -0.04 0.75 0.24 1.49 -1.00 0.00 0.00 179.01 180.45 1gth h GLU 893 N 1.09 0.89 -0.57 2.33 4.57 -0.76 -0.46 114.58 121.68 1gth h GLU 893 Ca 0.29 -0.14 -0.06 0.00 -1.18 0.00 0.00 59.36 58.26 1gth h GLU 893 Cb -0.06 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.35 1gth h GLU 893 CO -0.06 0.73 0.11 0.87 -1.18 0.00 0.00 179.01 179.48 1gth h LYS 894 N 0.88 0.93 -0.45 1.92 1.79 -0.61 -0.60 116.57 120.43 1gth h LYS 894 Ca 0.21 -0.24 -0.09 0.00 -2.18 0.00 0.00 60.65 58.35 1gth h LYS 894 Cb 0.17 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 1gth h LYS 894 CO -0.02 0.88 -0.07 0.52 -1.08 0.00 0.00 179.45 179.68 1gth h MET 895 N 0.83 0.78 -0.42 3.15 2.86 -0.91 -1.67 114.93 119.55 1gth h MET 895 Ca 0.17 -0.24 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 1gth h MET 895 Cb 0.39 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 1gth h MET 895 CO 0.01 0.84 0.06 -0.09 1.06 0.00 0.00 176.91 178.78 1gth h ARG 896 N 0.72 0.71 0.00 1.72 2.43 -0.76 -2.40 114.38 116.80 1gth h ARG 896 Ca 0.13 -0.19 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 1gth h ARG 896 Cb 0.54 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1gth h ARG 896 CO 0.03 0.75 -0.21 -0.07 -1.51 0.00 0.00 179.97 178.96 1gth h LEU 897 N 0.56 0.00 -0.44 3.80 3.38 -0.88 -2.66 115.31 119.06 1gth h LEU 897 Ca 0.13 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.93 1gth h LEU 897 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1gth h LEU 897 CO 0.01 0.21 -0.47 0.50 0.09 0.00 0.00 178.44 178.78 1gth h LYS 898 N 0.00 0.77 0.00 1.13 3.64 -0.83 -3.02 116.57 118.26 1gth h LYS 898 Ca -0.00 -0.44 -0.02 0.00 -1.27 0.00 0.00 60.65 58.91 1gth h LYS 898 Cb 0.45 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1gth h LYS 898 CO 0.03 1.07 -0.11 0.93 -2.27 0.00 0.00 179.45 179.10 1gth h GLU 899 N 0.61 0.00 -0.05 1.90 5.08 -1.08 -2.99 114.58 118.06 1gth h GLU 899 Ca 0.03 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.25 1gth h GLU 899 Cb 1.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1gth h GLU 899 CO 0.10 0.11 -0.63 1.96 -1.00 0.00 0.00 179.01 179.55 1gth h GLN 900 N 0.00 0.18 -4.21 2.33 4.20 -1.51 -3.46 115.11 112.64 1gth h GLN 900 Ca -0.00 -0.13 -0.09 0.00 0.06 0.00 0.00 58.65 58.49 1gth h GLN 900 Cb 0.31 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1gth h GLN 900 CO 0.01 0.75 -0.12 0.09 -0.67 0.00 0.00 178.83 178.90 1gth n ASN 901 N -3.84 -2.01 -4.56 1.46 3.02 -1.13 -4.78 115.26 103.42 1gth n ASN 901 Ca -0.02 0.35 -0.31 0.00 -0.03 0.00 0.00 54.58 54.57 1gth n ASN 901 Cb 0.63 -1.84 -0.04 0.00 -0.61 0.00 0.00 39.78 37.92 1gth n ASN 901 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gth s ALA 902 N -2.13 1.95 -0.23 5.41 0.00 -1.26 -4.88 121.76 120.61 1gth s ALA 902 Ca 0.00 -1.59 -0.21 0.00 0.00 0.00 0.00 51.96 50.16 1gth s ALA 902 Cb 0.00 -4.52 -0.09 0.00 0.00 0.00 0.00 23.12 18.51 1gth s ALA 902 CO 0.00 -4.45 0.84 0.00 0.00 0.00 0.00 175.76 172.15 1gth n ALA 903 N 12.69 -0.36 -1.51 0.00 0.00 -1.26 -4.70 120.51 125.37 1gth n ALA 903 Ca 0.36 0.18 -0.49 0.00 0.00 0.00 0.00 53.44 53.49 1gth n ALA 903 Cb 0.48 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 18.97 1gth n ALA 903 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1gth n PHE 904 N 2.49 0.59 -1.36 0.00 3.01 -1.26 -4.92 117.46 116.02 1gth n PHE 904 Ca 0.19 0.83 -0.35 0.00 1.01 0.00 0.00 57.45 59.13 1gth n PHE 904 Cb -0.02 -2.14 0.10 0.00 -0.01 0.00 0.00 39.48 37.41 1gth n PHE 904 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1gth n PRO 905 N 1.19 0.55 0.00 -1.08 -0.02 -1.26 -4.81 135.00 129.57 1gth n PRO 905 Ca 0.15 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1gth n PRO 905 Cb 0.25 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 1gth n PRO 905 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1gth n PRO 906 N -2.55 0.92 -3.17 0.52 -0.02 -1.26 -4.62 135.00 124.82 1gth n PRO 906 Ca 0.14 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.65 1gth n PRO 906 Cb 0.49 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.97 1gth n PRO 906 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1gth s LEU 907 N 0.00 -1.55 -0.34 2.45 2.96 -1.26 -4.92 118.68 116.02 1gth s LEU 907 Ca 0.00 0.11 -0.01 0.00 -0.22 0.00 0.00 54.13 54.01 1gth s LEU 907 Cb 0.00 1.94 0.08 0.00 0.50 0.00 0.00 46.19 48.71 1gth s LEU 907 CO 0.00 -0.30 0.08 -1.61 -1.32 0.00 0.00 176.35 173.19 1gth s GLU 908 N 2.78 2.12 -0.16 1.98 2.02 -1.26 -5.07 118.70 121.11 1gth s GLU 908 Ca 0.10 -1.56 -0.25 0.00 0.02 0.00 0.00 54.97 53.28 1gth s GLU 908 Cb -0.10 -3.32 -0.02 0.00 0.10 0.00 0.00 34.13 30.79 1gth s GLU 908 CO -0.26 -0.83 0.80 0.50 0.02 0.00 0.00 175.26 175.49 1gth s ARG 909 N 1.15 4.30 -0.02 1.61 3.52 -1.26 -5.05 118.95 123.21 1gth s ARG 909 Ca 0.02 0.96 0.04 0.00 -0.13 0.00 0.00 55.73 56.62 1gth s ARG 909 Cb -0.21 -3.56 -0.01 0.00 -1.56 0.00 0.00 34.95 29.61 1gth s ARG 909 CO -0.03 -0.29 -0.13 0.15 -0.81 0.00 0.00 175.30 174.19 1gth s LYS 910 N 2.01 1.19 0.36 5.12 1.02 -1.26 -5.14 119.74 123.04 1gth s LYS 910 Ca 0.37 -0.48 -0.26 0.00 0.02 0.00 0.00 55.97 55.62 1gth s LYS 910 Cb -0.17 -1.12 -0.09 0.00 -0.52 0.00 0.00 37.83 35.94 1gth s LYS 910 CO 0.13 0.26 1.14 -2.14 -0.92 0.00 0.00 175.35 173.81 1gth s PRO 911 N -0.18 4.26 0.25 -1.68 0.02 -1.26 -4.93 135.00 131.47 1gth s PRO 911 Ca 0.03 1.80 -0.26 0.00 0.02 0.00 0.00 61.00 62.58 1gth s PRO 911 Cb -0.07 -2.82 -0.09 0.00 0.02 0.00 0.00 34.50 31.54 1gth s PRO 911 CO 0.00 -0.13 0.88 -0.06 -0.33 0.00 0.00 177.00 177.36 1gth s PHE 912 N -1.37 3.83 -0.10 6.54 2.99 -0.62 -5.05 117.98 124.20 1gth s PHE 912 Ca 0.53 1.75 0.02 0.00 0.00 0.00 0.00 56.93 59.23 1gth s PHE 912 Cb -0.30 -2.87 -0.02 0.00 0.00 0.00 0.00 43.02 39.83 1gth s PHE 912 CO 0.38 0.37 -0.15 0.42 -0.00 0.00 0.00 175.22 176.24 1gth s ILE 913 N -1.37 2.92 -0.10 0.64 1.01 -1.26 -4.89 121.20 118.15 1gth s ILE 913 Ca 0.43 -0.74 -0.34 0.00 0.00 0.00 0.00 60.65 60.01 1gth s ILE 913 Cb -0.22 -2.18 -0.11 0.00 0.01 0.00 0.00 42.46 39.96 1gth s ILE 913 CO 0.27 0.55 1.91 -2.65 0.00 0.00 0.00 174.94 175.02 1gth n PRO 914 N 3.08 2.16 -0.83 2.79 -0.02 -1.26 -4.73 135.00 136.19 1gth n PRO 914 Ca -0.18 0.78 0.07 0.00 -2.02 0.00 0.00 63.50 62.15 1gth n PRO 914 Cb 0.52 -2.68 0.38 0.00 -0.02 0.00 0.00 33.50 31.71 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 6.86 4.61 -3.53 -0.52 5.02 -0.58 -4.92 118.16 125.10 1gth n LYS 915 Ca 0.24 -2.98 -0.08 0.00 -2.02 0.00 0.00 58.31 53.46 1gth n LYS 915 Cb 0.30 -2.20 -0.03 0.00 -0.02 0.00 0.00 35.03 33.09 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 -2.58 0.69 0.40 1.97 -2.85 -1.26 -5.05 119.74 111.06 1gth s LYS 916 Ca 0.52 -0.17 -0.27 0.00 -1.00 0.00 0.00 55.97 55.05 1gth s LYS 916 Cb 0.39 0.32 -0.10 0.00 -2.06 0.00 0.00 37.83 36.37 1gth s LYS 916 CO 0.16 -0.28 1.39 -0.35 0.10 0.00 0.00 175.35 176.37 1gth n PRO 917 N -0.01 2.31 -2.37 1.78 -0.04 -1.26 -4.78 135.00 130.63 1gth n PRO 917 Ca -0.08 0.82 -0.42 0.00 -0.04 0.00 0.00 63.50 63.78 1gth n PRO 917 Cb 0.60 -2.54 -0.03 0.00 -0.04 0.00 0.00 33.50 31.50 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 4.10 0.50 0.52 -1.09 -1.26 -4.80 121.20 118.02 1gth s ILE 918 Ca 0.57 1.42 -0.23 0.00 -2.23 0.00 0.00 60.65 60.19 1gth s ILE 918 Cb -0.49 -3.91 -0.06 0.00 -1.58 0.00 0.00 42.46 36.42 1gth s ILE 918 CO 0.61 -0.04 1.27 -2.16 -1.23 0.00 0.00 174.94 173.39 1gth s PRO 919 N 2.65 3.46 0.41 2.79 0.04 -1.26 -5.03 135.00 138.06 1gth s PRO 919 Ca 0.58 2.03 0.03 0.00 0.04 0.00 0.00 61.00 63.68 1gth s PRO 919 Cb -0.26 -2.35 -0.01 0.00 0.04 0.00 0.00 34.50 31.92 1gth s PRO 919 CO 0.22 -0.87 0.60 0.00 0.04 0.00 0.00 177.00 176.98 1gth s ALA 920 N -1.40 3.92 0.26 8.56 0.00 -1.26 -4.92 121.76 126.91 1gth s ALA 920 Ca 0.67 -1.20 -0.02 0.00 0.00 0.00 0.00 51.96 51.41 1gth s ALA 920 Cb -0.35 -1.98 0.53 0.00 0.00 0.00 0.00 23.12 21.32 1gth s ALA 920 CO 0.42 -0.26 1.74 0.82 0.00 0.00 0.00 175.76 178.48 1gth h ILE 921 N 0.57 0.66 0.00 0.00 1.08 -1.80 0.16 117.51 118.19 1gth h ILE 921 Ca -0.46 -0.18 -0.00 0.00 -0.39 0.00 0.00 64.86 63.83 1gth h ILE 921 Cb 1.25 0.10 -0.00 0.00 -3.07 0.00 0.00 36.82 35.11 1gth h ILE 921 CO 0.56 0.09 -0.00 0.07 -0.69 0.00 0.00 178.15 178.18 1gth h LYS 922 N 0.51 0.00 0.00 2.37 2.10 -1.94 -1.90 116.57 117.71 1gth h LYS 922 Ca 0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.11 1gth h LYS 922 Cb 0.70 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.03 1gth h LYS 922 CO -0.41 0.00 -0.06 -0.44 -2.00 0.00 0.00 179.45 176.54 1gth h ASP 923 N 0.00 0.00 0.00 7.07 3.32 -1.04 -3.33 116.42 122.45 1gth h ASP 923 Ca -0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1gth h ASP 923 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1gth h ASP 923 CO 0.00 0.00 -1.73 1.33 -1.72 0.00 0.00 179.24 177.13 1gth n VAL 924 N -2.77 0.00 -1.68 -1.35 0.24 -0.74 -4.85 118.33 107.18 1gth n VAL 924 Ca 0.04 -0.38 -0.46 0.00 -2.04 0.00 0.00 64.34 61.51 1gth n VAL 924 Cb 0.49 0.20 -0.04 0.00 -1.47 0.00 0.00 33.84 33.03 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 -2.06 0.44 -0.96 1.34 5.41 -1.03 -1.88 119.36 120.62 1gth n ILE 925 Ca -0.02 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.65 1gth n ILE 925 Cb 0.47 -1.93 0.00 0.00 -0.71 0.00 0.00 39.64 37.47 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 4.18 0.73 0.11 7.39 0.00 -0.18 -4.85 105.19 112.57 1gth n GLY 926 Ca 0.20 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.31 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 -2.19 0.12 0.10 1.61 4.76 -0.79 -2.03 118.16 119.75 1gth n LYS 927 Ca 0.00 0.49 0.09 0.00 -2.87 0.00 0.00 58.31 56.02 1gth n LYS 927 Cb 0.02 -1.81 0.00 0.00 -1.84 0.00 0.00 35.03 31.40 1gth n LYS 927 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1gth h ALA 928 N 2.16 0.59 -0.52 7.82 0.00 -1.44 -3.36 119.26 124.51 1gth h ALA 928 Ca 0.00 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 54.87 1gth h ALA 928 Cb 0.17 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1gth h ALA 928 CO 0.00 0.22 0.40 -0.07 0.00 0.00 0.00 179.25 179.80 1gth h LEU 929 N 0.00 0.00 -2.05 0.00 3.38 -1.52 -1.20 115.31 113.92 1gth h LEU 929 Ca -0.03 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.97 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 0.09 0.06 0.09 0.00 0.00 178.44 178.69 1gth h GLN 930 N 0.00 0.00 0.00 1.13 3.07 -1.77 -1.86 115.11 115.68 1gth h GLN 930 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.99 1gth h GLN 930 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.61 1gth h GLN 930 CO -0.00 0.00 -0.33 0.66 0.09 0.00 0.00 178.83 179.25 1gth n TYR 931 N -4.41 0.16 -3.26 0.06 4.02 -0.45 -4.88 117.16 108.39 1gth n TYR 931 Ca -0.00 0.05 -0.37 0.00 -0.01 0.00 0.00 57.90 57.56 1gth n TYR 931 Cb 0.20 -0.45 -0.06 0.00 -0.02 0.00 0.00 39.34 39.02 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 -3.32 4.44 0.00 7.72 1.43 -0.70 -5.04 118.68 123.21 1gth s LEU 932 Ca 0.11 1.24 0.00 0.00 -1.03 0.00 0.00 54.13 54.45 1gth s LEU 932 Cb 0.17 -3.15 0.00 0.00 0.03 0.00 0.00 46.19 43.24 1gth s LEU 932 CO 0.64 0.17 0.00 0.61 0.23 0.00 0.00 176.35 178.01 1gth n GLY 933 N 1.24 1.53 3.91 -3.19 0.00 -1.26 -5.03 105.19 102.38 1gth n GLY 933 Ca -0.07 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.49 2.05 0.26 2.61 -4.23 -1.26 -4.97 115.64 107.62 1gth s THR 934 Ca 0.00 -0.04 0.01 0.00 -1.18 0.00 0.00 61.69 60.47 1gth s THR 934 Cb 0.00 -3.00 0.06 0.00 1.34 0.00 0.00 72.50 70.89 1gth s THR 934 CO 0.00 -0.00 1.69 0.15 -0.54 0.00 0.00 174.62 175.92 1gth h PHE 935 N -0.98 0.62 0.00 3.99 3.57 -2.02 -2.73 116.94 119.40 1gth h PHE 935 Ca -0.46 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 60.89 1gth h PHE 935 Cb 1.33 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.91 1gth h PHE 935 CO 0.31 0.76 -0.07 0.78 -2.23 0.00 0.00 178.31 177.86 1gth h GLY 936 N 1.01 0.00 1.19 2.40 0.00 -2.05 -1.45 103.07 104.18 1gth h GLY 936 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1gth h GLY 936 CO 0.05 0.00 -0.01 1.18 0.00 0.00 0.00 176.54 177.77 1gth n GLU 937 N -3.59 0.76 -3.36 4.80 1.02 -1.03 -4.78 120.64 114.46 1gth n GLU 937 Ca -0.02 -0.04 -0.38 0.00 -0.02 0.00 0.00 57.16 56.70 1gth n GLU 937 Cb 0.18 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.04 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 -2.27 4.51 -0.08 -4.62 1.43 -0.55 -4.99 118.68 112.11 1gth s LEU 938 Ca 0.39 1.15 -0.27 0.00 -1.03 0.00 0.00 54.13 54.36 1gth s LEU 938 Cb 0.21 -2.78 -0.02 0.00 0.03 0.00 0.00 46.19 43.62 1gth s LEU 938 CO 0.41 0.29 0.88 -0.55 0.23 0.00 0.00 176.35 177.61 1gth s SER 939 N -1.11 7.14 0.00 2.29 0.15 -1.26 -4.93 113.70 115.98 1gth s SER 939 Ca 0.27 1.39 0.22 0.00 0.70 0.00 0.00 55.95 58.53 1gth s SER 939 Cb -0.18 -2.50 0.57 0.00 -1.71 0.00 0.00 66.02 62.20 1gth s SER 939 CO 0.17 -0.30 1.49 -0.46 1.20 0.00 0.00 173.24 175.34 1gth n ASN 940 N 4.43 3.60 -0.02 5.45 0.23 -1.26 -4.06 115.26 123.63 1gth n ASN 940 Ca 0.04 -1.99 0.08 0.00 -0.53 0.00 0.00 54.58 52.18 1gth n ASN 940 Cb 0.50 -0.40 -0.14 0.00 -2.08 0.00 0.00 39.78 37.65 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 1.49 0.11 -2.40 1.53 -5.35 -1.26 -4.61 119.36 108.87 1gth n ILE 941 Ca 0.22 -0.45 -0.43 0.00 -0.27 0.00 0.00 62.75 61.82 1gth n ILE 941 Cb 0.58 0.02 0.01 0.00 -1.74 0.00 0.00 39.64 38.51 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 -2.19 3.73 -2.18 6.28 1.02 -1.26 -4.98 120.64 121.06 1gth n GLU 942 Ca -0.06 -3.64 -0.30 0.00 -0.02 0.00 0.00 57.16 53.14 1gth n GLU 942 Cb 0.54 -2.88 -0.00 0.00 -0.02 0.00 0.00 31.44 29.08 1gth n GLU 942 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1gth s GLN 943 N 0.01 3.64 0.22 3.49 -1.52 -1.26 -4.98 119.66 119.26 1gth s GLN 943 Ca 0.39 0.63 0.04 0.00 -1.95 0.00 0.00 55.36 54.46 1gth s GLN 943 Cb 0.09 -2.18 -0.05 0.00 -0.22 0.00 0.00 33.01 30.66 1gth s GLN 943 CO 0.02 -0.41 -0.02 0.14 -0.25 0.00 0.00 175.29 174.76 1gth s VAL 944 N -2.96 1.05 0.12 1.09 -7.23 -1.26 -1.27 120.40 109.94 1gth s VAL 944 Ca 0.53 -2.04 0.01 0.00 -1.81 0.00 0.00 61.98 58.68 1gth s VAL 944 Cb -0.11 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 1gth s VAL 944 CO 0.48 -0.39 -0.03 0.68 -0.31 0.00 0.00 175.10 175.52 1gth s VAL 945 N -3.41 0.63 0.13 1.32 -7.23 -0.26 -3.28 120.40 108.29 1gth s VAL 945 Ca 0.27 -1.94 -0.21 0.00 -1.81 0.00 0.00 61.98 58.28 1gth s VAL 945 Cb 0.05 -1.84 -0.07 0.00 0.56 0.00 0.00 36.38 35.08 1gth s VAL 945 CO 0.07 -0.73 0.66 0.00 -0.31 0.00 0.00 175.10 174.79 1gth s ALA 946 N -3.68 3.52 -0.06 1.32 0.00 -1.26 -1.18 121.76 120.42 1gth s ALA 946 Ca 0.16 0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.28 1gth s ALA 946 Cb 0.06 -2.76 0.02 0.00 0.00 0.00 0.00 23.12 20.44 1gth s ALA 946 CO -0.02 0.36 -0.07 0.54 0.00 0.00 0.00 175.76 176.57 1gth s VAL 947 N -1.20 0.73 -0.15 0.00 0.11 -0.23 -4.76 120.40 114.91 1gth s VAL 947 Ca 0.33 -0.22 -0.06 0.00 -2.93 0.00 0.00 61.98 59.11 1gth s VAL 947 Cb -0.20 -0.73 -0.04 0.00 -1.53 0.00 0.00 36.38 33.88 1gth s VAL 947 CO 0.22 0.27 0.05 -0.63 -3.33 0.00 0.00 175.10 171.68 1gth s ILE 948 N 0.97 4.71 -0.63 7.04 1.01 -1.26 -1.77 121.20 131.27 1gth s ILE 948 Ca -0.10 -0.07 -0.22 0.00 0.00 0.00 0.00 60.65 60.25 1gth s ILE 948 Cb -0.14 -3.07 0.07 0.00 0.01 0.00 0.00 42.46 39.32 1gth s ILE 948 CO 0.00 0.52 0.93 -0.62 0.00 0.00 0.00 174.94 175.77 1gth s ASP 949 N -0.14 6.19 0.60 3.58 -1.08 -0.16 -4.90 116.67 120.75 1gth s ASP 949 Ca 0.07 -0.95 0.30 0.00 -0.52 0.00 0.00 52.55 51.45 1gth s ASP 949 Cb -0.12 -2.41 1.70 0.00 -1.46 0.00 0.00 42.92 40.63 1gth s ASP 949 CO 0.01 -1.37 2.11 -0.33 0.52 0.00 0.00 175.17 176.12 1gth h GLU 950 N 9.48 0.00 0.00 4.34 5.08 -1.93 -1.38 114.58 130.17 1gth h GLU 950 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1gth h GLU 950 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1gth h GLU 950 CO 1.15 0.00 0.00 0.93 -1.00 0.00 0.00 179.01 180.09 1gth h GLU 951 N 0.00 0.00 0.00 2.33 4.39 -1.95 -3.16 114.58 116.19 1gth h GLU 951 Ca 0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.78 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 0.00 -1.57 -1.33 -1.16 0.00 0.00 179.01 174.95 1gth n MET 952 N -2.90 0.62 -1.85 2.33 2.81 -0.54 -4.55 117.12 113.05 1gth n MET 952 Ca 0.02 -0.12 -0.41 0.00 -1.81 0.00 0.00 57.70 55.38 1gth n MET 952 Cb 0.37 -1.45 -0.00 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 0.45 2.27 -2.38 0.00 -5.35 -1.26 -4.92 119.36 108.18 1gth n ILE 954 Ca 0.01 -1.97 -0.16 0.00 -0.27 0.00 0.00 62.75 60.35 1gth n ILE 954 Cb 0.40 -0.26 -0.01 0.00 -1.74 0.00 0.00 39.64 38.03 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 -0.64 -4.82 0.19 7.28 4.13 -1.26 -4.90 115.26 115.24 1gth n ASN 955 Ca 0.22 0.11 0.08 0.00 1.68 0.00 0.00 54.58 56.67 1gth n ASN 955 Cb 0.88 -4.06 0.21 0.00 -1.54 0.00 0.00 39.78 35.27 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 0.86 0.56 0.22 0.00 0.00 -1.26 -4.94 105.19 100.62 1gth n GLY 957 Ca 0.02 -0.55 -0.07 0.00 0.00 0.00 0.00 46.02 45.41 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 0.33 0.52 -0.63 1.61 1.57 -1.94 -0.89 116.57 117.14 1gth h LYS 958 Ca -0.04 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.44 1gth h LYS 958 Cb 0.20 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 1gth h LYS 958 CO 0.06 0.87 0.33 0.00 -0.57 0.00 0.00 179.45 180.14 1gth h TYR 960 N 0.86 0.08 -0.33 0.00 -0.00 -1.88 -1.74 116.97 113.96 1gth h TYR 960 Ca 0.22 0.00 -0.10 0.00 -0.00 0.00 0.00 58.73 58.86 1gth h TYR 960 Cb 0.08 -0.02 -0.02 0.00 -0.00 0.00 0.00 36.73 36.77 1gth h TYR 960 CO -0.00 0.05 -0.20 0.52 -0.00 0.00 0.00 178.16 178.52 1gth h MET 961 N 0.10 0.63 -0.31 1.82 2.86 -0.88 -1.17 114.93 117.98 1gth h MET 961 Ca 0.04 -0.23 -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 31.63 1gth h MET 961 CO -0.04 0.79 -0.50 1.15 1.06 0.00 0.00 176.91 179.37 1gth h THR 962 N 0.56 1.27 0.00 2.22 2.02 -0.98 -2.04 112.91 115.97 1gth h THR 962 Ca 0.09 -1.68 -0.11 0.00 0.77 0.00 0.00 66.41 65.47 1gth h THR 962 Cb 0.65 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.61 1gth h THR 962 CO 0.05 0.55 -0.53 0.00 0.37 0.00 0.00 175.52 175.96 1gth h ASN 964 N 0.00 -0.06 -0.07 0.00 2.35 -1.07 -0.66 115.58 116.07 1gth h ASN 964 Ca -0.01 -0.51 0.00 0.00 -0.55 0.00 0.00 56.30 55.23 1gth h ASN 964 Cb 0.96 0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.34 1gth h ASN 964 CO 0.07 0.51 0.00 0.47 -1.65 0.00 0.00 177.43 176.83 1gth n ASP 965 N -4.85 2.88 0.00 5.81 9.92 -0.78 -4.40 116.55 125.13 1gth n ASP 965 Ca -0.09 -1.91 0.00 0.00 -0.53 0.00 0.00 54.79 52.26 1gth n ASP 965 Cb 0.29 -0.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.73 1gth n ASP 965 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1gth n SER 966 N 1.24 0.00 0.00 -2.24 7.64 0.86 -5.05 113.62 116.07 1gth n SER 966 Ca 0.13 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 59.01 1gth n SER 966 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 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 4.44 0.25 0.23 0.00 -0.37 -4.84 105.19 104.90 1gth n GLY 967 Ca 0.00 -0.58 0.08 0.00 0.00 0.00 0.00 46.02 45.52 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 -4.14 1.61 4.02 -0.53 -4.87 117.16 113.25 1gth n TYR 968 Ca 0.00 -0.92 -0.31 0.00 -0.01 0.00 0.00 57.90 56.66 1gth n TYR 968 Cb 0.00 -0.15 -0.04 0.00 -0.02 0.00 0.00 39.34 39.13 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 -1.14 -2.75 0.00 -0.72 3.00 -0.52 -4.84 117.38 110.41 1gth n GLN 969 Ca 0.14 0.33 0.12 0.00 -0.01 0.00 0.00 57.00 57.58 1gth n GLN 969 Cb 0.67 -4.59 0.13 0.00 0.00 0.00 0.00 30.24 26.45 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 2.98 -2.85 -1.58 0.00 -1.26 -4.93 120.51 108.45 1gth n ALA 970 Ca -0.15 -0.62 -0.34 0.00 0.00 0.00 0.00 53.44 52.33 1gth n ALA 970 Cb 0.61 -0.87 -0.11 0.00 0.00 0.00 0.00 19.45 19.07 1gth n ALA 970 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1gth s ILE 971 N -2.24 4.09 -0.15 0.00 1.01 -1.26 -0.56 121.20 122.08 1gth s ILE 971 Ca 0.25 -0.30 -0.13 0.00 0.00 0.00 0.00 60.65 60.47 1gth s ILE 971 Cb 0.19 -2.78 -0.05 0.00 0.01 0.00 0.00 42.46 39.84 1gth s ILE 971 CO 0.43 0.52 0.27 -1.10 0.00 0.00 0.00 174.94 175.06 1gth s GLN 972 N 0.04 4.17 -0.31 2.79 -0.21 -0.25 -4.92 119.66 120.97 1gth s GLN 972 Ca 0.01 0.06 0.01 0.00 0.02 0.00 0.00 55.36 55.46 1gth s GLN 972 Cb -0.13 -3.40 0.07 0.00 1.00 0.00 0.00 33.01 30.55 1gth s GLN 972 CO 0.02 0.31 0.00 0.12 -2.12 0.00 0.00 175.29 173.63 1gth s PHE 973 N 0.26 3.40 0.14 0.91 5.36 -1.26 -0.71 117.98 126.08 1gth s PHE 973 Ca 0.16 -2.30 -0.32 0.00 -0.96 0.00 0.00 56.93 53.51 1gth s PHE 973 Cb -0.13 -2.36 -0.12 0.00 -0.34 0.00 0.00 43.02 40.08 1gth s PHE 973 CO 0.04 -0.88 1.78 -3.47 -1.46 0.00 0.00 175.22 171.23 1gth n ASP 974 N 4.49 3.90 0.16 6.13 2.03 -0.78 -4.89 116.55 127.58 1gth n ASP 974 Ca -0.09 1.02 0.13 0.00 0.52 0.00 0.00 54.79 56.37 1gth n ASP 974 Cb 0.42 -1.53 0.53 0.00 -0.72 0.00 0.00 41.12 39.82 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 7.78 0.00 0.00 -0.67 0.13 -1.98 0.02 132.00 137.28 1gth h PRO 975 Ca -0.45 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.32 1gth h PRO 975 Cb 1.22 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.29 1gth h PRO 975 CO 0.94 0.00 -2.33 0.39 -0.23 0.00 0.00 178.00 176.77 1gth n GLU 976 N -2.41 0.57 -0.00 0.86 -0.58 -1.26 -4.66 120.64 113.16 1gth n GLU 976 Ca 0.02 0.15 0.10 0.00 -0.42 0.00 0.00 57.16 57.02 1gth n GLU 976 Cb 0.25 -1.45 -0.12 0.00 -0.57 0.00 0.00 31.44 29.55 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 -3.35 0.01 -3.30 2.62 -2.24 -1.25 -4.97 114.28 101.81 1gth n THR 977 Ca -0.42 -0.19 -0.24 0.00 -2.27 0.00 0.00 64.05 60.93 1gth n THR 977 Cb 0.92 0.59 0.04 0.00 -2.10 0.00 0.00 70.33 69.78 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 -1.80 -2.16 -4.15 4.78 8.25 -0.01 -4.79 115.22 115.34 1gth n HIS 978 Ca 0.01 0.66 -0.35 0.00 -0.26 0.00 0.00 57.72 57.78 1gth n HIS 978 Cb 0.42 -4.27 -0.10 0.00 1.12 0.00 0.00 29.99 27.16 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 -6.85 3.69 0.28 2.41 1.43 -1.26 -4.34 118.68 114.05 1gth s LEU 979 Ca 0.42 0.08 -0.05 0.00 -1.03 0.00 0.00 54.13 53.55 1gth s LEU 979 Cb -0.20 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 44.07 1gth s LEU 979 CO 0.52 0.23 0.55 -2.16 0.23 0.00 0.00 176.35 175.72 1gth s PRO 980 N -0.01 3.63 -0.06 1.29 0.04 -1.26 -1.87 135.00 136.77 1gth s PRO 980 Ca 0.05 0.00 -0.02 0.00 0.04 0.00 0.00 61.00 61.06 1gth s PRO 980 Cb -0.12 -2.65 0.04 0.00 0.04 0.00 0.00 34.50 31.80 1gth s PRO 980 CO 0.01 0.22 0.10 0.99 0.04 0.00 0.00 177.00 178.37 1gth s THR 981 N -2.07 -0.16 -0.04 1.26 2.01 0.11 -4.95 115.64 111.80 1gth s THR 981 Ca 0.44 0.38 -0.30 0.00 0.31 0.00 0.00 61.69 62.52 1gth s THR 981 Cb -0.11 -0.20 -0.03 0.00 0.01 0.00 0.00 72.50 72.17 1gth s THR 981 CO 0.30 0.16 1.09 -0.69 -0.69 0.00 0.00 174.62 174.78 1gth s VAL 982 N 2.09 4.53 0.69 3.82 1.01 -1.26 -1.10 120.40 130.18 1gth s VAL 982 Ca 0.03 1.82 0.04 0.00 0.00 0.00 0.00 61.98 63.87 1gth s VAL 982 Cb -0.12 -4.17 0.13 0.00 0.00 0.00 0.00 36.38 32.22 1gth s VAL 982 CO -0.04 0.05 0.94 0.42 0.00 0.00 0.00 175.10 176.47 1gth s THR 983 N 1.72 2.01 -0.72 3.92 -4.23 0.27 -4.98 115.64 113.63 1gth s THR 983 Ca 0.53 -0.78 0.17 0.00 -1.18 0.00 0.00 61.69 60.43 1gth s THR 983 Cb -0.22 -2.23 0.17 0.00 1.34 0.00 0.00 72.50 71.56 1gth s THR 983 CO 0.23 0.00 1.54 -0.67 -0.54 0.00 0.00 174.62 175.18 1gth n ASP 984 N -2.65 0.32 -0.02 3.99 2.03 -1.26 -2.53 116.55 116.43 1gth n ASP 984 Ca 0.17 0.59 0.13 0.00 0.52 0.00 0.00 54.79 56.20 1gth n ASP 984 Cb 0.61 -0.65 0.78 0.00 -0.72 0.00 0.00 41.12 41.15 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 -1.86 0.00 -1.80 5.18 -2.24 -1.26 -4.86 114.28 107.44 1gth n THR 985 Ca 0.02 -0.01 -0.40 0.00 -2.27 0.00 0.00 64.05 61.39 1gth n THR 985 Cb 0.17 -0.39 0.01 0.00 -2.10 0.00 0.00 70.33 68.02 1gth n THR 985 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gth n THR 987 N -0.04 0.22 -1.72 0.00 -2.24 -1.26 -4.97 114.28 104.27 1gth n THR 987 Ca 0.04 -0.61 -0.11 0.00 -2.27 0.00 0.00 64.05 61.10 1gth n THR 987 Cb 0.41 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.62 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 0.35 0.63 0.35 3.38 0.00 -1.21 -4.79 105.19 103.90 1gth n GLY 988 Ca 0.05 -0.49 0.17 0.00 0.00 0.00 0.00 46.02 45.75 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 -4.42 0.00 -0.25 0.00 -1.04 -1.26 -4.97 114.28 102.35 1gth n THR 990 Ca 0.07 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.00 1gth n THR 990 Cb 0.48 0.00 0.04 0.00 -1.82 0.00 0.00 70.33 69.03 1gth n THR 990 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1gth h LEU 991 N 0.00 1.04 -0.53 -4.42 3.38 -1.97 -2.27 115.31 110.54 1gth h LEU 991 Ca 0.00 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.76 1gth h LEU 991 Cb 0.00 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1gth h LEU 991 CO 0.00 1.00 0.33 0.00 0.09 0.00 0.00 178.44 179.86 1gth h LEU 993 N 0.67 0.60 -1.47 0.00 6.46 -1.90 -2.17 115.31 117.49 1gth h LEU 993 Ca 0.20 -0.11 -0.04 0.00 -0.12 0.00 0.00 57.88 57.82 1gth h LEU 993 Cb -0.02 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 39.75 1gth h LEU 993 CO -0.07 0.63 -0.19 0.28 -0.62 0.00 0.00 178.44 178.47 1gth h SER 994 N 0.62 0.00 -0.01 1.25 0.02 -0.62 -3.14 113.55 111.67 1gth h SER 994 Ca 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1gth h SER 994 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1gth h SER 994 CO 0.00 0.19 -0.43 1.33 -1.14 0.00 0.00 176.83 176.78 1gth n VAL 995 N -3.51 0.00 -1.94 2.27 0.24 -0.68 -4.99 118.33 109.71 1gth n VAL 995 Ca -0.01 -0.28 -0.42 0.00 -2.04 0.00 0.00 64.34 61.59 1gth n VAL 995 Cb 0.35 1.13 -0.02 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 5.48 0.00 -5.00 0.00 0.13 -1.92 -3.43 132.00 127.26 1gth h PRO 997 Ca -0.45 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.03 1gth h PRO 997 Cb 1.21 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.18 1gth h PRO 997 CO 0.82 0.05 -0.31 0.42 -0.23 0.00 0.00 178.00 178.75 1gth s ILE 998 N -3.43 5.20 0.10 -3.56 -1.09 -1.26 -5.04 121.20 112.11 1gth s ILE 998 Ca 0.04 0.23 -0.31 0.00 -2.23 0.00 0.00 60.65 58.37 1gth s ILE 998 Cb 0.07 -3.73 -0.10 0.00 -1.58 0.00 0.00 42.46 37.12 1gth s ILE 998 CO 0.62 0.04 1.86 -0.38 -1.23 0.00 0.00 174.94 175.86 1gth n ILE 999 N 5.17 0.44 -1.19 2.92 5.41 -1.26 -2.29 119.36 128.55 1gth n ILE 999 Ca -0.10 -0.08 -0.07 0.00 1.00 0.00 0.00 62.75 63.51 1gth n ILE 999 Cb 0.50 -2.15 -0.03 0.00 -0.71 0.00 0.00 39.64 37.26 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 6.00 -4.60 -0.12 4.38 10.43 -1.26 -4.86 116.55 126.51 1gth n ASP 1000Ca 0.19 0.17 -0.11 0.00 2.57 0.00 0.00 54.79 57.60 1gth n ASP 1000Cb 0.38 -2.69 0.01 0.00 1.84 0.00 0.00 41.12 40.66 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 -4.51 3.83 0.09 0.00 1.01 -1.26 -0.99 121.20 119.36 1gth s ILE 1002Ca -0.11 -0.41 0.05 0.00 0.00 0.00 0.00 60.65 60.18 1gth s ILE 1002Cb 0.12 -2.62 -0.03 0.00 0.01 0.00 0.00 42.46 39.94 1gth s ILE 1002CO 0.87 0.55 -0.12 -0.13 0.00 0.00 0.00 174.94 176.11 1gth s ARG 1003N -0.29 0.86 -0.21 2.79 0.52 -0.73 -4.93 118.95 116.96 1gth s ARG 1003Ca 0.05 -1.08 -0.12 0.00 -0.52 0.00 0.00 55.73 54.05 1gth s ARG 1003Cb -0.13 -0.72 -0.05 0.00 0.52 0.00 0.00 34.95 34.58 1gth s ARG 1003CO 0.02 0.14 0.24 -1.64 0.02 0.00 0.00 175.30 174.08 1gth s MET 1004N -2.31 4.14 0.17 3.54 -1.94 -1.26 -1.07 119.30 120.57 1gth s MET 1004Ca 0.03 -0.08 0.09 0.00 -1.71 0.00 0.00 55.69 54.02 1gth s MET 1004Cb -0.06 -3.51 -0.04 0.00 2.01 0.00 0.00 34.83 33.23 1gth s MET 1004CO 0.02 0.09 -0.20 0.14 -0.01 0.00 0.00 175.02 175.05 1gth s VAL 1005N 0.96 1.95 0.21 -6.03 -7.23 -0.33 -4.92 120.40 105.01 1gth s VAL 1005Ca 0.12 -1.92 -0.32 0.00 -1.81 0.00 0.00 61.98 58.05 1gth s VAL 1005Cb -0.13 -1.89 -0.14 0.00 0.56 0.00 0.00 36.38 34.77 1gth s VAL 1005CO 0.04 -0.25 1.37 -1.20 -0.31 0.00 0.00 175.10 174.75 1gth n SER 1006N 0.34 2.40 -4.74 4.85 7.64 -1.26 -1.10 113.62 121.75 1gth n SER 1006Ca -0.13 1.13 -0.41 0.00 1.01 0.00 0.00 58.87 60.47 1gth n SER 1006Cb 0.57 -1.36 -0.03 0.00 -1.01 0.00 0.00 64.21 62.37 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 -0.19 4.48 0.02 1.43 3.52 -0.40 -4.73 118.95 123.07 1gth s ARG 1007Ca 0.71 1.90 0.22 0.00 -0.13 0.00 0.00 55.73 58.44 1gth s ARG 1007Cb -0.72 -3.23 -0.25 0.00 -1.56 0.00 0.00 34.95 29.19 1gth s ARG 1007CO 0.49 -0.10 0.63 0.25 -0.81 0.00 0.00 175.30 175.75 1gth n THR 1008N 2.45 0.13 -3.73 4.11 -2.24 -1.26 -4.93 114.28 108.80 1gth n THR 1008Ca 0.04 -0.48 -0.28 0.00 -2.27 0.00 0.00 64.05 61.06 1gth n THR 1008Cb 0.44 -0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.62 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 -3.46 5.23 0.15 4.28 -4.23 -1.26 -5.05 115.64 111.30 1gth s THR 1009Ca -0.06 -0.35 -0.31 0.00 -1.18 0.00 0.00 61.69 59.79 1gth s THR 1009Cb 0.13 -3.71 -0.11 0.00 1.34 0.00 0.00 72.50 70.15 1gth s THR 1009CO 0.88 -0.11 1.80 -2.84 -0.54 0.00 0.00 174.62 173.80 1gth s PRO 1010N -3.17 4.13 0.09 3.99 0.02 -1.26 -4.96 135.00 133.85 1gth s PRO 1010Ca 0.38 2.60 -0.26 0.00 0.02 0.00 0.00 61.00 63.74 1gth s PRO 1010Cb -0.11 -3.44 -0.06 0.00 0.02 0.00 0.00 34.50 30.90 1gth s PRO 1010CO 0.28 -0.81 0.79 -0.47 -0.33 0.00 0.00 177.00 176.46 1gth s TYR 1011N 2.27 3.80 -0.14 6.54 5.04 -1.26 -5.05 117.35 128.56 1gth s TYR 1011Ca 0.79 1.56 -0.04 0.00 -2.44 0.00 0.00 57.07 56.94 1gth s TYR 1011Cb -0.47 -2.83 0.06 0.00 0.35 0.00 0.00 41.96 39.07 1gth s TYR 1011CO 0.35 0.35 0.11 -2.00 -1.34 0.00 0.00 175.55 173.02 1gth s GLU 1012N -0.41 0.05 0.38 4.97 2.12 -1.26 -5.14 118.70 119.41 1gth s GLU 1012Ca 0.38 0.14 -0.27 0.00 0.36 0.00 0.00 54.97 55.58 1gth s GLU 1012Cb -0.22 -1.27 -0.11 0.00 0.26 0.00 0.00 34.13 32.79 1gth s GLU 1012CO 0.25 -0.55 1.35 -2.30 -0.54 0.00 0.00 175.26 173.47 1gth n PRO 1013N 5.30 2.25 -3.05 4.30 -0.02 -1.26 -4.95 135.00 137.56 1gth n PRO 1013Ca -0.06 0.79 -0.42 0.00 -2.02 0.00 0.00 63.50 61.80 1gth n PRO 1013Cb 0.49 -2.46 -0.06 0.00 -0.02 0.00 0.00 33.50 31.46 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 -2.06 3.77 0.08 -0.52 1.02 -1.26 -4.92 119.74 115.85 1gth s LYS 1014Ca 0.56 0.23 0.24 0.00 0.02 0.00 0.00 55.97 57.03 1gth s LYS 1014Cb -0.52 -3.79 0.40 0.00 -0.52 0.00 0.00 37.83 33.40 1gth s LYS 1014CO 0.61 -0.74 1.35 0.54 -0.92 0.00 0.00 175.35 176.19 1gth n ARG 1015N 6.15 0.20 0.00 1.68 5.12 -1.26 -4.96 116.66 123.59 1gth n ARG 1015Ca 0.01 0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 1gth n ARG 1015Cb 0.48 -1.62 0.00 0.00 -1.16 0.00 0.00 32.46 30.16 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 1.39 1.85 2.88 -0.13 0.00 -1.26 -4.78 105.19 105.13 1gth n GLY 1016Ca 0.04 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 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 0.85 0.99 1.43 -1.26 -5.10 118.68 117.55 1gth s LEU 1017Ca 0.00 -0.01 -0.14 0.00 -1.03 0.00 0.00 54.13 52.96 1gth s LEU 1017Cb 0.00 -0.03 0.04 0.00 0.03 0.00 0.00 46.19 46.23 1gth s LEU 1017CO 0.00 0.00 0.73 -2.65 0.23 0.00 0.00 176.35 174.67 1gth n PRO 1018N 3.11 -0.01 -3.30 1.29 -0.02 -1.26 -5.01 135.00 129.79 1gth n PRO 1018Ca -0.13 0.06 -0.25 0.00 -2.02 0.00 0.00 63.50 61.16 1gth n PRO 1018Cb 0.59 -2.06 -0.02 0.00 -0.02 0.00 0.00 33.50 32.00 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 -2.66 3.99 0.00 2.45 1.43 -1.26 -5.14 118.68 117.49 1gth s LEU 1019Ca 0.65 0.56 0.22 0.00 -1.03 0.00 0.00 54.13 54.53 1gth s LEU 1019Cb -0.27 -3.42 0.18 0.00 0.03 0.00 0.00 46.19 42.71 1gth s LEU 1019CO 0.59 -0.29 1.21 0.00 0.23 0.00 0.00 176.35 178.09