#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gut n TYR 20 N 0.00 -0.19 -4.94 0.00 4.11 -0.55 -4.82 117.16 110.78 3gut n TYR 20 Ca 0.00 -2.16 -0.26 0.00 -0.00 0.00 0.00 57.90 55.48 3gut n TYR 20 Cb 0.00 0.09 -0.16 0.00 -0.00 0.00 0.00 39.34 39.28 3gut n TYR 20 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 3gut s VAL 21 N -2.90 1.52 -0.07 -3.48 1.01 -1.26 -1.34 120.40 113.88 3gut s VAL 21 Ca 0.23 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 3gut s VAL 21 Cb 0.01 -1.27 0.03 0.00 0.00 0.00 0.00 36.38 35.15 3gut s VAL 21 CO 0.16 0.43 0.16 -1.83 0.00 0.00 0.00 175.10 174.02 3gut s GLU 22 N -0.42 0.16 -0.74 2.72 -1.05 -0.60 -4.91 118.70 113.87 3gut s GLU 22 Ca 0.07 0.29 -0.27 0.00 -0.15 0.00 0.00 54.97 54.91 3gut s GLU 22 Cb -0.08 -0.01 0.02 0.00 -0.44 0.00 0.00 34.13 33.62 3gut s GLU 22 CO -0.01 -0.08 1.35 0.42 0.95 0.00 0.00 175.26 177.90 3gut s ILE 23 N 0.53 3.69 0.21 1.83 1.09 -1.26 0.68 121.20 127.97 3gut s ILE 23 Ca -0.04 0.34 -0.10 0.00 -1.10 0.00 0.00 60.65 59.76 3gut s ILE 23 Cb -0.05 -4.81 0.15 0.00 -1.06 0.00 0.00 42.46 36.69 3gut s ILE 23 CO -0.03 -1.76 1.85 0.40 -0.10 0.00 0.00 174.94 175.31 3gut h ILE 24 N 6.16 1.10 -3.30 2.92 2.04 -1.84 -3.41 117.51 121.18 3gut h ILE 24 Ca -0.26 -0.30 -0.52 0.00 1.00 0.00 0.00 64.86 64.78 3gut h ILE 24 Cb 1.06 0.13 -0.35 0.00 -0.74 0.00 0.00 36.82 36.92 3gut h ILE 24 CO 1.28 0.16 -0.81 -0.70 0.00 0.00 0.00 178.15 178.08 3gut s GLU 25 N -6.11 1.57 0.22 2.37 2.56 -1.21 -4.97 118.70 113.13 3gut s GLU 25 Ca -0.13 -0.32 -0.13 0.00 0.00 0.00 0.00 54.97 54.40 3gut s GLU 25 Cb 0.16 -1.47 -0.08 0.00 2.00 0.00 0.00 34.13 34.74 3gut s GLU 25 CO 0.77 -0.13 0.60 -0.65 -0.56 0.00 0.00 175.26 175.29 3gut s GLN 26 N 1.21 3.92 0.45 4.30 -1.52 -1.26 -2.74 119.66 124.02 3gut s GLN 26 Ca -0.04 0.45 -0.23 0.00 -1.95 0.00 0.00 55.36 53.58 3gut s GLN 26 Cb -0.14 -2.70 -0.07 0.00 -0.22 0.00 0.00 33.01 29.87 3gut s GLN 26 CO -0.03 0.34 1.19 -1.25 -0.25 0.00 0.00 175.29 175.29 3gut s PRO 27 N -2.54 3.78 0.37 2.91 0.04 -1.26 -1.67 135.00 136.62 3gut s PRO 27 Ca 0.46 1.85 -0.28 0.00 0.04 0.00 0.00 61.00 63.07 3gut s PRO 27 Cb -0.12 -2.47 -0.11 0.00 0.04 0.00 0.00 34.50 31.83 3gut s PRO 27 CO 0.20 -0.56 1.48 0.21 0.04 0.00 0.00 177.00 178.37 3gut s LYS 28 N -2.60 4.13 -0.11 4.56 2.20 -1.21 -4.48 119.74 122.22 3gut s LYS 28 Ca 0.62 2.55 -0.27 0.00 -0.36 0.00 0.00 55.97 58.52 3gut s LYS 28 Cb -0.31 -2.98 -0.28 0.00 -1.51 0.00 0.00 37.83 32.76 3gut s LYS 28 CO 0.38 -0.52 0.80 1.96 -0.36 0.00 0.00 175.35 177.61 3gut h GLN 29 N 3.15 0.09 -6.34 4.03 4.20 -1.93 -3.45 115.11 114.86 3gut h GLN 29 Ca -0.50 -0.15 -0.61 0.00 0.06 0.00 0.00 58.65 57.44 3gut h GLN 29 Cb 1.24 0.06 -0.14 0.00 0.30 0.00 0.00 27.48 28.93 3gut h GLN 29 CO 0.65 1.07 -0.74 1.03 -0.67 0.00 0.00 178.83 180.18 3gut s ARG 30 N -2.28 1.87 0.00 1.46 0.52 -1.26 -0.51 118.95 118.75 3gut s ARG 30 Ca -0.18 -1.53 0.00 0.00 -0.52 0.00 0.00 55.73 53.50 3gut s ARG 30 Cb -0.02 -1.96 0.00 0.00 0.52 0.00 0.00 34.95 33.49 3gut s ARG 30 CO 0.73 0.37 0.00 0.41 0.02 0.00 0.00 175.30 176.83 3gut n GLY 31 N -0.37 3.67 3.62 -3.53 0.00 -1.26 -5.04 105.19 102.28 3gut n GLY 31 Ca -0.08 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.71 3gut n GLY 31 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3gut s MET 32 N 0.00 4.05 -0.10 1.61 -1.94 -1.26 -4.78 119.30 116.88 3gut s MET 32 Ca 0.00 0.06 -0.19 0.00 -1.71 0.00 0.00 55.69 53.85 3gut s MET 32 Cb 0.00 -3.62 -0.04 0.00 2.01 0.00 0.00 34.83 33.18 3gut s MET 32 CO 0.00 -0.21 0.53 -0.98 -0.01 0.00 0.00 175.02 174.35 3gut s ARG 33 N 1.85 4.36 0.32 2.03 1.70 -1.26 -3.80 118.95 124.14 3gut s ARG 33 Ca 0.16 0.55 -0.29 0.00 -0.47 0.00 0.00 55.73 55.67 3gut s ARG 33 Cb -0.15 -3.43 -0.12 0.00 -0.57 0.00 0.00 34.95 30.67 3gut s ARG 33 CO 0.09 0.15 1.46 1.19 -1.08 0.00 0.00 175.30 177.11 3gut n PHE 34 N 3.64 2.62 -4.42 5.89 3.72 -1.26 -4.95 117.46 122.70 3gut n PHE 34 Ca -0.06 0.41 -0.34 0.00 -0.05 0.00 0.00 57.45 57.40 3gut n PHE 34 Cb 0.52 -2.51 -0.11 0.00 -0.94 0.00 0.00 39.48 36.44 3gut n PHE 34 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3gut s ARG 35 N -1.20 3.20 0.65 -1.08 1.81 -0.72 -4.80 118.95 116.81 3gut s ARG 35 Ca 0.60 -0.47 -0.16 0.00 -1.72 0.00 0.00 55.73 53.98 3gut s ARG 35 Cb -0.54 -2.81 -0.00 0.00 -0.45 0.00 0.00 34.95 31.15 3gut s ARG 35 CO 0.56 0.53 1.15 0.71 -0.68 0.00 0.00 175.30 177.56 3gut s TYR 36 N -0.40 2.45 0.27 -0.53 1.51 -1.26 -3.57 117.35 115.81 3gut s TYR 36 Ca 0.07 1.56 -0.00 0.00 -1.01 0.00 0.00 57.07 57.69 3gut s TYR 36 Cb -0.12 -3.31 0.53 0.00 -0.11 0.00 0.00 41.96 38.95 3gut s TYR 36 CO 0.02 -1.98 1.80 -0.22 -1.11 0.00 0.00 175.55 174.07 3gut h LYS 37 N 0.25 0.80 0.00 -0.62 3.64 -1.92 0.29 116.57 119.00 3gut h LYS 37 Ca -0.48 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 58.84 3gut h LYS 37 Cb 1.27 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.91 3gut h LYS 37 CO 0.53 0.53 -0.05 0.00 -2.27 0.00 0.00 179.45 178.20 3gut s GLU 39 N -4.59 4.48 0.00 0.00 2.02 0.10 -4.89 118.70 115.83 3gut s GLU 39 Ca -0.04 1.70 0.00 0.00 0.02 0.00 0.00 54.97 56.64 3gut s GLU 39 Cb 0.15 -3.35 0.00 0.00 0.10 0.00 0.00 34.13 31.03 3gut s GLU 39 CO 0.59 -0.16 0.00 0.41 0.02 0.00 0.00 175.26 176.12 3gut n GLY 40 N 2.94 0.53 0.05 -1.39 0.00 -1.26 -4.46 105.19 101.59 3gut n GLY 40 Ca 0.07 -0.67 -0.06 0.00 0.00 0.00 0.00 46.02 45.36 3gut n GLY 40 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3gut n ARG 41 N 0.00 1.18 -4.11 1.61 0.63 -1.26 -5.00 116.66 109.71 3gut n ARG 41 Ca 0.00 0.04 -0.14 0.00 -0.92 0.00 0.00 57.85 56.82 3gut n ARG 41 Cb 0.00 -1.22 -0.13 0.00 0.45 0.00 0.00 32.46 31.56 3gut n ARG 41 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 3gut s SER 42 N -4.68 0.81 0.34 6.15 0.01 -1.26 -5.05 113.70 110.03 3gut s SER 42 Ca -0.11 -0.39 0.06 0.00 1.31 0.00 0.00 55.95 56.83 3gut s SER 42 Cb 0.03 -0.01 -0.01 0.00 0.21 0.00 0.00 66.02 66.25 3gut s SER 42 CO 0.29 -0.10 0.48 0.00 0.41 0.00 0.00 173.24 174.33 3gut s ALA 43 N -0.91 4.25 0.86 1.44 0.00 -1.26 -5.09 121.76 121.04 3gut s ALA 43 Ca -0.05 -1.46 -0.05 0.00 0.00 0.00 0.00 51.96 50.40 3gut s ALA 43 Cb -0.07 -1.69 0.08 0.00 0.00 0.00 0.00 23.12 21.44 3gut s ALA 43 CO 0.00 -0.05 0.17 0.41 0.00 0.00 0.00 175.76 176.29 3gut n GLY 44 N -1.66 -2.77 3.26 0.00 0.00 -1.26 -4.85 105.19 97.91 3gut n GLY 44 Ca 0.00 -0.91 -0.31 0.00 0.00 0.00 0.00 46.02 44.81 3gut n GLY 44 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gut s SER 45 N -1.94 2.99 -0.12 1.61 1.04 -1.26 -4.35 113.70 111.66 3gut s SER 45 Ca 0.13 -0.50 -0.40 0.00 0.48 0.00 0.00 55.95 55.67 3gut s SER 45 Cb -0.02 -0.79 -0.18 0.00 0.10 0.00 0.00 66.02 65.13 3gut s SER 45 CO 0.11 0.24 1.43 -0.38 0.98 0.00 0.00 173.24 175.62 3gut n ILE 46 N 2.93 0.08 -2.08 -1.02 5.41 0.25 -4.92 119.36 120.02 3gut n ILE 46 Ca -0.17 -0.02 -0.27 0.00 1.00 0.00 0.00 62.75 63.29 3gut n ILE 46 Cb 0.52 -0.70 0.10 0.00 -0.71 0.00 0.00 39.64 38.84 3gut n ILE 46 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3gut s PRO 47 N 1.59 1.83 0.26 0.38 0.04 -1.26 -4.75 135.00 133.08 3gut s PRO 47 Ca 0.93 -0.22 0.04 0.00 0.04 0.00 0.00 61.00 61.79 3gut s PRO 47 Cb -1.14 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 31.32 3gut s PRO 47 CO 0.59 -1.57 0.40 0.20 0.04 0.00 0.00 177.00 176.67 3gut s GLY 48 N -4.61 1.29 0.17 0.56 0.00 -1.26 -3.28 107.32 100.18 3gut s GLY 48 Ca 0.63 -1.13 -0.15 0.00 0.00 0.00 0.00 44.72 44.07 3gut s GLY 48 CO 0.47 -1.13 1.76 -2.09 0.00 0.00 0.00 173.10 172.11 3gut h GLU 49 N 1.17 0.35 -0.40 2.90 4.81 -1.54 -3.07 114.58 118.79 3gut h GLU 49 Ca -0.51 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.70 3gut h GLU 49 Cb 1.22 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 3gut h GLU 49 CO 0.62 0.23 0.27 0.00 -0.73 0.00 0.00 179.01 179.39 3gut h ARG 50 N 0.36 0.53 -4.77 1.92 2.47 -1.95 -3.46 114.38 109.48 3gut h ARG 50 Ca 0.19 -0.03 -0.49 0.00 -1.26 0.00 0.00 59.98 58.38 3gut h ARG 50 Cb 0.14 -0.12 0.13 0.00 -1.65 0.00 0.00 29.97 28.47 3gut h ARG 50 CO -0.16 0.35 -0.78 0.45 0.56 0.00 0.00 179.97 180.38 3gut n SER 51 N -4.81 -2.38 -0.79 7.04 2.88 -1.16 -4.97 113.62 109.43 3gut n SER 51 Ca 0.01 0.63 0.00 0.00 -1.33 0.00 0.00 58.87 58.17 3gut n SER 51 Cb 0.03 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 3gut n SER 51 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3gut n THR 52 N -0.87 0.00 -0.09 2.46 -1.04 -1.21 -4.97 114.28 108.56 3gut n THR 52 Ca 0.09 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.97 3gut n THR 52 Cb 0.33 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.76 3gut n THR 52 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 3gut h ASP 53 N 0.00 -1.61 -0.03 8.00 1.82 -2.04 -2.79 116.42 119.78 3gut h ASP 53 Ca 0.00 0.22 0.00 0.00 -0.39 0.00 0.00 57.03 56.86 3gut h ASP 53 Cb 0.00 0.67 0.00 0.00 0.68 0.00 0.00 39.33 40.68 3gut h ASP 53 CO 0.00 -0.41 0.00 0.41 -1.61 0.00 0.00 179.24 177.63 3gut n THR 54 N -5.41 0.02 -3.91 2.25 -1.04 -1.26 -4.98 114.28 99.95 3gut n THR 54 Ca -0.03 -0.14 -0.09 0.00 -2.04 0.00 0.00 64.05 61.75 3gut n THR 54 Cb 0.36 0.02 -0.09 0.00 -1.82 0.00 0.00 70.33 68.80 3gut n THR 54 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3gut s THR 55 N -1.98 0.14 0.08 12.58 2.01 -1.05 -5.14 115.64 122.27 3gut s THR 55 Ca 0.40 -1.16 -0.27 0.00 0.31 0.00 0.00 61.69 60.97 3gut s THR 55 Cb 0.20 -1.09 -0.06 0.00 0.01 0.00 0.00 72.50 71.56 3gut s THR 55 CO 0.33 -0.64 0.85 -1.59 -0.69 0.00 0.00 174.62 172.87 3gut s LYS 56 N -3.09 4.58 -0.03 4.92 0.00 -1.26 -3.32 119.74 121.55 3gut s LYS 56 Ca -0.01 1.23 0.03 0.00 0.00 0.00 0.00 55.97 57.23 3gut s LYS 56 Cb 0.02 -3.37 -0.00 0.00 0.00 0.00 0.00 37.83 34.48 3gut s LYS 56 CO -0.07 0.26 -0.13 -0.08 0.00 0.00 0.00 175.35 175.33 3gut s THR 57 N -0.06 1.09 -0.17 3.79 -1.32 -1.26 -4.61 115.64 113.10 3gut s THR 57 Ca 0.42 -0.54 0.00 0.00 -1.21 0.00 0.00 61.69 60.36 3gut s THR 57 Cb -0.22 -0.94 0.04 0.00 -1.51 0.00 0.00 72.50 69.87 3gut s THR 57 CO 0.26 0.32 -0.08 -1.00 -2.21 0.00 0.00 174.62 171.91 3gut s HIS 58 N 0.04 1.99 -1.24 9.09 3.76 -1.26 -3.98 115.29 123.69 3gut s HIS 58 Ca -0.02 -1.25 -0.20 0.00 -0.15 0.00 0.00 55.06 53.45 3gut s HIS 58 Cb -0.09 -1.46 0.02 0.00 1.11 0.00 0.00 32.58 32.16 3gut s HIS 58 CO 0.01 -0.66 1.78 -1.25 -0.85 0.00 0.00 174.74 173.77 3gut s PRO 59 N 1.54 3.52 0.69 8.40 0.04 -1.26 -4.61 135.00 143.32 3gut s PRO 59 Ca 0.01 -1.68 -0.04 0.00 0.04 0.00 0.00 61.00 59.33 3gut s PRO 59 Cb -0.15 -5.44 0.08 0.00 0.04 0.00 0.00 34.50 29.04 3gut s PRO 59 CO -0.08 -2.76 0.97 0.99 0.04 0.00 0.00 177.00 176.16 3gut s THR 60 N 6.30 2.32 0.05 1.26 2.01 -1.11 -3.49 115.64 122.97 3gut s THR 60 Ca 0.58 -0.44 -0.02 0.00 0.31 0.00 0.00 61.69 62.12 3gut s THR 60 Cb 0.02 -2.88 -0.03 0.00 0.01 0.00 0.00 72.50 69.62 3gut s THR 60 CO 0.08 0.00 0.01 0.27 -0.69 0.00 0.00 174.62 174.30 3gut s ILE 61 N -3.15 0.18 -0.05 1.82 -4.36 -0.70 -3.31 121.20 111.63 3gut s ILE 61 Ca 0.62 -1.51 0.02 0.00 -0.26 0.00 0.00 60.65 59.52 3gut s ILE 61 Cb -0.09 -1.24 0.01 0.00 1.25 0.00 0.00 42.46 42.40 3gut s ILE 61 CO 0.44 -0.83 -0.11 -0.75 0.24 0.00 0.00 174.94 173.92 3gut s LYS 62 N -3.40 1.45 -0.34 0.37 2.20 0.22 -2.53 119.74 117.70 3gut s LYS 62 Ca 0.02 -0.37 -0.15 0.00 -0.36 0.00 0.00 55.97 55.11 3gut s LYS 62 Cb 0.04 -1.24 -0.01 0.00 -1.51 0.00 0.00 37.83 35.11 3gut s LYS 62 CO -0.08 0.05 0.35 0.42 -0.36 0.00 0.00 175.35 175.73 3gut s ILE 63 N 0.55 5.18 -0.24 5.43 1.01 -0.73 -1.55 121.20 130.85 3gut s ILE 63 Ca -0.11 0.01 -0.12 0.00 0.00 0.00 0.00 60.65 60.42 3gut s ILE 63 Cb -0.14 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.47 3gut s ILE 63 CO 0.02 -0.09 0.25 0.20 0.00 0.00 0.00 174.94 175.32 3gut s ASN 64 N 1.73 6.20 0.00 3.58 -0.87 -0.45 -4.33 114.94 120.80 3gut s ASN 64 Ca 0.11 0.21 0.00 0.00 -1.57 0.00 0.00 52.86 51.61 3gut s ASN 64 Cb -0.17 -2.15 0.00 0.00 -0.02 0.00 0.00 41.25 38.91 3gut s ASN 64 CO 0.12 -0.02 0.00 0.61 -2.57 0.00 0.00 177.10 175.24 3gut n GLY 65 N 4.36 1.00 0.00 0.66 0.00 -1.26 -1.48 105.19 108.48 3gut n GLY 65 Ca -0.12 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3gut n GLY 65 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3gut n TYR 66 N -2.13 0.00 -3.68 1.61 4.19 -1.26 -4.26 117.16 111.63 3gut n TYR 66 Ca 0.00 0.00 -0.26 0.00 3.31 0.00 0.00 57.90 60.95 3gut n TYR 66 Cb 0.30 0.00 -0.17 0.00 0.49 0.00 0.00 39.34 39.96 3gut n TYR 66 CO 0.00 0.00 0.00 0.99 0.91 0.00 0.00 176.86 178.76 3gut s THR 67 N 0.00 0.24 -4.89 2.97 2.01 -1.26 -4.79 115.64 109.91 3gut s THR 67 Ca 0.00 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 61.69 3gut s THR 67 Cb 0.00 -0.78 0.00 0.00 0.01 0.00 0.00 72.50 71.73 3gut s THR 67 CO 0.00 -0.19 0.00 0.61 -0.69 0.00 0.00 174.62 174.35 3gut n GLY 68 N 5.16 -1.20 3.55 4.40 0.00 0.11 -4.85 105.19 112.36 3gut n GLY 68 Ca -0.08 -1.20 -0.54 0.00 0.00 0.00 0.00 46.02 44.20 3gut n GLY 68 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gut n PRO 69 N 0.00 0.73 -3.61 1.61 -0.02 -1.26 -4.20 135.00 128.25 3gut n PRO 69 Ca 0.00 0.26 -0.01 0.00 -2.02 0.00 0.00 63.50 61.73 3gut n PRO 69 Cb 0.00 -1.83 -0.01 0.00 -0.02 0.00 0.00 33.50 31.64 3gut n PRO 69 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3gut s GLY 70 N 0.23 -0.35 0.10 -1.23 0.00 -1.26 -4.22 107.32 100.59 3gut s GLY 70 Ca 0.85 1.13 0.06 0.00 0.00 0.00 0.00 44.72 46.77 3gut s GLY 70 CO 0.51 0.32 -0.16 -0.51 0.00 0.00 0.00 173.10 173.26 3gut s THR 71 N -2.41 1.33 -0.03 0.90 -4.23 -0.18 -0.31 115.64 110.71 3gut s THR 71 Ca 0.12 -1.51 0.03 0.00 -1.18 0.00 0.00 61.69 59.15 3gut s THR 71 Cb 0.02 -1.35 0.00 0.00 1.34 0.00 0.00 72.50 72.51 3gut s THR 71 CO -0.04 -0.26 -0.12 0.54 -0.54 0.00 0.00 174.62 174.20 3gut s VAL 72 N -1.57 1.05 -0.16 2.29 0.11 -0.86 0.30 120.40 121.56 3gut s VAL 72 Ca 0.04 -0.51 0.00 0.00 -2.93 0.00 0.00 61.98 58.58 3gut s VAL 72 Cb -0.08 -0.92 0.03 0.00 -1.53 0.00 0.00 36.38 33.88 3gut s VAL 72 CO 0.03 0.32 -0.10 -0.60 -3.33 0.00 0.00 175.10 171.42 3gut s ARG 73 N 0.12 1.92 -0.25 1.54 3.52 -0.93 -1.55 118.95 123.32 3gut s ARG 73 Ca -0.03 -0.60 -0.13 0.00 -0.13 0.00 0.00 55.73 54.84 3gut s ARG 73 Cb -0.10 -2.11 -0.04 0.00 -1.56 0.00 0.00 34.95 31.14 3gut s ARG 73 CO 0.01 -0.34 0.30 0.42 -0.81 0.00 0.00 175.30 174.88 3gut s ILE 74 N 1.52 5.24 0.34 4.11 -1.09 0.28 -1.02 121.20 130.58 3gut s ILE 74 Ca 0.02 0.44 0.10 0.00 -2.23 0.00 0.00 60.65 58.98 3gut s ILE 74 Cb -0.14 -3.63 -0.06 0.00 -1.58 0.00 0.00 42.46 37.04 3gut s ILE 74 CO -0.09 0.23 -0.11 -0.55 -1.23 0.00 0.00 174.94 173.19 3gut s SER 75 N 1.44 3.70 -0.30 3.58 0.15 -1.14 -0.62 113.70 120.51 3gut s SER 75 Ca 0.13 -1.18 -0.10 0.00 0.70 0.00 0.00 55.95 55.50 3gut s SER 75 Cb -0.15 -0.34 -0.01 0.00 -1.71 0.00 0.00 66.02 63.80 3gut s SER 75 CO 0.09 -0.17 0.15 -0.76 1.20 0.00 0.00 173.24 173.74 3gut s LEU 76 N -3.59 4.03 0.09 3.45 1.02 -1.26 0.69 118.68 123.10 3gut s LEU 76 Ca 0.32 -0.43 0.10 0.00 0.02 0.00 0.00 54.13 54.14 3gut s LEU 76 Cb 0.02 -2.01 -0.03 0.00 0.02 0.00 0.00 46.19 44.18 3gut s LEU 76 CO 0.16 -0.16 -0.25 0.68 0.02 0.00 0.00 176.35 176.80 3gut s VAL 77 N 1.63 2.06 1.06 -1.59 -7.23 0.20 0.13 120.40 116.65 3gut s VAL 77 Ca 0.05 -1.55 -0.15 0.00 -1.81 0.00 0.00 61.98 58.53 3gut s VAL 77 Cb -0.17 -1.81 0.13 0.00 0.56 0.00 0.00 36.38 35.10 3gut s VAL 77 CO 0.06 0.16 0.49 0.35 -0.31 0.00 0.00 175.10 175.85 3gut n THR 78 N 1.30 0.00 0.06 5.32 -2.24 -0.71 0.92 114.28 118.92 3gut n THR 78 Ca -0.18 -0.26 -0.03 0.00 -2.27 0.00 0.00 64.05 61.31 3gut n THR 78 Cb 0.53 -0.75 -0.01 0.00 -2.10 0.00 0.00 70.33 68.00 3gut n THR 78 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3gut h LYS 79 N -2.04 -0.16 -7.23 -0.78 3.64 -1.84 -3.39 116.57 104.77 3gut h LYS 79 Ca -0.51 0.01 -0.50 0.00 -1.27 0.00 0.00 60.65 58.38 3gut h LYS 79 Cb 1.32 0.04 0.09 0.00 -0.41 0.00 0.00 32.23 33.27 3gut h LYS 79 CO 0.40 -0.11 0.37 -0.51 -2.27 0.00 0.00 179.45 177.33 3gut s ASP 80 N -3.29 5.34 0.00 4.20 1.01 -1.26 -4.94 116.67 117.73 3gut s ASP 80 Ca -0.02 1.85 0.00 0.00 0.71 0.00 0.00 52.55 55.09 3gut s ASP 80 Cb 0.00 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.40 3gut s ASP 80 CO 0.07 -1.47 0.00 -2.65 0.21 0.00 0.00 175.17 171.33 3gut n PRO 81 N -2.50 0.00 -0.71 8.23 -0.02 -1.26 -3.60 135.00 135.14 3gut n PRO 81 Ca 0.09 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.14 3gut n PRO 81 Cb 0.53 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.91 3gut n PRO 81 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3gut n PRO 82 N -0.74 0.53 -0.48 0.52 -0.02 -1.26 -4.77 135.00 128.77 3gut n PRO 82 Ca 0.00 -1.28 -0.24 0.00 -2.02 0.00 0.00 63.50 59.96 3gut n PRO 82 Cb 0.00 -2.63 -0.06 0.00 -0.02 0.00 0.00 33.50 30.78 3gut n PRO 82 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3gut n HIS 83 N 8.35 0.00 -2.32 6.00 8.25 -1.24 -4.86 115.22 129.40 3gut n HIS 83 Ca 0.47 -0.38 -0.36 0.00 -0.26 0.00 0.00 57.72 57.19 3gut n HIS 83 Cb 0.40 -0.62 -0.01 0.00 1.12 0.00 0.00 29.99 30.88 3gut n HIS 83 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3gut s ARG 84 N 5.44 3.71 0.47 -0.41 0.52 -1.26 -4.62 118.95 122.80 3gut s ARG 84 Ca 0.37 1.67 -0.25 0.00 -0.52 0.00 0.00 55.73 57.00 3gut s ARG 84 Cb 0.08 -2.30 -0.08 0.00 0.52 0.00 0.00 34.95 33.18 3gut s ARG 84 CO 0.19 -0.56 1.43 -0.35 0.02 0.00 0.00 175.30 176.02 3gut n PRO 85 N -0.68 2.15 -2.82 3.54 -0.04 -1.26 -1.74 135.00 134.14 3gut n PRO 85 Ca 0.08 0.77 -0.40 0.00 -0.04 0.00 0.00 63.50 63.91 3gut n PRO 85 Cb 0.49 -2.63 -0.06 0.00 -0.04 0.00 0.00 33.50 31.27 3gut n PRO 85 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3gut s HIS 86 N -1.21 3.91 0.48 0.54 2.46 0.34 -4.72 115.29 117.08 3gut s HIS 86 Ca 0.63 1.78 0.13 0.00 0.47 0.00 0.00 55.06 58.07 3gut s HIS 86 Cb -0.44 -2.93 1.11 0.00 -0.13 0.00 0.00 32.58 30.19 3gut s HIS 86 CO 0.56 0.40 2.12 -1.35 -2.47 0.00 0.00 174.74 173.99 3gut h PRO 87 N 4.65 0.21 -7.25 2.88 0.11 -1.89 -3.43 132.00 127.27 3gut h PRO 87 Ca -0.45 -0.01 -0.51 0.00 0.11 0.00 0.00 66.00 65.14 3gut h PRO 87 Cb 1.20 -0.05 0.20 0.00 0.11 0.00 0.00 31.00 32.47 3gut h PRO 87 CO 0.69 0.14 0.19 -1.01 -0.21 0.00 0.00 178.00 177.79 3gut s HIS 88 N -5.23 1.56 0.41 0.65 3.76 -1.26 -4.76 115.29 110.41 3gut s HIS 88 Ca -0.06 1.70 0.07 0.00 -0.15 0.00 0.00 55.06 56.62 3gut s HIS 88 Cb 0.17 -3.31 -0.06 0.00 1.11 0.00 0.00 32.58 30.49 3gut s HIS 88 CO 0.69 -3.00 0.12 -1.21 -0.85 0.00 0.00 174.74 170.49 3gut s GLU 89 N -4.62 2.14 -0.25 1.40 2.02 -0.48 -4.89 118.70 114.02 3gut s GLU 89 Ca 0.67 -1.92 0.01 0.00 0.02 0.00 0.00 54.97 53.76 3gut s GLU 89 Cb -0.23 -1.88 0.07 0.00 0.10 0.00 0.00 34.13 32.19 3gut s GLU 89 CO 0.59 -0.08 -0.04 -1.17 0.02 0.00 0.00 175.26 174.58 3gut s LEU 90 N -3.83 2.85 0.12 1.80 2.96 -1.15 -2.51 118.68 118.91 3gut s LEU 90 Ca 0.39 -1.31 0.09 0.00 -0.22 0.00 0.00 54.13 53.08 3gut s LEU 90 Cb 0.05 -1.25 -0.04 0.00 0.50 0.00 0.00 46.19 45.45 3gut s LEU 90 CO 0.21 -0.25 -0.21 0.68 -1.32 0.00 0.00 176.35 175.46 3gut s VAL 91 N 1.33 2.67 -3.79 1.68 -7.23 -1.07 -3.41 120.40 110.57 3gut s VAL 91 Ca -0.04 -1.56 0.00 0.00 -1.81 0.00 0.00 61.98 58.56 3gut s VAL 91 Cb -0.19 -2.21 0.00 0.00 0.56 0.00 0.00 36.38 34.54 3gut s VAL 91 CO -0.07 0.11 0.00 0.61 -0.31 0.00 0.00 175.10 175.44 3gut n GLY 92 N 0.87 0.86 3.68 2.32 0.00 -1.26 -2.03 105.19 109.63 3gut n GLY 92 Ca -0.16 -1.98 -0.45 0.00 0.00 0.00 0.00 46.02 43.43 3gut n GLY 92 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3gut n LYS 93 N 0.00 2.09 -1.65 1.61 3.00 -1.24 -2.65 118.16 119.32 3gut n LYS 93 Ca 0.00 0.74 -0.18 0.00 -0.00 0.00 0.00 58.31 58.87 3gut n LYS 93 Cb 0.00 -2.42 -0.07 0.00 0.00 0.00 0.00 35.03 32.54 3gut n LYS 93 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3gut n ASP 94 N 2.23 -5.25 -4.83 3.14 8.00 -1.26 -4.85 116.55 113.73 3gut n ASP 94 Ca 0.12 0.39 -0.24 0.00 0.71 0.00 0.00 54.79 55.77 3gut n ASP 94 Cb 0.32 -4.37 -0.04 0.00 -0.02 0.00 0.00 41.12 37.01 3gut n ASP 94 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gut n ARG 96 N -1.49 0.00 -2.02 0.00 1.85 0.58 -4.90 116.66 110.69 3gut n ARG 96 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.81 3gut n ARG 96 Cb 0.64 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 32.04 3gut n ARG 96 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3gut n ASP 97 N 0.00 -1.66 -0.28 2.89 9.92 -1.26 0.81 116.55 126.98 3gut n ASP 97 Ca 0.00 0.30 -0.03 0.00 -0.53 0.00 0.00 54.79 54.53 3gut n ASP 97 Cb 0.00 -1.62 -0.00 0.00 -0.64 0.00 0.00 41.12 38.85 3gut n ASP 97 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3gut n GLY 98 N -0.42 0.38 3.28 0.44 0.00 -1.26 -4.93 105.19 102.67 3gut n GLY 98 Ca -0.05 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 45.01 3gut n GLY 98 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3gut s TYR 99 N -2.12 -0.19 -0.03 1.61 -0.85 0.24 -2.93 117.35 113.07 3gut s TYR 99 Ca 0.00 0.19 -0.09 0.00 -0.52 0.00 0.00 57.07 56.65 3gut s TYR 99 Cb 0.00 0.14 -0.05 0.00 0.38 0.00 0.00 41.96 42.43 3gut s TYR 99 CO 0.00 -0.48 0.27 -0.47 -1.52 0.00 0.00 175.55 173.35 3gut s TYR 100 N -2.04 3.62 -0.28 -3.49 6.14 0.21 -0.31 117.35 121.20 3gut s TYR 100 Ca -0.08 0.68 -0.21 0.00 0.64 0.00 0.00 57.07 58.09 3gut s TYR 100 Cb -0.02 -2.06 0.11 0.00 0.42 0.00 0.00 41.96 40.41 3gut s TYR 100 CO 0.00 0.66 0.88 -2.00 0.64 0.00 0.00 175.55 175.73 3gut s GLU 101 N -1.36 0.59 0.00 4.97 2.12 -0.39 0.98 118.70 125.61 3gut s GLU 101 Ca 0.23 0.83 0.00 0.00 0.36 0.00 0.00 54.97 56.39 3gut s GLU 101 Cb -0.14 0.22 0.00 0.00 0.26 0.00 0.00 34.13 34.48 3gut s GLU 101 CO 0.12 -0.09 0.00 0.00 -0.54 0.00 0.00 175.26 174.74 3gut n ALA 102 N 3.07 0.00 -3.07 6.30 0.00 -0.60 -4.70 120.51 121.52 3gut n ALA 102 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.94 3gut n ALA 102 Cb 0.57 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.89 3gut n ALA 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gut s ASP 103 N 1.27 4.90 0.84 0.00 1.01 -1.26 -2.03 116.67 121.40 3gut s ASP 103 Ca 0.00 -0.18 -0.14 0.00 0.71 0.00 0.00 52.55 52.95 3gut s ASP 103 Cb 0.00 -1.84 0.04 0.00 1.01 0.00 0.00 42.92 42.13 3gut s ASP 103 CO 0.00 0.07 0.72 0.18 0.21 0.00 0.00 175.17 176.35 3gut n LEU 104 N 4.18 1.65 -4.68 1.23 4.32 0.58 -4.89 117.00 119.38 3gut n LEU 104 Ca -0.17 0.48 -0.42 0.00 -0.02 0.00 0.00 56.01 55.88 3gut n LEU 104 Cb 0.52 -1.31 -0.03 0.00 -1.62 0.00 0.00 43.42 40.97 3gut n LEU 104 CO 0.32 -2.83 0.74 0.00 -1.22 0.00 0.00 177.39 174.39 3gut h PRO 106 N 7.18 0.00 -0.82 0.00 0.13 -1.91 -3.17 132.00 133.41 3gut h PRO 106 Ca -0.30 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.39 3gut h PRO 106 Cb 1.14 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.01 3gut h PRO 106 CO 0.86 0.24 0.45 -0.40 -0.23 0.00 0.00 178.00 178.91 3gut n ASP 107 N -4.13 3.62 -3.79 1.44 5.68 -1.26 0.04 116.55 118.15 3gut n ASP 107 Ca -0.02 -3.68 -0.12 0.00 -0.50 0.00 0.00 54.79 50.48 3gut n ASP 107 Cb 0.30 -0.79 -0.08 0.00 -1.14 0.00 0.00 41.12 39.42 3gut n ASP 107 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 3gut s ARG 108 N -3.32 0.72 0.00 0.11 3.52 -1.20 -5.02 118.95 113.76 3gut s ARG 108 Ca 0.54 -0.45 0.03 0.00 -0.13 0.00 0.00 55.73 55.72 3gut s ARG 108 Cb 0.46 0.31 0.02 0.00 -1.56 0.00 0.00 34.95 34.18 3gut s ARG 108 CO 0.07 -0.22 0.57 0.45 -0.81 0.00 0.00 175.30 175.37 3gut n SER 109 N 0.84 1.20 -4.11 -2.12 2.88 -1.26 -4.48 113.62 106.57 3gut n SER 109 Ca -0.20 -1.10 -0.33 0.00 -1.33 0.00 0.00 58.87 55.92 3gut n SER 109 Cb 0.58 0.06 -0.16 0.00 -0.75 0.00 0.00 64.21 63.94 3gut n SER 109 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3gut s ILE 110 N -0.33 2.03 -0.12 2.46 1.01 -1.26 -1.78 121.20 123.21 3gut s ILE 110 Ca 0.04 -0.98 -0.00 0.00 0.00 0.00 0.00 60.65 59.71 3gut s ILE 110 Cb 0.03 -1.87 0.02 0.00 0.01 0.00 0.00 42.46 40.65 3gut s ILE 110 CO 0.05 0.49 -0.09 -1.00 0.00 0.00 0.00 174.94 174.38 3gut s HIS 111 N 1.29 1.67 0.03 3.97 3.76 -1.05 -5.02 115.29 119.94 3gut s HIS 111 Ca 0.04 -0.88 0.01 0.00 -0.15 0.00 0.00 55.06 54.08 3gut s HIS 111 Cb -0.14 -1.33 -0.04 0.00 1.11 0.00 0.00 32.58 32.19 3gut s HIS 111 CO -0.12 -0.56 0.09 -1.54 -0.85 0.00 0.00 174.74 171.76 3gut s SER 112 N 1.65 5.65 -0.33 1.40 1.04 -1.26 -1.73 113.70 120.13 3gut s SER 112 Ca 0.05 0.10 0.01 0.00 0.48 0.00 0.00 55.95 56.58 3gut s SER 112 Cb -0.13 -1.59 0.08 0.00 0.10 0.00 0.00 66.02 64.48 3gut s SER 112 CO -0.09 0.23 0.04 -0.36 0.98 0.00 0.00 173.24 174.04 3gut s PHE 113 N -1.27 3.50 -0.60 5.02 0.08 -1.23 -4.96 117.98 118.51 3gut s PHE 113 Ca 0.26 -2.45 0.16 0.00 0.12 0.00 0.00 56.93 55.02 3gut s PHE 113 Cb -0.12 -2.57 0.66 0.00 -0.57 0.00 0.00 43.02 40.41 3gut s PHE 113 CO 0.17 -0.90 1.57 0.00 -0.10 0.00 0.00 175.22 175.96 3gut n GLN 114 N 4.46 3.76 -2.69 0.44 10.64 -1.26 -4.38 117.38 128.35 3gut n GLN 114 Ca -0.06 -2.87 -0.05 0.00 -1.83 0.00 0.00 57.00 52.19 3gut n GLN 114 Cb 0.42 -1.92 0.04 0.00 -0.86 0.00 0.00 30.24 27.92 3gut n GLN 114 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3gut n ASN 115 N 0.48 2.13 -4.56 2.61 5.03 -1.26 -4.86 115.26 114.82 3gut n ASN 115 Ca 0.24 -2.38 -0.36 0.00 0.87 0.00 0.00 54.58 52.94 3gut n ASN 115 Cb 0.93 -0.46 -0.11 0.00 -1.02 0.00 0.00 39.78 39.12 3gut n ASN 115 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3gut s LEU 116 N -3.71 3.73 0.27 3.41 1.43 -1.26 -3.69 118.68 118.86 3gut s LEU 116 Ca 0.31 -0.03 0.07 0.00 -1.03 0.00 0.00 54.13 53.45 3gut s LEU 116 Cb 0.35 -1.98 -0.06 0.00 0.03 0.00 0.00 46.19 44.53 3gut s LEU 116 CO -0.02 0.06 -0.09 -0.83 0.23 0.00 0.00 176.35 175.70 3gut s GLY 117 N 1.06 1.80 -0.07 -3.19 0.00 -0.86 0.87 107.32 106.92 3gut s GLY 117 Ca 0.05 -1.88 0.05 0.00 0.00 0.00 0.00 44.72 42.94 3gut s GLY 117 CO 0.03 -1.85 -0.24 -0.42 0.00 0.00 0.00 173.10 170.62 3gut s ILE 118 N -2.93 1.98 -0.33 0.90 1.09 -1.26 -2.60 121.20 118.05 3gut s ILE 118 Ca 0.29 -1.01 0.03 0.00 -1.10 0.00 0.00 60.65 58.86 3gut s ILE 118 Cb 0.02 -1.70 0.10 0.00 -1.06 0.00 0.00 42.46 39.82 3gut s ILE 118 CO 0.12 0.55 0.06 -1.58 -0.10 0.00 0.00 174.94 173.98 3gut s GLN 119 N 0.08 1.35 0.83 2.79 0.74 -1.05 -1.75 119.66 122.65 3gut s GLN 119 Ca -0.10 -1.71 -0.11 0.00 0.05 0.00 0.00 55.36 53.49 3gut s GLN 119 Cb -0.15 -2.96 0.09 0.00 1.10 0.00 0.00 33.01 31.08 3gut s GLN 119 CO 0.06 -0.94 1.09 0.00 -0.55 0.00 0.00 175.29 174.95 3gut s VAL 121 N -2.98 2.74 0.09 0.00 -7.23 -1.26 -4.39 120.40 107.37 3gut s VAL 121 Ca 0.62 -1.32 -0.15 0.00 -1.81 0.00 0.00 61.98 59.32 3gut s VAL 121 Cb -0.17 -3.01 -0.06 0.00 0.56 0.00 0.00 36.38 33.70 3gut s VAL 121 CO 0.56 -0.01 0.50 -0.54 -0.31 0.00 0.00 175.10 175.29 3gut s LYS 122 N -4.13 3.98 0.00 4.82 1.02 -1.26 -4.91 119.74 119.25 3gut s LYS 122 Ca 0.48 0.47 0.00 0.00 0.02 0.00 0.00 55.97 56.94 3gut s LYS 122 Cb -0.04 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 34.20 3gut s LYS 122 CO 0.28 0.58 0.77 1.17 -0.92 0.00 0.00 175.35 177.23 3gut n LYS 123 N 1.25 0.00 -0.06 1.68 3.00 -1.26 -0.23 118.16 122.54 3gut n LYS 123 Ca -0.09 0.30 -0.22 0.00 -0.00 0.00 0.00 58.31 58.30 3gut n LYS 123 Cb 0.52 -1.60 -0.13 0.00 0.00 0.00 0.00 35.03 33.82 3gut n LYS 123 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3gut n ARG 124 N -1.27 0.67 -1.75 1.64 0.63 -1.26 -4.21 116.66 111.10 3gut n ARG 124 Ca 0.00 0.38 -0.35 0.00 -0.92 0.00 0.00 57.85 56.96 3gut n ARG 124 Cb 0.10 -1.70 0.00 0.00 0.45 0.00 0.00 32.46 31.32 3gut n ARG 124 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3gut n ASP 125 N -3.90 7.13 -0.09 6.15 8.00 0.68 -4.51 116.55 130.01 3gut n ASP 125 Ca -0.34 -3.60 -0.18 0.00 0.71 0.00 0.00 54.79 51.38 3gut n ASP 125 Cb 0.89 -1.13 -0.12 0.00 -0.02 0.00 0.00 41.12 40.74 3gut n ASP 125 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3gut h LEU 126 N 3.35 0.00 -0.87 0.64 7.12 -1.66 -3.29 115.31 120.60 3gut h LEU 126 Ca 0.50 -0.73 0.02 0.00 0.13 0.00 0.00 57.88 57.80 3gut h LEU 126 Cb 0.29 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 40.37 3gut h LEU 126 CO 1.22 1.25 0.57 -0.33 -0.13 0.00 0.00 178.44 181.02 3gut h GLU 127 N -1.00 1.10 0.00 1.25 4.39 -1.90 -2.04 114.58 116.38 3gut h GLU 127 Ca -0.18 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.45 3gut h GLU 127 Cb 1.15 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 3gut h GLU 127 CO -0.11 0.72 0.00 0.37 -1.16 0.00 0.00 179.01 178.83 3gut h GLN 128 N 1.13 0.00 0.07 2.33 4.15 -1.89 -1.84 115.11 119.06 3gut h GLN 128 Ca 0.33 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.55 3gut h GLN 128 Cb -0.06 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 3gut h GLN 128 CO -0.09 0.00 -1.07 0.00 -1.93 0.00 0.00 178.83 175.74 3gut h ALA 129 N 2.08 0.15 -0.79 3.38 0.00 -1.46 -3.25 119.26 119.36 3gut h ALA 129 Ca 0.00 -0.98 -0.01 0.00 0.00 0.00 0.00 54.91 53.93 3gut h ALA 129 Cb 0.42 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 3gut h ALA 129 CO 0.00 0.61 0.47 0.82 0.00 0.00 0.00 179.25 181.15 3gut h ILE 130 N -0.60 1.22 0.00 0.00 2.04 -1.26 -1.12 117.51 117.78 3gut h ILE 130 Ca -0.25 -0.50 -0.03 0.00 1.00 0.00 0.00 64.86 65.09 3gut h ILE 130 Cb 1.50 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 3gut h ILE 130 CO -0.01 0.24 -0.13 0.77 0.00 0.00 0.00 178.15 179.01 3gut h SER 131 N 1.09 0.00 1.96 1.72 4.64 -1.47 -2.21 113.55 119.27 3gut h SER 131 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3gut h SER 131 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3gut h SER 131 CO -0.05 0.13 0.00 -0.61 -0.87 0.00 0.00 176.83 175.43 3gut h GLN 132 N 0.00 0.00 -0.08 4.77 4.15 -1.24 -1.84 115.11 120.88 3gut h GLN 132 Ca -0.00 0.00 -0.22 0.00 0.77 0.00 0.00 58.65 59.20 3gut h GLN 132 Cb 0.43 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.13 3gut h GLN 132 CO 0.02 0.00 -0.85 0.00 -1.93 0.00 0.00 178.83 176.07 3gut h ARG 133 N 0.00 0.61 0.17 1.69 2.47 -1.22 -2.59 114.38 115.51 3gut h ARG 133 Ca 0.00 -0.56 -0.01 0.00 -1.26 0.00 0.00 59.98 58.16 3gut h ARG 133 Cb 0.98 0.13 0.00 0.00 -1.65 0.00 0.00 29.97 29.43 3gut h ARG 133 CO 0.00 1.17 -0.08 0.82 0.56 0.00 0.00 179.97 182.44 3gut h ILE 134 N 0.39 0.94 0.00 2.04 1.08 -1.44 0.61 117.51 121.13 3gut h ILE 134 Ca -0.07 -0.86 -0.02 0.00 -0.39 0.00 0.00 64.86 63.52 3gut h ILE 134 Cb 1.47 1.44 -0.00 0.00 -3.07 0.00 0.00 36.82 36.66 3gut h ILE 134 CO 0.16 0.19 -0.10 0.06 -0.69 0.00 0.00 178.15 177.77 3gut h GLN 135 N -0.67 0.00 -0.57 2.37 -0.00 -1.42 -2.50 115.11 112.32 3gut h GLN 135 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.63 3gut h GLN 135 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.97 3gut h GLN 135 CO 0.04 0.10 0.00 -2.37 -0.00 0.00 0.00 178.83 176.60 3gut n THR 136 N -3.53 1.18 -3.21 1.86 5.66 -0.98 -5.01 114.28 110.26 3gut n THR 136 Ca -0.02 -1.07 -0.23 0.00 -3.05 0.00 0.00 64.05 59.69 3gut n THR 136 Cb 0.24 0.41 0.02 0.00 -1.55 0.00 0.00 70.33 69.46 3gut n THR 136 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 3gut n ASN 137 N 1.10 -6.68 -3.42 1.09 5.03 -0.94 -4.98 115.26 106.45 3gut n ASN 137 Ca 0.20 0.11 -0.28 0.00 0.87 0.00 0.00 54.58 55.49 3gut n ASN 137 Cb 0.61 -3.52 -0.11 0.00 -1.02 0.00 0.00 39.78 35.74 3gut n ASN 137 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 3gut s ASN 138 N -2.14 1.88 -0.48 6.41 2.47 0.19 -4.99 114.94 118.27 3gut s ASN 138 Ca 0.28 -2.85 0.06 0.00 0.42 0.00 0.00 52.86 50.78 3gut s ASN 138 Cb -0.05 -0.45 0.21 0.00 -1.45 0.00 0.00 41.25 39.51 3gut s ASN 138 CO 0.82 -0.21 0.70 -3.20 -3.72 0.00 0.00 177.10 171.50 3gut n ASN 139 N 3.15 -2.49 -0.04 -4.21 5.15 -1.26 -4.58 115.26 110.97 3gut n ASN 139 Ca 0.25 -2.94 0.15 0.00 -0.60 0.00 0.00 54.58 51.44 3gut n ASN 139 Cb 0.45 1.20 0.57 0.00 -0.53 0.00 0.00 39.78 41.47 3gut n ASN 139 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3gut h PRO 140 N 4.67 0.24 -0.54 1.20 0.13 -1.94 -1.11 132.00 134.65 3gut h PRO 140 Ca 0.02 -0.01 -0.17 0.00 -0.87 0.00 0.00 66.00 64.97 3gut h PRO 140 Cb 1.03 -0.05 -0.10 0.00 0.13 0.00 0.00 31.00 32.01 3gut h PRO 140 CO 0.21 0.16 0.14 1.19 -0.23 0.00 0.00 178.00 179.47 3gut n PHE 141 N -4.45 1.78 -2.50 1.56 3.72 -1.26 -4.90 117.46 111.40 3gut n PHE 141 Ca 0.09 -1.25 -0.15 0.00 -0.05 0.00 0.00 57.45 56.09 3gut n PHE 141 Cb 0.45 -0.56 -0.03 0.00 -0.94 0.00 0.00 39.48 38.40 3gut n PHE 141 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3gut n HIS 142 N -0.55 -0.54 -1.64 1.38 8.25 -0.42 -4.80 115.22 116.90 3gut n HIS 142 Ca 0.35 0.23 -0.49 0.00 -0.26 0.00 0.00 57.72 57.56 3gut n HIS 142 Cb 1.20 -0.70 -0.05 0.00 1.12 0.00 0.00 29.99 31.55 3gut n HIS 142 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3gut n VAL 143 N -1.80 0.06 -1.51 1.59 0.31 -1.26 -4.89 118.33 110.83 3gut n VAL 143 Ca 0.04 -0.01 -0.36 0.00 -0.01 0.00 0.00 64.34 64.00 3gut n VAL 143 Cb 0.19 -1.29 0.07 0.00 -0.91 0.00 0.00 33.84 31.90 3gut n VAL 143 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3gut n PRO 144 N 3.44 0.75 0.24 5.55 -0.02 -1.26 -4.80 135.00 138.90 3gut n PRO 144 Ca 0.18 0.31 0.14 0.00 -2.02 0.00 0.00 63.50 62.11 3gut n PRO 144 Cb 0.25 -2.29 0.80 0.00 -0.02 0.00 0.00 33.50 32.24 3gut n PRO 144 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3gut h ILE 145 N 0.11 0.65 0.12 4.25 6.09 -1.99 0.37 117.51 127.12 3gut h ILE 145 Ca -0.49 0.00 -0.22 0.00 -1.37 0.00 0.00 64.86 62.78 3gut h ILE 145 Cb 1.34 0.93 0.01 0.00 0.47 0.00 0.00 36.82 39.57 3gut h ILE 145 CO 0.49 0.00 -1.07 -0.33 -3.07 0.00 0.00 178.15 174.18 3gut h GLU 146 N 0.00 0.26 0.00 2.19 5.08 -2.00 -3.31 114.58 116.79 3gut h GLU 146 Ca 0.05 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 3gut h GLU 146 Cb 0.23 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3gut h GLU 146 CO -0.00 1.21 0.00 0.39 -1.00 0.00 0.00 179.01 179.61 3gut n GLU 147 N -4.06 0.89 0.11 2.33 4.71 -0.91 -3.24 120.64 120.47 3gut n GLU 147 Ca -0.19 0.00 0.12 0.00 -0.01 0.00 0.00 57.16 57.08 3gut n GLU 147 Cb 0.84 -1.44 0.24 0.00 -1.01 0.00 0.00 31.44 30.07 3gut n GLU 147 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 3gut h GLN 148 N 0.00 0.00 -6.94 3.49 4.20 -1.03 -3.46 115.11 111.37 3gut h GLN 148 Ca 0.00 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.21 3gut h GLN 148 Cb 0.00 0.00 0.04 0.00 0.30 0.00 0.00 27.48 27.82 3gut h GLN 148 CO 0.00 0.00 0.47 1.03 -0.67 0.00 0.00 178.83 179.66 3gut s ARG 149 N -3.17 4.12 0.00 1.46 0.52 -1.20 -4.97 118.95 115.71 3gut s ARG 149 Ca 0.07 1.71 0.00 0.00 -0.52 0.00 0.00 55.73 56.99 3gut s ARG 149 Cb 0.11 -2.65 0.00 0.00 0.52 0.00 0.00 34.95 32.93 3gut s ARG 149 CO 0.67 -0.23 0.00 0.41 0.02 0.00 0.00 175.30 176.17 3gut n GLY 150 N 0.56 3.36 3.77 -3.53 0.00 -1.26 -5.10 105.19 102.99 3gut n GLY 150 Ca 0.04 -1.77 -0.39 0.00 0.00 0.00 0.00 46.02 43.90 3gut n GLY 150 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gut s ASP 151 N 0.00 7.00 -0.11 1.61 1.01 -1.26 -5.05 116.67 119.87 3gut s ASP 151 Ca 0.00 2.18 -0.03 0.00 0.71 0.00 0.00 52.55 55.41 3gut s ASP 151 Cb 0.00 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 3gut s ASP 151 CO 0.00 -0.32 0.02 -0.31 0.21 0.00 0.00 175.17 174.76 3gut s TYR 152 N -1.38 3.20 -0.72 4.23 1.51 -1.26 -5.06 117.35 117.87 3gut s TYR 152 Ca 0.51 0.14 -0.26 0.00 -1.01 0.00 0.00 57.07 56.45 3gut s TYR 152 Cb -0.28 -1.87 0.04 0.00 -0.11 0.00 0.00 41.96 39.74 3gut s TYR 152 CO 0.35 0.38 1.19 0.34 -1.11 0.00 0.00 175.55 176.70 3gut s ASP 153 N -0.54 6.17 0.00 2.29 2.15 -1.26 -4.86 116.67 120.62 3gut s ASP 153 Ca 0.09 -0.63 0.24 0.00 0.43 0.00 0.00 52.55 52.68 3gut s ASP 153 Cb -0.12 -2.52 1.19 0.00 -0.30 0.00 0.00 42.92 41.17 3gut s ASP 153 CO 0.02 -1.71 1.77 0.18 -0.17 0.00 0.00 175.17 175.26 3gut n LEU 154 N 8.86 0.00 -1.19 -1.34 4.77 -1.26 -3.12 117.00 123.71 3gut n LEU 154 Ca 0.01 0.28 0.10 0.00 -0.03 0.00 0.00 56.01 56.38 3gut n LEU 154 Cb 0.48 -0.28 0.29 0.00 -2.33 0.00 0.00 43.42 41.57 3gut n LEU 154 CO 0.69 -0.06 0.74 0.59 -1.33 0.00 0.00 177.39 178.02 3gut n ASN 155 N -1.28 3.73 -3.65 -1.43 5.03 -1.26 -4.88 115.26 111.51 3gut n ASN 155 Ca 0.11 -2.00 -0.14 0.00 0.87 0.00 0.00 54.58 53.42 3gut n ASN 155 Cb 0.19 -0.43 -0.08 0.00 -1.02 0.00 0.00 39.78 38.44 3gut n ASN 155 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3gut s ALA 156 N -1.00 -1.47 0.28 5.41 0.00 -1.18 -0.14 121.76 123.65 3gut s ALA 156 Ca 0.43 1.53 0.01 0.00 0.00 0.00 0.00 51.96 53.93 3gut s ALA 156 Cb 0.23 -0.75 -0.00 0.00 0.00 0.00 0.00 23.12 22.59 3gut s ALA 156 CO 0.29 -0.29 0.35 1.33 0.00 0.00 0.00 175.76 177.44 3gut n VAL 157 N 2.37 0.00 -3.70 0.00 0.24 -0.97 -4.47 118.33 111.81 3gut n VAL 157 Ca -0.15 -1.60 -0.18 0.00 -2.04 0.00 0.00 64.34 60.37 3gut n VAL 157 Cb 0.56 0.92 -0.17 0.00 -1.47 0.00 0.00 33.84 33.68 3gut n VAL 157 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3gut s ARG 158 N -2.78 -0.04 0.43 7.34 0.52 0.26 -1.54 118.95 123.14 3gut s ARG 158 Ca 0.26 0.36 -0.25 0.00 -0.52 0.00 0.00 55.73 55.57 3gut s ARG 158 Cb -0.00 -0.39 -0.08 0.00 0.52 0.00 0.00 34.95 35.00 3gut s ARG 158 CO 0.19 -0.28 1.33 -0.51 0.02 0.00 0.00 175.30 176.05 3gut s LEU 159 N 1.85 4.15 -0.54 2.53 1.43 -1.26 -0.63 118.68 126.21 3gut s LEU 159 Ca 0.00 2.72 0.04 0.00 -1.03 0.00 0.00 54.13 55.86 3gut s LEU 159 Cb -0.12 -3.95 0.16 0.00 0.03 0.00 0.00 46.19 42.31 3gut s LEU 159 CO -0.04 -0.99 0.39 0.00 0.23 0.00 0.00 176.35 175.95 3gut s PHE 161 N -0.52 1.62 -0.50 0.00 0.40 -1.08 -2.89 117.98 115.00 3gut s PHE 161 Ca 0.27 -0.27 0.04 0.00 -0.60 0.00 0.00 56.93 56.37 3gut s PHE 161 Cb -0.04 -4.20 0.13 0.00 0.51 0.00 0.00 43.02 39.42 3gut s PHE 161 CO -0.15 -5.20 0.24 -0.65 0.70 0.00 0.00 175.22 170.15 3gut s GLN 162 N 3.87 1.87 0.13 0.44 -0.21 -0.19 -2.61 119.66 122.96 3gut s GLN 162 Ca 0.85 -2.50 -0.23 0.00 0.02 0.00 0.00 55.36 53.50 3gut s GLN 162 Cb -0.43 -3.21 -0.07 0.00 1.00 0.00 0.00 33.01 30.30 3gut s GLN 162 CO 0.39 -1.10 0.69 0.08 -2.12 0.00 0.00 175.29 173.23 3gut s VAL 163 N -0.13 4.53 -0.31 1.09 1.01 -1.26 -2.19 120.40 123.13 3gut s VAL 163 Ca 0.17 1.49 0.02 0.00 0.00 0.00 0.00 61.98 63.65 3gut s VAL 163 Cb -0.25 -4.03 0.09 0.00 0.00 0.00 0.00 36.38 32.19 3gut s VAL 163 CO -0.01 0.52 0.05 -0.89 0.00 0.00 0.00 175.10 174.78 3gut s THR 164 N -1.15 1.71 0.00 3.92 2.01 0.15 -1.35 115.64 120.93 3gut s THR 164 Ca 0.33 -1.87 0.00 0.00 0.31 0.00 0.00 61.69 60.46 3gut s THR 164 Cb -0.21 -2.22 0.00 0.00 0.01 0.00 0.00 72.50 70.07 3gut s THR 164 CO 0.23 -0.55 0.00 1.33 -0.69 0.00 0.00 174.62 174.94 3gut n VAL 165 N 4.51 0.00 -5.00 3.82 0.24 0.32 -1.01 118.33 121.22 3gut n VAL 165 Ca -0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.02 3gut n VAL 165 Cb 0.42 -0.91 -0.15 0.00 -1.47 0.00 0.00 33.84 31.73 3gut n VAL 165 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3gut s ARG 166 N 0.25 1.69 0.95 7.34 0.52 -1.26 0.29 118.95 128.73 3gut s ARG 166 Ca 0.00 -0.78 -0.11 0.00 -0.52 0.00 0.00 55.73 54.32 3gut s ARG 166 Cb 0.00 -1.65 0.17 0.00 0.52 0.00 0.00 34.95 33.98 3gut s ARG 166 CO 0.00 0.45 1.10 0.16 0.02 0.00 0.00 175.30 177.03 3gut s ASP 167 N -0.58 2.75 0.57 0.23 1.47 -1.19 -4.79 116.67 115.13 3gut s ASP 167 Ca 0.08 1.82 0.32 0.00 1.18 0.00 0.00 52.55 55.96 3gut s ASP 167 Cb -0.08 -2.41 1.41 0.00 -0.34 0.00 0.00 42.92 41.50 3gut s ASP 167 CO -0.00 -3.14 1.73 1.55 0.68 0.00 0.00 175.17 175.98 3gut h PRO 168 N -1.90 0.00 0.47 2.11 0.13 -1.98 -1.46 132.00 129.37 3gut h PRO 168 Ca -0.49 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 3gut h PRO 168 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 3gut h PRO 168 CO 0.48 0.00 -0.42 0.00 -0.23 0.00 0.00 178.00 177.83 3gut h ALA 169 N 1.24 -0.96 0.00 -0.56 0.00 -2.04 -3.48 119.26 113.46 3gut h ALA 169 Ca 0.43 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3gut h ALA 169 Cb 2.04 0.59 0.00 0.00 0.00 0.00 0.00 17.79 20.42 3gut h ALA 169 CO -0.00 -1.07 0.00 0.41 0.00 0.00 0.00 179.25 178.58 3gut n GLY 170 N -1.52 1.71 3.71 0.00 0.00 -0.55 -5.13 105.19 103.41 3gut n GLY 170 Ca -0.11 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 3gut n GLY 170 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3gut s ARG 171 N 0.00 4.52 0.16 1.61 6.06 -1.26 -4.80 118.95 125.23 3gut s ARG 171 Ca 0.00 1.46 -0.23 0.00 -2.50 0.00 0.00 55.73 54.46 3gut s ARG 171 Cb 0.00 -3.46 -0.14 0.00 0.06 0.00 0.00 34.95 31.40 3gut s ARG 171 CO 0.00 -0.13 0.45 -2.30 -2.50 0.00 0.00 175.30 170.82 3gut n PRO 172 N 4.13 0.00 -3.81 5.12 -0.02 -1.26 -3.20 135.00 135.97 3gut n PRO 172 Ca 0.07 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.28 3gut n PRO 172 Cb 0.50 -0.84 -0.17 0.00 -0.02 0.00 0.00 33.50 32.97 3gut n PRO 172 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3gut s LEU 173 N 2.36 1.26 -0.03 2.45 2.96 0.83 -4.72 118.68 123.79 3gut s LEU 173 Ca 0.53 -0.62 -0.29 0.00 -0.22 0.00 0.00 54.13 53.53 3gut s LEU 173 Cb -0.78 -0.70 -0.03 0.00 0.50 0.00 0.00 46.19 45.19 3gut s LEU 173 CO 0.46 -0.24 0.96 -0.22 -1.32 0.00 0.00 176.35 175.99 3gut s LEU 174 N 1.79 4.34 0.00 -0.68 2.96 -1.26 -0.52 118.68 125.30 3gut s LEU 174 Ca 0.01 1.58 -0.09 0.00 -0.22 0.00 0.00 54.13 55.41 3gut s LEU 174 Cb -0.15 -3.52 0.18 0.00 0.50 0.00 0.00 46.19 43.20 3gut s LEU 174 CO -0.07 -0.29 1.13 0.18 -1.32 0.00 0.00 176.35 175.98 3gut n LEU 175 N 4.13 0.00 -4.74 -0.68 4.77 -0.45 -4.96 117.00 115.06 3gut n LEU 175 Ca 0.06 -1.69 -0.41 0.00 -0.03 0.00 0.00 56.01 53.94 3gut n LEU 175 Cb 0.51 -0.81 -0.05 0.00 -2.33 0.00 0.00 43.42 40.74 3gut n LEU 175 CO 0.51 -1.20 0.68 0.28 -1.33 0.00 0.00 177.39 176.33 3gut s THR 176 N -3.40 4.20 -0.04 -5.08 -1.32 -1.26 -4.75 115.64 103.99 3gut s THR 176 Ca 0.68 2.01 -0.30 0.00 -1.21 0.00 0.00 61.69 62.88 3gut s THR 176 Cb -0.03 -4.28 -0.07 0.00 -1.51 0.00 0.00 72.50 66.61 3gut s THR 176 CO 0.47 0.40 1.80 -2.16 -2.21 0.00 0.00 174.62 172.91 3gut s PRO 177 N -0.65 4.09 -0.21 7.08 0.04 -1.26 -4.75 135.00 139.33 3gut s PRO 177 Ca 0.44 2.30 -0.05 0.00 0.04 0.00 0.00 61.00 63.73 3gut s PRO 177 Cb -0.26 -4.07 -0.02 0.00 0.04 0.00 0.00 34.50 30.19 3gut s PRO 177 CO 0.32 -0.98 0.01 0.54 0.04 0.00 0.00 177.00 176.93 3gut s VAL 178 N 4.48 3.96 0.39 -0.36 0.11 -1.07 -4.99 120.40 122.92 3gut s VAL 178 Ca 0.80 -0.31 0.00 0.00 -2.93 0.00 0.00 61.98 59.55 3gut s VAL 178 Cb -0.36 -2.80 -0.02 0.00 -1.53 0.00 0.00 36.38 31.67 3gut s VAL 178 CO 0.34 0.42 0.61 -0.76 -3.33 0.00 0.00 175.10 172.38 3gut s LEU 179 N 1.12 3.85 0.20 2.54 1.02 -1.26 -2.65 118.68 123.50 3gut s LEU 179 Ca 0.03 0.40 0.09 0.00 0.02 0.00 0.00 54.13 54.67 3gut s LEU 179 Cb -0.14 -3.27 -0.04 0.00 0.02 0.00 0.00 46.19 42.75 3gut s LEU 179 CO 0.02 -0.47 -0.09 -0.94 0.02 0.00 0.00 176.35 174.89 3gut s SER 180 N -4.11 4.25 1.04 2.29 1.04 -1.21 -4.93 113.70 112.07 3gut s SER 180 Ca 0.44 -0.62 -0.15 0.00 0.48 0.00 0.00 55.95 56.09 3gut s SER 180 Cb -0.10 -0.71 0.09 0.00 0.10 0.00 0.00 66.02 65.40 3gut s SER 180 CO 0.37 0.08 0.28 0.00 0.98 0.00 0.00 173.24 174.95 3gut n HIS 181 N -0.16 -1.35 -2.30 5.02 1.44 -1.26 -4.59 115.22 112.02 3gut n HIS 181 Ca -0.10 0.17 -0.36 0.00 -2.01 0.00 0.00 57.72 55.42 3gut n HIS 181 Cb 0.56 -1.68 -0.01 0.00 0.12 0.00 0.00 29.99 28.98 3gut n HIS 181 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 3gut s PRO 182 N -3.63 3.61 0.02 -1.40 0.04 -1.26 -4.70 135.00 127.69 3gut s PRO 182 Ca 0.57 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.27 3gut s PRO 182 Cb -0.17 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 3gut s PRO 182 CO 0.66 -0.65 0.10 0.42 0.04 0.00 0.00 177.00 177.58 3gut s ILE 183 N -1.68 4.81 -0.04 0.56 -1.09 -0.59 -4.59 121.20 118.58 3gut s ILE 183 Ca 0.67 -0.48 0.04 0.00 -2.23 0.00 0.00 60.65 58.66 3gut s ILE 183 Cb -0.25 -3.25 -0.00 0.00 -1.58 0.00 0.00 42.46 37.37 3gut s ILE 183 CO 0.30 0.26 -0.16 -0.36 -1.23 0.00 0.00 174.94 173.75 3gut s PHE 184 N -1.29 1.64 -0.07 3.97 0.08 0.34 -2.28 117.98 120.36 3gut s PHE 184 Ca 0.26 -0.46 -0.30 0.00 0.12 0.00 0.00 56.93 56.56 3gut s PHE 184 Cb -0.12 -1.11 -0.05 0.00 -0.57 0.00 0.00 43.02 41.17 3gut s PHE 184 CO 0.18 -0.15 1.66 0.34 -0.10 0.00 0.00 175.22 177.15 3gut s ASP 185 N 0.03 6.61 0.00 1.36 2.15 0.80 -4.48 116.67 123.14 3gut s ASP 185 Ca -0.03 2.16 0.00 0.00 0.43 0.00 0.00 52.55 55.11 3gut s ASP 185 Cb -0.11 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 3gut s ASP 185 CO 0.02 -0.98 0.59 -3.20 -0.17 0.00 0.00 175.17 171.43 3gut n ASN 186 N 7.36 1.62 -0.09 -0.34 5.15 -1.25 -3.43 115.26 124.28 3gut n ASN 186 Ca 0.18 -1.26 -0.08 0.00 -0.60 0.00 0.00 54.58 52.81 3gut n ASN 186 Cb 0.43 -0.33 -0.03 0.00 -0.53 0.00 0.00 39.78 39.32 3gut n ASN 186 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 3gut n ARG 187 N 1.54 0.52 -2.50 1.20 0.63 -1.26 -4.84 116.66 111.95 3gut n ARG 187 Ca 0.00 0.25 -0.43 0.00 -0.92 0.00 0.00 57.85 56.75 3gut n ARG 187 Cb 0.17 -1.46 -0.02 0.00 0.45 0.00 0.00 32.46 31.60 3gut n ARG 187 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3gut s ALA 188 N -2.89 3.38 -0.43 5.13 0.00 -1.22 -4.91 121.76 120.82 3gut s ALA 188 Ca -0.27 0.01 0.03 0.00 0.00 0.00 0.00 51.96 51.73 3gut s ALA 188 Cb 0.04 -3.76 0.17 0.00 0.00 0.00 0.00 23.12 19.57 3gut s ALA 188 CO 0.40 -1.74 0.91 -2.30 0.00 0.00 0.00 175.76 173.03 3gut n PRO 189 N 7.25 0.02 0.00 0.00 -0.02 -1.26 -2.46 135.00 138.53 3gut n PRO 189 Ca 0.14 0.36 0.08 0.00 -2.02 0.00 0.00 63.50 62.06 3gut n PRO 189 Cb 0.47 -1.81 0.42 0.00 -0.02 0.00 0.00 33.50 32.57 3gut n PRO 189 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3gut n ASN 190 N -1.48 0.00 0.00 2.55 0.23 -1.26 -3.86 115.26 111.44 3gut n ASN 190 Ca -0.00 0.10 0.00 0.00 -0.53 0.00 0.00 54.58 54.15 3gut n ASN 190 Cb 0.24 -0.31 0.00 0.00 -2.08 0.00 0.00 39.78 37.62 3gut n ASN 190 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3gut n THR 191 N -1.31 0.00 -0.79 5.53 -2.24 -1.03 -5.11 114.28 109.33 3gut n THR 191 Ca 0.08 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.60 3gut n THR 191 Cb 0.15 -0.19 0.02 0.00 -2.10 0.00 0.00 70.33 68.21 3gut n THR 191 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gut n ALA 192 N -0.78 -2.85 -2.07 6.98 0.00 -1.24 -4.91 120.51 115.64 3gut n ALA 192 Ca 0.00 -0.91 -0.40 0.00 0.00 0.00 0.00 53.44 52.13 3gut n ALA 192 Cb 0.10 -0.51 -0.05 0.00 0.00 0.00 0.00 19.45 18.98 3gut n ALA 192 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3gut s GLU 193 N -1.67 4.65 -0.39 0.00 2.12 -1.26 -5.03 118.70 117.12 3gut s GLU 193 Ca 0.23 1.28 -0.22 0.00 0.36 0.00 0.00 54.97 56.62 3gut s GLU 193 Cb 0.07 -3.31 0.01 0.00 0.26 0.00 0.00 34.13 31.16 3gut s GLU 193 CO 0.43 0.43 0.75 -0.51 -0.54 0.00 0.00 175.26 175.81 3gut s LEU 194 N -0.70 4.20 -0.02 2.70 1.02 -1.26 -4.88 118.68 119.74 3gut s LEU 194 Ca 0.40 0.17 0.04 0.00 0.02 0.00 0.00 54.13 54.75 3gut s LEU 194 Cb -0.23 -2.95 -0.01 0.00 0.02 0.00 0.00 46.19 43.02 3gut s LEU 194 CO 0.28 -0.75 -0.13 -0.75 0.02 0.00 0.00 176.35 175.02 3gut s LYS 195 N 3.05 1.13 -0.45 1.70 2.20 -1.26 -4.22 119.74 121.88 3gut s LYS 195 Ca 0.29 -0.45 -0.15 0.00 -0.36 0.00 0.00 55.97 55.30 3gut s LYS 195 Cb -0.13 -1.06 0.06 0.00 -1.51 0.00 0.00 37.83 35.19 3gut s LYS 195 CO 0.18 0.24 0.36 0.42 -0.36 0.00 0.00 175.35 176.19 3gut s ILE 196 N -0.17 5.16 -0.13 5.43 1.01 -1.26 -2.32 121.20 128.93 3gut s ILE 196 Ca 0.02 -0.99 -0.25 0.00 0.00 0.00 0.00 60.65 59.43 3gut s ILE 196 Cb -0.06 -4.04 -0.26 0.00 0.01 0.00 0.00 42.46 38.11 3gut s ILE 196 CO -0.00 -0.51 0.70 0.00 0.00 0.00 0.00 174.94 175.13 3gut s ARG 198 N -2.30 0.51 -0.08 0.00 1.81 -1.00 -4.96 118.95 112.93 3gut s ARG 198 Ca -0.19 -0.90 -0.03 0.00 -1.72 0.00 0.00 55.73 52.89 3gut s ARG 198 Cb -0.00 0.19 0.04 0.00 -0.45 0.00 0.00 34.95 34.73 3gut s ARG 198 CO 0.71 -0.10 0.16 0.08 -0.68 0.00 0.00 175.30 175.47 3gut s VAL 199 N -2.78 -0.19 -1.34 3.52 1.01 -1.26 -1.29 120.40 118.07 3gut s VAL 199 Ca -0.04 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.23 3gut s VAL 199 Cb -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 36.10 3gut s VAL 199 CO -0.06 0.12 0.59 -0.46 0.00 0.00 0.00 175.10 175.29 3gut n ASN 200 N 4.92 0.58 0.00 3.32 6.94 -1.00 -4.73 115.26 125.29 3gut n ASN 200 Ca -0.13 -1.76 0.00 0.00 -0.02 0.00 0.00 54.58 52.68 3gut n ASN 200 Cb 0.50 -0.29 0.00 0.00 -2.36 0.00 0.00 39.78 37.63 3gut n ASN 200 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 3gut n ARG 201 N -0.13 0.00 -0.92 -3.83 0.63 -1.26 -4.92 116.66 106.22 3gut n ARG 201 Ca 0.00 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 56.98 3gut n ARG 201 Cb 0.15 0.00 0.08 0.00 0.45 0.00 0.00 32.46 33.14 3gut n ARG 201 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 3gut n ASN 202 N 0.00 1.18 -3.74 6.15 2.04 -1.26 -4.98 115.26 114.65 3gut n ASN 202 Ca 0.00 -2.66 -0.13 0.00 -0.44 0.00 0.00 54.58 51.35 3gut n ASN 202 Cb 0.00 -0.36 -0.10 0.00 -2.53 0.00 0.00 39.78 36.78 3gut n ASN 202 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 3gut s SER 203 N -2.28 -0.40 -0.02 0.53 0.15 -1.26 -1.44 113.70 108.98 3gut s SER 203 Ca 0.29 0.76 -0.30 0.00 0.70 0.00 0.00 55.95 57.40 3gut s SER 203 Cb 0.31 0.75 0.11 0.00 -1.71 0.00 0.00 66.02 65.48 3gut s SER 203 CO -0.09 -0.14 1.05 -0.83 1.20 0.00 0.00 173.24 174.43 3gut s GLY 204 N 0.35 -0.37 0.83 9.45 0.00 -0.98 -4.97 107.32 111.64 3gut s GLY 204 Ca -0.01 0.95 -0.16 0.00 0.00 0.00 0.00 44.72 45.50 3gut s GLY 204 CO -0.01 0.29 0.02 -1.26 0.00 0.00 0.00 173.10 172.14 3gut n SER 205 N -0.29 -3.18 0.13 1.64 2.88 -1.26 -1.17 113.62 112.38 3gut n SER 205 Ca -0.06 0.41 0.03 0.00 -1.33 0.00 0.00 58.87 57.92 3gut n SER 205 Cb 0.61 -1.03 0.02 0.00 -0.75 0.00 0.00 64.21 63.06 3gut n SER 205 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gut n LEU 207 N -3.17 0.00 0.00 0.00 4.77 -1.26 0.17 117.00 117.51 3gut n LEU 207 Ca 0.01 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 3gut n LEU 207 Cb 0.73 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3gut n LEU 207 CO 0.40 -0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 3gut n GLY 208 N 0.07 -0.53 2.09 -0.72 0.00 -1.16 -4.25 105.19 100.69 3gut n GLY 208 Ca 0.06 -1.12 -0.03 0.00 0.00 0.00 0.00 46.02 44.93 3gut n GLY 208 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gut n GLY 209 N 0.00 0.57 3.85 -0.02 0.00 0.18 -4.79 105.19 104.97 3gut n GLY 209 Ca 0.00 -0.89 -0.37 0.00 0.00 0.00 0.00 46.02 44.75 3gut n GLY 209 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gut s ASP 210 N -2.95 6.74 -0.08 1.61 1.01 -1.26 -4.69 116.67 117.05 3gut s ASP 210 Ca 0.00 0.88 -0.28 0.00 0.71 0.00 0.00 52.55 53.86 3gut s ASP 210 Cb 0.00 -2.22 -0.02 0.00 1.01 0.00 0.00 42.92 41.69 3gut s ASP 210 CO 0.00 0.32 0.92 -0.70 0.21 0.00 0.00 175.17 175.92 3gut s GLU 211 N -1.17 4.44 -0.13 8.23 2.12 -1.26 -0.84 118.70 130.09 3gut s GLU 211 Ca 0.24 1.26 -0.01 0.00 0.36 0.00 0.00 54.97 56.82 3gut s GLU 211 Cb -0.16 -3.51 0.03 0.00 0.26 0.00 0.00 34.13 30.75 3gut s GLU 211 CO 0.13 -0.19 -0.05 0.42 -0.54 0.00 0.00 175.26 175.02 3gut s ILE 212 N 1.60 0.95 0.02 -3.70 -1.09 0.24 -4.94 121.20 114.29 3gut s ILE 212 Ca 0.46 -0.36 -0.17 0.00 -2.23 0.00 0.00 60.65 58.36 3gut s ILE 212 Cb -0.19 -1.06 -0.06 0.00 -1.58 0.00 0.00 42.46 39.58 3gut s ILE 212 CO 0.20 0.25 0.47 -0.36 -1.23 0.00 0.00 174.94 174.27 3gut s PHE 213 N 1.72 3.75 -0.14 3.97 0.40 -1.26 -0.68 117.98 125.75 3gut s PHE 213 Ca 0.03 1.10 -0.06 0.00 -0.60 0.00 0.00 56.93 57.41 3gut s PHE 213 Cb -0.14 -2.38 0.06 0.00 0.51 0.00 0.00 43.02 41.08 3gut s PHE 213 CO -0.08 0.61 0.31 -1.17 0.70 0.00 0.00 175.22 175.58 3gut s LEU 214 N -1.03 -0.18 0.04 -0.37 0.20 -0.13 -2.37 118.68 114.85 3gut s LEU 214 Ca 0.26 0.69 -0.09 0.00 0.69 0.00 0.00 54.13 55.68 3gut s LEU 214 Cb -0.18 0.91 -0.05 0.00 -0.43 0.00 0.00 46.19 46.44 3gut s LEU 214 CO 0.15 -0.22 0.34 -0.76 -0.29 0.00 0.00 176.35 175.58 3gut s LEU 215 N 2.07 4.36 0.37 -0.68 1.43 -0.41 -0.73 118.68 125.09 3gut s LEU 215 Ca -0.03 0.69 -0.14 0.00 -1.03 0.00 0.00 54.13 53.62 3gut s LEU 215 Cb -0.11 -2.82 0.04 0.00 0.03 0.00 0.00 46.19 43.33 3gut s LEU 215 CO -0.10 0.22 0.73 0.00 0.23 0.00 0.00 176.35 177.43 3gut s ASP 217 N -3.09 6.32 -0.02 0.00 1.11 -0.98 -4.49 116.67 115.52 3gut s ASP 217 Ca 0.18 1.78 -0.31 0.00 0.18 0.00 0.00 52.55 54.37 3gut s ASP 217 Cb -0.04 -2.54 -0.15 0.00 1.07 0.00 0.00 42.92 41.26 3gut s ASP 217 CO 0.13 -0.80 0.84 0.29 1.18 0.00 0.00 175.17 176.81 3gut n LYS 218 N -1.40 0.00 -4.24 8.23 5.02 -1.24 -4.76 118.16 119.77 3gut n LYS 218 Ca 0.08 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.24 3gut n LYS 218 Cb 0.53 -1.15 -0.10 0.00 -0.02 0.00 0.00 35.03 34.29 3gut n LYS 218 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3gut s VAL 219 N 0.11 0.42 -0.13 -0.18 -7.23 -0.41 -4.96 120.40 108.02 3gut s VAL 219 Ca 0.70 -1.97 -0.07 0.00 -1.81 0.00 0.00 61.98 58.83 3gut s VAL 219 Cb -0.99 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 33.60 3gut s VAL 219 CO 0.45 -0.27 0.11 -1.10 -0.31 0.00 0.00 175.10 173.98 3gut s GLN 220 N -4.01 3.55 0.42 4.82 -1.52 -1.26 -4.59 119.66 117.07 3gut s GLN 220 Ca 0.30 -0.22 0.20 0.00 -1.95 0.00 0.00 55.36 53.70 3gut s GLN 220 Cb 0.07 -3.16 0.93 0.00 -0.22 0.00 0.00 33.01 30.63 3gut s GLN 220 CO 0.07 0.63 1.86 1.57 -0.25 0.00 0.00 175.29 179.17 3gut h LYS 221 N 5.50 0.00 -0.01 2.91 2.10 -1.95 -2.85 116.57 122.28 3gut h LYS 221 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 3gut h LYS 221 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 3gut h LYS 221 CO 0.62 0.29 -0.12 0.39 -2.00 0.00 0.00 179.45 178.62 3gut n GLU 222 N -3.67 0.81 -3.03 0.07 4.71 -1.26 -4.13 120.64 114.14 3gut n GLU 222 Ca -0.01 -0.33 -0.16 0.00 -0.01 0.00 0.00 57.16 56.65 3gut n GLU 222 Cb 0.40 -1.49 -0.01 0.00 -1.01 0.00 0.00 31.44 29.32 3gut n GLU 222 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 3gut n ASP 223 N -0.81 1.25 -3.63 1.62 2.03 -1.08 -5.04 116.55 110.89 3gut n ASP 223 Ca 0.15 -2.98 -0.15 0.00 0.52 0.00 0.00 54.79 52.33 3gut n ASP 223 Cb 0.29 -0.59 -0.07 0.00 -0.72 0.00 0.00 41.12 40.02 3gut n ASP 223 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3gut s ILE 224 N -2.77 0.01 -0.01 5.18 1.10 -1.23 -4.51 121.20 118.96 3gut s ILE 224 Ca 0.37 -0.04 -0.29 0.00 -0.51 0.00 0.00 60.65 60.18 3gut s ILE 224 Cb 0.38 -0.88 0.08 0.00 0.15 0.00 0.00 42.46 42.18 3gut s ILE 224 CO -0.05 -0.02 0.71 -1.83 -2.11 0.00 0.00 174.94 171.63 3gut s GLU 225 N -0.25 1.04 -0.60 3.50 -1.05 -0.74 -5.01 118.70 115.61 3gut s GLU 225 Ca -0.04 0.04 -0.21 0.00 -0.15 0.00 0.00 54.97 54.60 3gut s GLU 225 Cb -0.03 0.49 0.08 0.00 -0.44 0.00 0.00 34.13 34.22 3gut s GLU 225 CO 0.04 -0.37 0.81 0.08 0.95 0.00 0.00 175.26 176.76 3gut s VAL 226 N -1.92 4.61 -0.64 1.83 1.01 -1.26 -0.99 120.40 123.04 3gut s VAL 226 Ca -0.06 -0.54 -0.26 0.00 0.00 0.00 0.00 61.98 61.12 3gut s VAL 226 Cb -0.00 -4.53 0.04 0.00 0.00 0.00 0.00 36.38 31.89 3gut s VAL 226 CO 0.02 -1.18 1.13 -0.47 0.00 0.00 0.00 175.10 174.60 3gut s TYR 227 N 3.30 2.55 -0.77 5.22 5.04 0.84 -1.83 117.35 131.70 3gut s TYR 227 Ca 0.18 0.01 -0.20 0.00 -2.44 0.00 0.00 57.07 54.61 3gut s TYR 227 Cb -0.19 -4.42 0.10 0.00 0.35 0.00 0.00 41.96 37.80 3gut s TYR 227 CO 0.10 -1.71 0.99 -0.06 -1.34 0.00 0.00 175.55 173.53 3gut s PHE 228 N 4.86 2.93 0.08 4.97 0.40 -1.03 -1.09 117.98 129.09 3gut s PHE 228 Ca 0.34 -1.00 -0.04 0.00 -0.60 0.00 0.00 56.93 55.63 3gut s PHE 228 Cb -0.10 -4.24 -0.05 0.00 0.51 0.00 0.00 43.02 39.14 3gut s PHE 228 CO 0.18 -1.52 0.30 -0.08 0.70 0.00 0.00 175.22 174.80 3gut s THR 229 N 3.19 5.27 0.00 0.64 -1.32 0.25 -2.19 115.64 121.48 3gut s THR 229 Ca 0.25 -0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.69 3gut s THR 229 Cb -0.13 -3.61 0.00 0.00 -1.51 0.00 0.00 72.50 67.25 3gut s THR 229 CO 0.01 0.17 0.00 0.61 -2.21 0.00 0.00 174.62 173.20 3gut n GLY 230 N 0.47 3.46 3.57 6.08 0.00 -1.18 0.97 105.19 118.55 3gut n GLY 230 Ca -0.06 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.16 3gut n GLY 230 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gut s PRO 231 N -1.56 3.27 -0.52 1.61 0.04 -1.26 -3.37 135.00 133.21 3gut s PRO 231 Ca 0.00 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.36 3gut s PRO 231 Cb 0.00 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.41 3gut s PRO 231 CO 0.00 -1.99 0.00 0.41 0.04 0.00 0.00 177.00 175.46 3gut n GLY 232 N 5.28 0.66 3.54 0.56 0.00 -1.26 -4.98 105.19 108.98 3gut n GLY 232 Ca 0.11 -0.19 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 3gut n GLY 232 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3gut s TRP 233 N -1.83 2.36 -0.30 1.61 -0.00 -1.22 -5.15 118.94 114.41 3gut s TRP 233 Ca 0.00 -0.54 -0.19 0.00 -0.00 0.00 0.00 56.10 55.37 3gut s TRP 233 Cb 0.00 -1.39 0.19 0.00 -0.00 0.00 0.00 33.47 32.27 3gut s TRP 233 CO 0.00 0.54 1.24 -2.00 -0.00 0.00 0.00 176.95 176.73 3gut s GLU 234 N -3.63 0.07 0.22 5.86 2.12 -1.26 -3.10 118.70 118.97 3gut s GLU 234 Ca 0.32 0.18 0.04 0.00 0.36 0.00 0.00 54.97 55.87 3gut s GLU 234 Cb 0.03 0.11 -0.01 0.00 0.26 0.00 0.00 34.13 34.52 3gut s GLU 234 CO 0.16 -0.03 0.13 0.00 -0.54 0.00 0.00 175.26 174.99 3gut n ALA 235 N 4.60 0.39 -2.96 6.30 0.00 -0.93 -5.04 120.51 122.86 3gut n ALA 235 Ca -0.07 -1.18 -0.10 0.00 0.00 0.00 0.00 53.44 52.09 3gut n ALA 235 Cb 0.55 0.89 -0.10 0.00 0.00 0.00 0.00 19.45 20.78 3gut n ALA 235 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3gut s ARG 236 N -2.85 0.40 0.47 0.00 0.52 -1.26 -2.48 118.95 113.75 3gut s ARG 236 Ca 0.19 -0.58 -0.20 0.00 -0.52 0.00 0.00 55.73 54.62 3gut s ARG 236 Cb 0.01 0.15 -0.09 0.00 0.52 0.00 0.00 34.95 35.54 3gut s ARG 236 CO 0.13 -0.08 1.00 0.20 0.02 0.00 0.00 175.30 176.57 3gut s GLY 237 N -1.55 2.42 -0.35 -3.53 0.00 -0.76 -3.98 107.32 99.56 3gut s GLY 237 Ca -0.14 0.49 -0.15 0.00 0.00 0.00 0.00 44.72 44.92 3gut s GLY 237 CO -0.01 0.78 0.34 -0.56 0.00 0.00 0.00 173.10 173.66 3gut s SER 238 N -2.16 6.15 0.00 1.64 0.01 -0.24 -4.74 113.70 114.36 3gut s SER 238 Ca 0.64 -0.34 -0.28 0.00 1.31 0.00 0.00 55.95 57.28 3gut s SER 238 Cb -0.13 -2.19 0.10 0.00 0.21 0.00 0.00 66.02 64.01 3gut s SER 238 CO 0.18 -0.34 0.83 0.72 0.41 0.00 0.00 173.24 175.04 3gut s PHE 239 N 1.95 -0.41 0.15 2.43 -0.71 -1.26 -2.17 117.98 117.95 3gut s PHE 239 Ca 0.10 0.36 -0.04 0.00 -1.04 0.00 0.00 56.93 56.31 3gut s PHE 239 Cb -0.17 0.52 -0.05 0.00 -1.21 0.00 0.00 43.02 42.11 3gut s PHE 239 CO 0.11 -0.58 0.37 -1.12 -1.34 0.00 0.00 175.22 172.66 3gut s SER 240 N -2.26 6.47 0.65 1.98 0.01 -1.26 -4.96 113.70 114.33 3gut s SER 240 Ca 0.02 0.56 0.28 0.00 1.31 0.00 0.00 55.95 58.12 3gut s SER 240 Cb -0.01 -2.08 1.49 0.00 0.21 0.00 0.00 66.02 65.64 3gut s SER 240 CO -0.07 0.04 1.86 1.56 0.41 0.00 0.00 173.24 177.04 3gut h GLN 241 N 2.73 0.00 0.00 12.44 4.20 -1.98 0.97 115.11 133.47 3gut h GLN 241 Ca -0.46 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.13 3gut h GLN 241 Cb 1.17 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.93 3gut h GLN 241 CO 0.72 0.00 -0.60 0.00 -0.67 0.00 0.00 178.83 178.28 3gut h ALA 242 N 1.28 0.63 0.00 3.87 0.00 -1.95 -3.14 119.26 119.95 3gut h ALA 242 Ca 0.05 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3gut h ALA 242 Cb 0.88 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3gut h ALA 242 CO -0.00 0.72 0.00 -0.25 0.00 0.00 0.00 179.25 179.72 3gut n ASP 243 N -3.23 0.00 -4.41 0.00 8.00 0.34 -4.48 116.55 112.76 3gut n ASP 243 Ca 0.01 -1.06 -0.44 0.00 0.71 0.00 0.00 54.79 54.01 3gut n ASP 243 Cb 0.77 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.82 3gut n ASP 243 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3gut s VAL 244 N -2.00 4.65 -0.17 2.53 1.01 -1.19 -2.54 120.40 122.68 3gut s VAL 244 Ca 0.30 -0.67 -0.25 0.00 0.00 0.00 0.00 61.98 61.36 3gut s VAL 244 Cb 0.14 -4.53 -0.01 0.00 0.00 0.00 0.00 36.38 31.97 3gut s VAL 244 CO 0.23 -1.19 0.83 -2.28 0.00 0.00 0.00 175.10 172.69 3gut s HIS 245 N 3.18 3.42 0.00 5.22 2.46 -0.34 -4.38 115.29 124.85 3gut s HIS 245 Ca 0.16 1.26 0.00 0.00 0.47 0.00 0.00 55.06 56.95 3gut s HIS 245 Cb -0.21 -3.02 0.00 0.00 -0.13 0.00 0.00 32.58 29.23 3gut s HIS 245 CO 0.09 -0.24 0.00 0.54 -2.47 0.00 0.00 174.74 172.66 3gut n ARG 246 N 5.23 -1.98 -0.89 2.88 3.00 -1.26 -0.24 116.66 123.38 3gut n ARG 246 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.88 3gut n ARG 246 Cb 0.49 -3.21 0.00 0.00 0.00 0.00 0.00 32.46 29.74 3gut n ARG 246 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 3gut n GLN 247 N -1.53 -0.08 0.00 5.56 6.02 -1.26 -4.83 117.38 121.26 3gut n GLN 247 Ca 0.00 0.02 0.01 0.00 -0.01 0.00 0.00 57.00 57.02 3gut n GLN 247 Cb 0.26 -3.07 -0.01 0.00 1.02 0.00 0.00 30.24 28.44 3gut n GLN 247 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 3gut n VAL 248 N -2.11 0.00 -4.02 5.09 0.24 0.66 -1.29 118.33 116.90 3gut n VAL 248 Ca 0.00 -0.45 -0.11 0.00 -2.04 0.00 0.00 64.34 61.74 3gut n VAL 248 Cb 0.02 1.01 -0.11 0.00 -1.47 0.00 0.00 33.84 33.28 3gut n VAL 248 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gut s ALA 249 N -1.13 0.32 -0.03 2.33 0.00 -0.80 0.10 121.76 122.56 3gut s ALA 249 Ca 0.01 -0.67 0.03 0.00 0.00 0.00 0.00 51.96 51.34 3gut s ALA 249 Cb 0.02 0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.24 3gut s ALA 249 CO 0.10 -0.10 -0.12 0.42 0.00 0.00 0.00 175.76 176.06 3gut s ILE 250 N -1.43 1.01 -0.30 0.00 -1.09 0.09 -1.20 121.20 118.29 3gut s ILE 250 Ca -0.13 -0.50 0.03 0.00 -2.23 0.00 0.00 60.65 57.82 3gut s ILE 250 Cb -0.10 -0.87 0.08 0.00 -1.58 0.00 0.00 42.46 39.99 3gut s ILE 250 CO -0.00 0.30 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.30 3gut s VAL 251 N 0.02 2.06 0.34 2.92 1.01 -1.05 -0.95 120.40 124.75 3gut s VAL 251 Ca -0.01 -1.91 0.02 0.00 0.00 0.00 0.00 61.98 60.08 3gut s VAL 251 Cb -0.08 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 3gut s VAL 251 CO 0.01 -0.35 0.08 2.22 0.00 0.00 0.00 175.10 177.06 3gut n PHE 252 N 4.40 0.33 -4.41 5.22 -1.74 0.15 -4.83 117.46 116.59 3gut n PHE 252 Ca -0.05 -2.03 -0.27 0.00 -0.56 0.00 0.00 57.45 54.54 3gut n PHE 252 Cb 0.42 -0.08 -0.12 0.00 1.52 0.00 0.00 39.48 41.23 3gut n PHE 252 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 3gut s ARG 253 N -3.28 1.47 -0.46 3.97 0.52 -0.92 0.82 118.95 121.06 3gut s ARG 253 Ca 0.12 -1.46 -0.27 0.00 -0.52 0.00 0.00 55.73 53.60 3gut s ARG 253 Cb 0.01 -1.84 0.03 0.00 0.52 0.00 0.00 34.95 33.66 3gut s ARG 253 CO 0.08 0.41 1.00 0.95 0.02 0.00 0.00 175.30 177.76 3gut s THR 254 N -1.48 4.39 1.02 0.02 -4.23 -0.02 -1.08 115.64 114.26 3gut s THR 254 Ca 0.18 0.97 -0.18 0.00 -1.18 0.00 0.00 61.69 61.48 3gut s THR 254 Cb -0.09 -4.48 -0.03 0.00 1.34 0.00 0.00 72.50 69.24 3gut s THR 254 CO 0.08 -0.86 -0.37 -0.81 -0.54 0.00 0.00 174.62 172.12 3gut n PRO 255 N 7.36 -0.53 -3.16 3.99 -0.04 -1.26 0.49 135.00 141.85 3gut n PRO 255 Ca 0.08 -0.14 -0.36 0.00 -0.04 0.00 0.00 63.50 63.04 3gut n PRO 255 Cb 0.49 -1.45 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 3gut n PRO 255 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 3gut s PRO 256 N -2.89 4.20 0.76 0.54 0.02 -1.26 -3.87 135.00 132.51 3gut s PRO 256 Ca 0.49 0.79 -0.11 0.00 0.02 0.00 0.00 61.00 62.19 3gut s PRO 256 Cb -0.12 -2.92 0.05 0.00 0.02 0.00 0.00 34.50 31.53 3gut s PRO 256 CO 0.70 0.43 1.08 -0.47 -0.33 0.00 0.00 177.00 178.42 3gut s TYR 257 N -1.48 2.70 0.20 6.54 5.04 0.45 -4.89 117.35 125.91 3gut s TYR 257 Ca 0.41 1.50 -0.11 0.00 -2.44 0.00 0.00 57.07 56.43 3gut s TYR 257 Cb -0.17 -3.01 0.23 0.00 0.35 0.00 0.00 41.96 39.36 3gut s TYR 257 CO 0.21 -1.69 1.74 0.00 -1.34 0.00 0.00 175.55 174.46 3gut h ALA 258 N -1.05 0.68 -2.30 3.97 0.00 -1.97 -3.36 119.26 115.23 3gut h ALA 258 Ca -0.44 0.09 -0.69 0.00 0.00 0.00 0.00 54.91 53.86 3gut h ALA 258 Cb 1.23 0.08 -0.19 0.00 0.00 0.00 0.00 17.79 18.91 3gut h ALA 258 CO 0.53 -0.23 -0.15 0.34 0.00 0.00 0.00 179.25 179.74 3gut s ASP 259 N -5.37 6.20 0.00 0.00 2.15 -1.26 -4.91 116.67 113.49 3gut s ASP 259 Ca -0.13 -0.77 0.28 0.00 0.43 0.00 0.00 52.55 52.36 3gut s ASP 259 Cb 0.16 -2.24 1.35 0.00 -0.30 0.00 0.00 42.92 41.89 3gut s ASP 259 CO 0.74 -0.66 1.91 -0.81 -0.17 0.00 0.00 175.17 176.17 3gut n PRO 260 N 5.71 1.37 -0.30 4.34 -0.04 -1.26 -3.51 135.00 141.31 3gut n PRO 260 Ca -0.07 -0.54 0.08 0.00 -0.04 0.00 0.00 63.50 62.93 3gut n PRO 260 Cb 0.47 -1.46 0.17 0.00 -0.04 0.00 0.00 33.50 32.63 3gut n PRO 260 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3gut n SER 261 N -0.32 2.05 -4.53 3.54 7.64 -1.26 -4.84 113.62 115.88 3gut n SER 261 Ca 0.20 -3.40 -0.51 0.00 1.01 0.00 0.00 58.87 56.18 3gut n SER 261 Cb 0.24 -0.47 -0.05 0.00 -1.01 0.00 0.00 64.21 62.92 3gut n SER 261 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3gut n LEU 262 N -1.27 0.78 -0.12 -3.43 7.94 -1.23 -4.89 117.00 114.78 3gut n LEU 262 Ca 0.17 1.14 -0.17 0.00 -1.11 0.00 0.00 56.01 56.04 3gut n LEU 262 Cb 0.67 -1.11 -0.12 0.00 0.53 0.00 0.00 43.42 43.39 3gut n LEU 262 CO -0.01 -1.68 -1.31 1.67 -1.11 0.00 0.00 177.39 174.95 3gut n GLN 263 N 1.61 0.64 -4.36 1.96 -0.06 -1.26 -4.43 117.38 111.49 3gut n GLN 263 Ca 0.17 0.13 -0.28 0.00 -2.00 0.00 0.00 57.00 55.02 3gut n GLN 263 Cb 0.21 -1.50 -0.11 0.00 -4.06 0.00 0.00 30.24 24.77 3gut n GLN 263 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3gut s ALA 264 N -2.50 2.64 0.44 1.69 0.00 -1.26 -4.80 121.76 117.97 3gut s ALA 264 Ca -0.32 -1.50 -0.26 0.00 0.00 0.00 0.00 51.96 49.88 3gut s ALA 264 Cb 0.08 -0.51 -0.09 0.00 0.00 0.00 0.00 23.12 22.61 3gut s ALA 264 CO 0.60 0.50 1.43 -2.14 0.00 0.00 0.00 175.76 176.15 3gut s PRO 265 N -2.46 3.74 -0.05 0.00 0.02 -1.26 -4.80 135.00 130.18 3gut s PRO 265 Ca 0.20 2.43 0.01 0.00 0.02 0.00 0.00 61.00 63.66 3gut s PRO 265 Cb -0.09 -2.69 0.02 0.00 0.02 0.00 0.00 34.50 31.75 3gut s PRO 265 CO 0.10 -0.78 -0.07 0.54 -0.33 0.00 0.00 177.00 176.47 3gut s VAL 266 N -1.19 0.70 0.34 3.83 0.11 -1.14 -5.01 120.40 118.04 3gut s VAL 266 Ca 0.60 -0.22 -0.27 0.00 -2.93 0.00 0.00 61.98 59.16 3gut s VAL 266 Cb -0.44 -0.69 -0.09 0.00 -1.53 0.00 0.00 36.38 33.62 3gut s VAL 266 CO 0.57 0.26 1.06 -0.13 -3.33 0.00 0.00 175.10 173.53 3gut s ARG 267 N 0.83 4.41 0.00 1.54 1.81 -1.26 -1.84 118.95 124.43 3gut s ARG 267 Ca -0.12 1.62 -0.10 0.00 -1.72 0.00 0.00 55.73 55.40 3gut s ARG 267 Cb -0.15 -2.85 0.01 0.00 -0.45 0.00 0.00 34.95 31.51 3gut s ARG 267 CO 0.01 0.05 0.21 0.08 -0.68 0.00 0.00 175.30 174.97 3gut s VAL 268 N -1.43 0.08 0.21 3.52 1.01 0.40 -4.95 120.40 119.24 3gut s VAL 268 Ca 0.51 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 3gut s VAL 268 Cb -0.26 -0.56 -0.08 0.00 0.00 0.00 0.00 36.38 35.48 3gut s VAL 268 CO 0.33 -0.35 0.93 -0.55 0.00 0.00 0.00 175.10 175.46 3gut s SER 269 N -1.46 7.61 -0.04 3.32 0.15 0.27 -0.53 113.70 123.02 3gut s SER 269 Ca -0.13 1.90 0.00 0.00 0.70 0.00 0.00 55.95 58.42 3gut s SER 269 Cb -0.06 -2.60 0.03 0.00 -1.71 0.00 0.00 66.02 61.68 3gut s SER 269 CO 0.02 0.12 -0.01 -0.32 1.20 0.00 0.00 173.24 174.25 3gut s MET 270 N -0.96 0.41 0.13 5.44 0.00 -1.05 0.86 119.30 124.13 3gut s MET 270 Ca 0.42 0.05 -0.22 0.00 0.00 0.00 0.00 55.69 55.94 3gut s MET 270 Cb -0.25 -0.59 0.06 0.00 0.00 0.00 0.00 34.83 34.05 3gut s MET 270 CO 0.31 -0.14 0.55 1.14 0.00 0.00 0.00 175.02 176.88 3gut s GLN 271 N 1.10 1.20 0.16 4.11 -2.07 -0.25 -0.93 119.66 122.98 3gut s GLN 271 Ca -0.09 -0.47 -0.30 0.00 -1.82 0.00 0.00 55.36 52.69 3gut s GLN 271 Cb -0.14 0.55 -0.07 0.00 -1.09 0.00 0.00 33.01 32.26 3gut s GLN 271 CO -0.02 -0.50 0.99 -0.51 -1.32 0.00 0.00 175.29 173.93 3gut s LEU 272 N -2.61 4.53 -0.06 2.60 1.02 -1.26 -0.11 118.68 122.79 3gut s LEU 272 Ca 0.00 1.90 0.02 0.00 0.02 0.00 0.00 54.13 56.07 3gut s LEU 272 Cb -0.00 -3.60 0.01 0.00 0.02 0.00 0.00 46.19 42.62 3gut s LEU 272 CO -0.11 -0.05 -0.12 -0.60 0.02 0.00 0.00 176.35 175.50 3gut s ARG 273 N -0.38 1.60 -0.37 1.70 3.52 -0.16 -0.79 118.95 124.06 3gut s ARG 273 Ca 0.46 -0.40 -0.11 0.00 -0.13 0.00 0.00 55.73 55.56 3gut s ARG 273 Cb -0.25 -1.34 0.03 0.00 -1.56 0.00 0.00 34.95 31.83 3gut s ARG 273 CO 0.32 0.04 0.20 0.50 -0.81 0.00 0.00 175.30 175.55 3gut s ARG 274 N 0.61 2.80 0.17 5.12 3.52 -0.63 -1.78 118.95 128.76 3gut s ARG 274 Ca -0.13 -1.10 -0.14 0.00 -0.13 0.00 0.00 55.73 54.23 3gut s ARG 274 Cb -0.15 -3.72 0.13 0.00 -1.56 0.00 0.00 34.95 29.65 3gut s ARG 274 CO 0.03 -0.71 1.74 -1.35 -0.81 0.00 0.00 175.30 174.21 3gut h PRO 275 N 8.43 0.28 0.00 5.12 0.11 -1.87 0.41 132.00 144.48 3gut h PRO 275 Ca -0.25 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3gut h PRO 275 Cb 1.10 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3gut h PRO 275 CO 0.67 0.19 0.07 -1.13 -0.21 0.00 0.00 178.00 177.58 3gut n SER 276 N -5.04 0.06 -0.20 -2.05 3.41 -1.26 -2.95 113.62 105.60 3gut n SER 276 Ca 0.04 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 3gut n SER 276 Cb 0.18 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 3gut n SER 276 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3gut n ASP 277 N -1.53 0.00 0.00 4.04 5.68 -1.10 -5.02 116.55 118.62 3gut n ASP 277 Ca -0.00 -1.11 0.00 0.00 -0.50 0.00 0.00 54.79 53.18 3gut n ASP 277 Cb 0.07 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 3gut n ASP 277 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3gut n ARG 278 N 0.00 0.00 -1.36 0.11 1.74 0.14 -4.93 116.66 112.37 3gut n ARG 278 Ca 0.00 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 3gut n ARG 278 Cb 0.52 -4.01 -0.00 0.00 -1.02 0.00 0.00 32.46 27.94 3gut n ARG 278 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3gut n GLU 279 N -2.00 0.18 -4.00 5.56 4.07 -1.12 -4.62 120.64 118.70 3gut n GLU 279 Ca 0.00 0.06 -0.14 0.00 -0.06 0.00 0.00 57.16 57.03 3gut n GLU 279 Cb 0.00 -1.15 -0.14 0.00 -0.06 0.00 0.00 31.44 30.08 3gut n GLU 279 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 3gut s LEU 280 N 3.38 1.97 1.00 4.31 1.43 -1.26 -1.60 118.68 127.91 3gut s LEU 280 Ca 0.61 -0.04 -0.17 0.00 -1.03 0.00 0.00 54.13 53.50 3gut s LEU 280 Cb -0.67 -0.13 0.22 0.00 0.03 0.00 0.00 46.19 45.64 3gut s LEU 280 CO 0.60 0.03 1.32 -0.94 0.23 0.00 0.00 176.35 177.59 3gut s SER 281 N -0.02 2.76 0.00 2.29 1.04 0.03 -4.93 113.70 114.87 3gut s SER 281 Ca 0.01 0.25 -0.30 0.00 0.48 0.00 0.00 55.95 56.39 3gut s SER 281 Cb -0.01 -0.27 -0.05 0.00 0.10 0.00 0.00 66.02 65.78 3gut s SER 281 CO -0.00 -2.95 1.30 -0.70 0.98 0.00 0.00 173.24 171.86 3gut s GLU 282 N -5.88 4.33 0.82 4.02 2.12 -1.26 -4.65 118.70 118.20 3gut s GLU 282 Ca 0.75 1.85 -0.14 0.00 0.36 0.00 0.00 54.97 57.78 3gut s GLU 282 Cb -0.04 -3.50 0.02 0.00 0.26 0.00 0.00 34.13 30.87 3gut s GLU 282 CO 0.54 -0.47 0.67 -0.35 -0.54 0.00 0.00 175.26 175.11 3gut n PRO 283 N 4.96 0.07 -4.30 4.30 -0.04 -1.26 -4.81 135.00 133.91 3gut n PRO 283 Ca 0.12 0.08 -0.21 0.00 -0.04 0.00 0.00 63.50 63.44 3gut n PRO 283 Cb 0.45 -2.00 -0.16 0.00 -0.04 0.00 0.00 33.50 31.74 3gut n PRO 283 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3gut s MET 284 N -3.41 1.07 -0.01 0.54 -1.94 -0.11 -4.95 119.30 110.49 3gut s MET 284 Ca 0.65 -0.20 -0.30 0.00 -1.71 0.00 0.00 55.69 54.12 3gut s MET 284 Cb -0.29 -0.99 -0.06 0.00 2.01 0.00 0.00 34.83 35.50 3gut s MET 284 CO 0.59 -0.03 1.61 -1.21 -0.01 0.00 0.00 175.02 175.97 3gut s GLU 285 N 0.77 4.20 -0.04 2.03 8.01 -1.26 -2.54 118.70 129.87 3gut s GLU 285 Ca -0.12 2.19 0.07 0.00 0.01 0.00 0.00 54.97 57.12 3gut s GLU 285 Cb -0.14 -3.82 -0.02 0.00 -4.31 0.00 0.00 34.13 25.85 3gut s GLU 285 CO 0.01 -0.77 -0.25 0.12 0.01 0.00 0.00 175.26 174.38 3gut s PHE 286 N 3.40 2.41 -0.33 1.61 2.19 0.31 -4.87 117.98 122.70 3gut s PHE 286 Ca 0.72 -0.59 0.02 0.00 0.33 0.00 0.00 56.93 57.41 3gut s PHE 286 Cb -0.35 -1.56 0.09 0.00 -1.31 0.00 0.00 43.02 39.89 3gut s PHE 286 CO 0.30 -0.13 0.03 -1.14 1.83 0.00 0.00 175.22 176.11 3gut s GLN 287 N -0.36 1.86 0.89 10.12 0.74 -0.52 0.15 119.66 132.54 3gut s GLN 287 Ca 0.02 -1.68 -0.11 0.00 0.05 0.00 0.00 55.36 53.65 3gut s GLN 287 Cb -0.12 -3.20 0.13 0.00 1.10 0.00 0.00 33.01 30.92 3gut s GLN 287 CO 0.02 -0.84 1.10 0.71 -0.55 0.00 0.00 175.29 175.72 3gut s TYR 288 N 1.03 2.13 0.21 1.67 2.02 -0.77 -2.31 117.35 121.33 3gut s TYR 288 Ca 0.04 1.47 -0.16 0.00 -0.37 0.00 0.00 57.07 58.05 3gut s TYR 288 Cb -0.20 -3.16 0.02 0.00 -0.40 0.00 0.00 41.96 38.21 3gut s TYR 288 CO -0.06 -2.47 0.51 -0.51 -1.57 0.00 0.00 175.55 171.45 3gut s LEU 289 N -6.33 0.18 -0.06 -1.29 1.43 -0.32 -2.87 118.68 109.43 3gut s LEU 289 Ca 0.64 -0.62 -0.16 0.00 -1.03 0.00 0.00 54.13 52.96 3gut s LEU 289 Cb -0.20 2.04 -0.05 0.00 0.03 0.00 0.00 46.19 48.01 3gut s LEU 289 CO 0.58 -1.08 0.44 -2.16 0.23 0.00 0.00 176.35 174.35 3gut s PRO 290 N -3.92 4.15 0.00 1.29 0.04 -1.26 0.03 135.00 135.34 3gut s PRO 290 Ca 0.13 0.43 0.24 0.00 0.04 0.00 0.00 61.00 61.83 3gut s PRO 290 Cb -0.01 -3.33 0.19 0.00 0.04 0.00 0.00 34.50 31.39 3gut s PRO 290 CO 0.01 0.42 1.25 -0.40 0.04 0.00 0.00 177.00 178.32