#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gut s TYR 20 N 0.00 1.76 -0.02 0.00 1.13 -0.26 -4.85 117.35 115.12 3gut s TYR 20 Ca 0.00 -1.47 0.06 0.00 -1.41 0.00 0.00 57.07 54.25 3gut s TYR 20 Cb 0.00 -0.95 -0.01 0.00 -1.10 0.00 0.00 41.96 39.89 3gut s TYR 20 CO 0.00 -0.57 -0.20 0.08 -2.51 0.00 0.00 175.55 172.35 3gut s VAL 21 N -3.32 1.60 -0.05 -3.49 1.01 -1.26 -1.27 120.40 113.63 3gut s VAL 21 Ca 0.31 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.38 3gut s VAL 21 Cb 0.02 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 35.08 3gut s VAL 21 CO 0.20 0.45 0.14 -1.83 0.00 0.00 0.00 175.10 174.06 3gut s GLU 22 N -0.43 0.16 -0.73 2.72 -1.05 -0.70 -4.91 118.70 113.76 3gut s GLU 22 Ca 0.07 0.19 -0.27 0.00 -0.15 0.00 0.00 54.97 54.82 3gut s GLU 22 Cb -0.08 0.07 0.03 0.00 -0.44 0.00 0.00 34.13 33.71 3gut s GLU 22 CO -0.00 -0.02 1.25 0.42 0.95 0.00 0.00 175.26 177.85 3gut s ILE 23 N 0.11 3.78 0.10 1.83 1.09 -1.26 0.91 121.20 127.75 3gut s ILE 23 Ca -0.00 0.35 -0.27 0.00 -1.10 0.00 0.00 60.65 59.63 3gut s ILE 23 Cb -0.01 -4.90 -0.12 0.00 -1.06 0.00 0.00 42.46 36.37 3gut s ILE 23 CO -0.00 -1.82 1.67 0.40 -0.10 0.00 0.00 174.94 175.09 3gut h ILE 24 N 6.03 0.58 -3.17 2.92 2.04 -1.84 -3.41 117.51 120.65 3gut h ILE 24 Ca -0.28 0.00 -0.67 0.00 1.00 0.00 0.00 64.86 64.91 3gut h ILE 24 Cb 1.05 0.58 -0.34 0.00 -0.74 0.00 0.00 36.82 37.37 3gut h ILE 24 CO 1.27 0.00 -0.87 -1.61 0.00 0.00 0.00 178.15 176.95 3gut s GLU 25 N -6.11 3.02 0.26 2.37 0.41 -1.22 -4.98 118.70 112.45 3gut s GLU 25 Ca -0.15 -0.85 -0.14 0.00 -0.41 0.00 0.00 54.97 53.43 3gut s GLU 25 Cb 0.07 -2.48 -0.08 0.00 -1.78 0.00 0.00 34.13 29.86 3gut s GLU 25 CO 0.65 -0.07 0.65 -0.65 -0.49 0.00 0.00 175.26 175.36 3gut s GLN 26 N 0.94 3.96 0.39 1.61 -1.52 -1.26 -2.75 119.66 121.02 3gut s GLN 26 Ca -0.04 0.54 -0.26 0.00 -1.95 0.00 0.00 55.36 53.66 3gut s GLN 26 Cb -0.15 -2.60 -0.09 0.00 -0.22 0.00 0.00 33.01 29.96 3gut s GLN 26 CO -0.05 0.27 1.15 -1.25 -0.25 0.00 0.00 175.29 175.16 3gut s PRO 27 N -2.72 4.13 0.47 2.91 0.04 -1.26 -0.78 135.00 137.79 3gut s PRO 27 Ca 0.49 1.81 -0.24 0.00 0.04 0.00 0.00 61.00 63.10 3gut s PRO 27 Cb -0.12 -2.72 -0.08 0.00 0.04 0.00 0.00 34.50 31.63 3gut s PRO 27 CO 0.19 -0.25 1.27 1.17 0.04 0.00 0.00 177.00 179.43 3gut n LYS 28 N 0.18 1.79 0.04 4.56 4.81 -1.20 -4.50 118.16 123.84 3gut n LYS 28 Ca 0.04 0.65 -0.22 0.00 -0.87 0.00 0.00 58.31 57.90 3gut n LYS 28 Cb 0.46 -2.43 -0.14 0.00 0.02 0.00 0.00 35.03 32.94 3gut n LYS 28 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 3gut h GLN 29 N 1.78 0.33 -5.64 1.64 4.20 -1.93 -3.45 115.11 112.03 3gut h GLN 29 Ca -0.49 -0.56 -0.55 0.00 0.06 0.00 0.00 58.65 57.11 3gut h GLN 29 Cb 1.30 0.21 -0.14 0.00 0.30 0.00 0.00 27.48 29.16 3gut h GLN 29 CO 0.58 1.25 -0.66 1.03 -0.67 0.00 0.00 178.83 180.37 3gut s ARG 30 N -2.57 1.70 0.00 1.46 0.52 -1.26 0.06 118.95 118.85 3gut s ARG 30 Ca -0.18 -1.88 0.00 0.00 -0.52 0.00 0.00 55.73 53.15 3gut s ARG 30 Cb 0.06 -1.37 0.00 0.00 0.52 0.00 0.00 34.95 34.16 3gut s ARG 30 CO 0.82 0.04 0.00 0.41 0.02 0.00 0.00 175.30 176.59 3gut n GLY 31 N -0.71 3.34 3.60 -3.53 0.00 -1.26 -5.02 105.19 101.61 3gut n GLY 31 Ca -0.05 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.62 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 3.89 -0.11 1.61 -1.94 -1.26 -4.76 119.30 116.73 3gut s MET 32 Ca 0.00 0.27 -0.21 0.00 -1.71 0.00 0.00 55.69 54.04 3gut s MET 32 Cb 0.00 -3.73 -0.04 0.00 2.01 0.00 0.00 34.83 33.07 3gut s MET 32 CO 0.00 -0.57 0.62 -0.98 -0.01 0.00 0.00 175.02 174.08 3gut s ARG 33 N 2.59 4.36 0.32 2.03 1.70 -1.26 -3.95 118.95 124.74 3gut s ARG 33 Ca 0.25 0.70 -0.29 0.00 -0.47 0.00 0.00 55.73 55.92 3gut s ARG 33 Cb -0.15 -3.47 -0.11 0.00 -0.57 0.00 0.00 34.95 30.65 3gut s ARG 33 CO 0.12 0.02 1.55 -0.06 -1.08 0.00 0.00 175.30 175.85 3gut s PHE 34 N 1.00 2.70 -0.07 5.89 0.08 -1.26 -4.94 117.98 121.37 3gut s PHE 34 Ca 0.32 0.93 -0.01 0.00 0.12 0.00 0.00 56.93 58.29 3gut s PHE 34 Cb -0.17 -4.05 -0.03 0.00 -0.57 0.00 0.00 43.02 38.20 3gut s PHE 34 CO 0.14 -3.36 -0.01 1.03 -0.10 0.00 0.00 175.22 172.93 3gut s ARG 35 N -1.07 2.93 0.75 0.44 1.81 -0.65 -4.78 118.95 118.38 3gut s ARG 35 Ca 0.59 -0.44 -0.11 0.00 -1.72 0.00 0.00 55.73 54.05 3gut s ARG 35 Cb -0.47 -2.76 0.04 0.00 -0.45 0.00 0.00 34.95 31.31 3gut s ARG 35 CO 0.53 0.69 1.09 0.71 -0.68 0.00 0.00 175.30 177.64 3gut s TYR 36 N -0.90 2.64 0.26 -0.53 1.51 -1.26 -3.18 117.35 115.90 3gut s TYR 36 Ca 0.14 1.54 -0.05 0.00 -1.01 0.00 0.00 57.07 57.69 3gut s TYR 36 Cb -0.11 -3.05 0.31 0.00 -0.11 0.00 0.00 41.96 39.00 3gut s TYR 36 CO 0.03 -1.72 1.93 -0.22 -1.11 0.00 0.00 175.55 174.47 3gut h LYS 37 N -0.90 1.26 -0.15 -0.62 3.64 -1.92 -0.50 116.57 117.38 3gut h LYS 37 Ca -0.44 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 3gut h LYS 37 Cb 1.23 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 3gut h LYS 37 CO 0.52 0.84 0.10 0.00 -2.27 0.00 0.00 179.45 178.64 3gut s GLU 39 N -5.22 4.31 0.00 0.00 2.02 -0.20 -4.87 118.70 114.75 3gut s GLU 39 Ca -0.06 1.99 0.00 0.00 0.02 0.00 0.00 54.97 56.92 3gut s GLU 39 Cb 0.17 -3.45 0.00 0.00 0.10 0.00 0.00 34.13 30.95 3gut s GLU 39 CO 0.69 -0.50 0.00 0.41 0.02 0.00 0.00 175.26 175.88 3gut n GLY 40 N 3.56 0.61 0.02 -1.39 0.00 -1.26 -4.43 105.19 102.31 3gut n GLY 40 Ca 0.12 -0.69 -0.01 0.00 0.00 0.00 0.00 46.02 45.44 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 2.12 -3.94 1.61 0.63 -1.26 -4.99 116.66 110.84 3gut n ARG 41 Ca 0.00 -0.02 -0.10 0.00 -0.92 0.00 0.00 57.85 56.81 3gut n ARG 41 Cb 0.00 -1.15 -0.11 0.00 0.45 0.00 0.00 32.46 31.65 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 -3.39 0.15 0.22 6.15 0.01 -1.26 -5.05 113.70 110.52 3gut s SER 42 Ca -0.03 -0.33 0.01 0.00 1.31 0.00 0.00 55.95 56.91 3gut s SER 42 Cb 0.02 0.11 -0.04 0.00 0.21 0.00 0.00 66.02 66.33 3gut s SER 42 CO 0.25 -0.25 0.39 0.00 0.41 0.00 0.00 173.24 174.04 3gut s ALA 43 N -1.14 3.84 0.95 1.44 0.00 -1.26 -5.08 121.76 120.51 3gut s ALA 43 Ca -0.12 -0.93 -0.08 0.00 0.00 0.00 0.00 51.96 50.83 3gut s ALA 43 Cb -0.08 -1.95 0.13 0.00 0.00 0.00 0.00 23.12 21.23 3gut s ALA 43 CO -0.00 0.35 0.29 0.41 0.00 0.00 0.00 175.76 176.81 3gut n GLY 44 N -0.92 -2.81 3.39 0.00 0.00 -1.26 -4.77 105.19 98.82 3gut n GLY 44 Ca -0.06 -0.92 -0.32 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.09 3.63 -0.19 1.61 1.04 -1.26 -4.15 113.70 112.29 3gut s SER 45 Ca 0.22 -0.33 -0.38 0.00 0.48 0.00 0.00 55.95 55.94 3gut s SER 45 Cb -0.04 -0.81 -0.15 0.00 0.10 0.00 0.00 66.02 65.12 3gut s SER 45 CO 0.18 0.30 1.73 -0.38 0.98 0.00 0.00 173.24 176.05 3gut n ILE 46 N 2.59 0.33 -1.88 -1.02 5.41 0.58 -4.91 119.36 120.46 3gut n ILE 46 Ca -0.17 -0.06 -0.29 0.00 1.00 0.00 0.00 62.75 63.23 3gut n ILE 46 Cb 0.52 -1.33 0.09 0.00 -0.71 0.00 0.00 39.64 38.21 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 3.26 1.95 0.43 0.38 0.04 -1.26 -4.75 135.00 135.05 3gut s PRO 47 Ca 0.95 0.14 0.01 0.00 0.04 0.00 0.00 61.00 62.14 3gut s PRO 47 Cb -0.96 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 31.63 3gut s PRO 47 CO 0.60 -1.61 0.64 0.20 0.04 0.00 0.00 177.00 176.86 3gut s GLY 48 N -4.53 1.57 0.18 0.56 0.00 -1.24 -3.25 107.32 100.60 3gut s GLY 48 Ca 0.62 -1.12 -0.13 0.00 0.00 0.00 0.00 44.72 44.09 3gut s GLY 48 CO 0.49 -0.96 1.80 -2.09 0.00 0.00 0.00 173.10 172.34 3gut h GLU 49 N 0.48 0.82 -0.32 2.90 4.81 -1.19 -3.14 114.58 118.94 3gut h GLU 49 Ca -0.46 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 58.71 3gut h GLU 49 Cb 1.25 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 3gut h GLU 49 CO 0.57 0.61 0.15 0.00 -0.73 0.00 0.00 179.01 179.60 3gut h ARG 50 N 0.81 0.30 -6.14 1.92 2.47 -1.94 -3.46 114.38 108.34 3gut h ARG 50 Ca 0.21 -0.02 -0.59 0.00 -1.26 0.00 0.00 59.98 58.32 3gut h ARG 50 Cb 0.01 -0.07 0.18 0.00 -1.65 0.00 0.00 29.97 28.44 3gut h ARG 50 CO -0.04 0.20 -0.99 0.45 0.56 0.00 0.00 179.97 180.15 3gut n SER 51 N -4.97 -3.10 -0.72 7.04 2.88 -1.19 -4.98 113.62 108.59 3gut n SER 51 Ca -0.00 0.65 0.00 0.00 -1.33 0.00 0.00 58.87 58.19 3gut n SER 51 Cb 0.09 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 62.62 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 -1.62 0.00 -0.16 2.46 -1.04 -1.22 -4.98 114.28 107.72 3gut n THR 52 Ca 0.08 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.03 3gut n THR 52 Cb 0.48 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.98 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 -1.15 1.04 8.00 1.82 -2.04 -2.84 116.42 121.25 3gut h ASP 53 Ca 0.00 0.21 0.00 0.00 -0.39 0.00 0.00 57.03 56.85 3gut h ASP 53 Cb 0.00 0.55 0.00 0.00 0.68 0.00 0.00 39.33 40.56 3gut h ASP 53 CO 0.00 -0.32 -0.47 0.74 -1.61 0.00 0.00 179.24 177.59 3gut h THR 54 N -0.22 0.00 -3.20 2.25 2.02 -2.00 -3.49 112.91 108.28 3gut h THR 54 Ca 0.20 -0.51 -0.37 0.00 0.77 0.00 0.00 66.41 66.50 3gut h THR 54 Cb 0.55 1.20 -0.14 0.00 -1.74 0.00 0.00 68.15 68.01 3gut h THR 54 CO -0.61 0.00 -0.72 -0.89 0.37 0.00 0.00 175.52 173.67 3gut s THR 55 N -3.16 1.38 0.11 3.16 2.01 -1.07 -5.14 115.64 112.93 3gut s THR 55 Ca 0.07 -2.12 -0.24 0.00 0.31 0.00 0.00 61.69 59.71 3gut s THR 55 Cb 0.13 -1.92 -0.07 0.00 0.01 0.00 0.00 72.50 70.65 3gut s THR 55 CO 0.69 -0.69 0.75 -1.59 -0.69 0.00 0.00 174.62 173.09 3gut s LYS 56 N -3.71 4.50 -0.04 4.92 0.00 -1.26 -3.43 119.74 120.72 3gut s LYS 56 Ca 0.19 1.07 0.01 0.00 0.00 0.00 0.00 55.97 57.24 3gut s LYS 56 Cb 0.01 -3.30 0.02 0.00 0.00 0.00 0.00 37.83 34.56 3gut s LYS 56 CO 0.03 0.46 -0.04 -0.08 0.00 0.00 0.00 175.35 175.72 3gut s THR 57 N -0.70 0.45 -0.12 3.79 -1.32 -1.26 -4.55 115.64 111.94 3gut s THR 57 Ca 0.36 -0.10 0.02 0.00 -1.21 0.00 0.00 61.69 60.76 3gut s THR 57 Cb -0.22 -0.48 0.01 0.00 -1.51 0.00 0.00 72.50 70.31 3gut s THR 57 CO 0.24 0.20 -0.19 -1.00 -2.21 0.00 0.00 174.62 171.66 3gut s HIS 58 N 0.78 2.30 -1.23 9.09 3.76 -1.26 -3.64 115.29 125.08 3gut s HIS 58 Ca -0.10 -1.11 -0.16 0.00 -0.15 0.00 0.00 55.06 53.53 3gut s HIS 58 Cb -0.13 -1.60 0.11 0.00 1.11 0.00 0.00 32.58 32.07 3gut s HIS 58 CO -0.00 -0.53 1.57 -1.25 -0.85 0.00 0.00 174.74 173.68 3gut s PRO 59 N 0.88 4.00 0.65 8.40 0.04 -1.26 -4.59 135.00 143.11 3gut s PRO 59 Ca -0.07 -2.20 -0.02 0.00 0.04 0.00 0.00 61.00 58.75 3gut s PRO 59 Cb -0.15 -5.30 0.07 0.00 0.04 0.00 0.00 34.50 29.16 3gut s PRO 59 CO -0.01 -2.03 0.91 0.99 0.04 0.00 0.00 177.00 176.90 3gut s THR 60 N 3.07 2.41 0.06 1.26 2.01 -1.11 -3.42 115.64 119.92 3gut s THR 60 Ca 0.48 -0.54 0.00 0.00 0.31 0.00 0.00 61.69 61.95 3gut s THR 60 Cb 0.01 -2.87 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 3gut s THR 60 CO 0.03 0.00 -0.04 0.27 -0.69 0.00 0.00 174.62 174.19 3gut s ILE 61 N -3.01 0.37 -0.07 1.82 -4.36 -0.65 -3.28 121.20 112.02 3gut s ILE 61 Ca 0.61 -1.69 0.02 0.00 -0.26 0.00 0.00 60.65 59.33 3gut s ILE 61 Cb -0.09 -1.35 0.01 0.00 1.25 0.00 0.00 42.46 42.28 3gut s ILE 61 CO 0.42 -0.86 -0.12 -0.75 0.24 0.00 0.00 174.94 173.87 3gut s LYS 62 N -3.43 1.74 -0.38 0.37 2.20 0.26 -2.32 119.74 118.18 3gut s LYS 62 Ca 0.04 -0.41 -0.17 0.00 -0.36 0.00 0.00 55.97 55.07 3gut s LYS 62 Cb 0.04 -1.48 0.00 0.00 -1.51 0.00 0.00 37.83 34.88 3gut s LYS 62 CO -0.07 -0.01 0.45 0.42 -0.36 0.00 0.00 175.35 175.79 3gut s ILE 63 N 0.80 5.07 -0.28 5.43 1.01 -0.46 -1.72 121.20 131.06 3gut s ILE 63 Ca -0.12 0.01 -0.12 0.00 0.00 0.00 0.00 60.65 60.42 3gut s ILE 63 Cb -0.15 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 3gut s ILE 63 CO 0.02 -0.27 0.24 0.20 0.00 0.00 0.00 174.94 175.12 3gut s ASN 64 N 1.79 6.07 0.00 3.58 -0.87 -0.40 -4.24 114.94 120.88 3gut s ASN 64 Ca 0.15 0.02 0.00 0.00 -1.57 0.00 0.00 52.86 51.46 3gut s ASN 64 Cb -0.16 -2.14 0.00 0.00 -0.02 0.00 0.00 41.25 38.93 3gut s ASN 64 CO 0.13 -0.10 0.00 0.61 -2.57 0.00 0.00 177.10 175.18 3gut n GLY 65 N 4.98 1.18 0.00 0.66 0.00 -1.26 -1.10 105.19 109.65 3gut n GLY 65 Ca -0.13 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.86 0.00 -3.62 1.61 4.19 -1.26 -4.23 117.16 111.98 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 0.22 0.00 -0.17 0.00 0.49 0.00 0.00 39.34 39.88 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 -0.04 -4.27 2.97 2.01 -1.26 -4.79 115.64 110.25 3gut s THR 67 Ca 0.00 -0.17 0.00 0.00 0.31 0.00 0.00 61.69 61.83 3gut s THR 67 Cb 0.00 -0.59 0.00 0.00 0.01 0.00 0.00 72.50 71.92 3gut s THR 67 CO 0.00 -0.26 0.00 0.61 -0.69 0.00 0.00 174.62 174.28 3gut n GLY 68 N 5.26 -0.74 3.63 4.40 0.00 0.20 -4.83 105.19 113.11 3gut n GLY 68 Ca -0.07 -1.08 -0.49 0.00 0.00 0.00 0.00 46.02 44.38 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 1.62 -3.61 1.61 -0.02 -1.26 -3.99 135.00 129.35 3gut n PRO 69 Ca 0.00 0.58 -0.02 0.00 -2.02 0.00 0.00 63.50 62.04 3gut n PRO 69 Cb 0.00 -2.28 -0.02 0.00 -0.02 0.00 0.00 33.50 31.18 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 0.65 -0.29 0.22 -1.23 0.00 -1.26 -4.20 107.32 101.21 3gut s GLY 70 Ca 0.81 1.55 0.10 0.00 0.00 0.00 0.00 44.72 47.18 3gut s GLY 70 CO 0.43 0.49 -0.19 -0.51 0.00 0.00 0.00 173.10 173.32 3gut s THR 71 N -2.27 2.16 -0.03 0.90 -4.23 -0.13 -0.08 115.64 111.97 3gut s THR 71 Ca 0.11 -2.19 0.01 0.00 -1.18 0.00 0.00 61.69 58.44 3gut s THR 71 Cb 0.00 -2.11 0.02 0.00 1.34 0.00 0.00 72.50 71.75 3gut s THR 71 CO -0.04 -0.37 -0.02 0.54 -0.54 0.00 0.00 174.62 174.19 3gut s VAL 72 N -2.34 0.31 -0.18 2.29 0.11 -0.97 -0.41 120.40 119.21 3gut s VAL 72 Ca 0.24 -0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.26 3gut s VAL 72 Cb -0.05 -0.35 0.03 0.00 -1.53 0.00 0.00 36.38 34.48 3gut s VAL 72 CO 0.10 0.15 -0.14 -0.60 -3.33 0.00 0.00 175.10 171.29 3gut s ARG 73 N 0.71 2.34 -0.27 1.54 3.52 -0.95 -1.50 118.95 124.35 3gut s ARG 73 Ca -0.08 -0.79 -0.15 0.00 -0.13 0.00 0.00 55.73 54.58 3gut s ARG 73 Cb -0.11 -2.39 -0.04 0.00 -1.56 0.00 0.00 34.95 30.85 3gut s ARG 73 CO -0.01 -0.33 0.37 0.42 -0.81 0.00 0.00 175.30 174.94 3gut s ILE 74 N 1.38 5.18 0.35 4.11 -1.09 0.49 -1.55 121.20 130.06 3gut s ILE 74 Ca 0.01 0.56 0.09 0.00 -2.23 0.00 0.00 60.65 59.09 3gut s ILE 74 Cb -0.15 -3.69 -0.06 0.00 -1.58 0.00 0.00 42.46 36.98 3gut s ILE 74 CO -0.10 0.17 -0.03 -0.55 -1.23 0.00 0.00 174.94 173.20 3gut s SER 75 N 1.61 3.98 -0.30 3.58 0.15 -1.05 -0.03 113.70 121.65 3gut s SER 75 Ca 0.15 -1.09 -0.09 0.00 0.70 0.00 0.00 55.95 55.61 3gut s SER 75 Cb -0.16 -0.45 -0.01 0.00 -1.71 0.00 0.00 66.02 63.69 3gut s SER 75 CO 0.10 -0.24 0.14 -0.76 1.20 0.00 0.00 173.24 173.68 3gut s LEU 76 N -3.67 3.98 0.16 3.45 1.02 -1.26 0.98 118.68 123.34 3gut s LEU 76 Ca 0.34 -0.46 0.11 0.00 0.02 0.00 0.00 54.13 54.14 3gut s LEU 76 Cb 0.01 -1.99 -0.04 0.00 0.02 0.00 0.00 46.19 44.19 3gut s LEU 76 CO 0.18 -0.16 -0.24 0.68 0.02 0.00 0.00 176.35 176.83 3gut s VAL 77 N 1.61 2.21 1.25 -1.59 -7.23 0.46 0.16 120.40 117.27 3gut s VAL 77 Ca 0.05 -1.88 -0.18 0.00 -1.81 0.00 0.00 61.98 58.16 3gut s VAL 77 Cb -0.17 -2.00 0.27 0.00 0.56 0.00 0.00 36.38 35.05 3gut s VAL 77 CO 0.06 -0.06 0.68 0.35 -0.31 0.00 0.00 175.10 175.82 3gut n THR 78 N 0.57 0.00 -0.00 5.32 -2.24 -0.39 0.49 114.28 118.02 3gut n THR 78 Ca -0.15 -0.26 -0.00 0.00 -2.27 0.00 0.00 64.05 61.37 3gut n THR 78 Cb 0.55 -0.85 -0.00 0.00 -2.10 0.00 0.00 70.33 67.92 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 -2.90 -0.01 -7.22 -0.78 3.64 -1.85 -3.37 116.57 104.09 3gut h LYS 79 Ca -0.50 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.38 3gut h LYS 79 Cb 1.27 0.00 0.09 0.00 -0.41 0.00 0.00 32.23 33.18 3gut h LYS 79 CO 0.36 -0.01 0.37 -0.51 -2.27 0.00 0.00 179.45 177.39 3gut s ASP 80 N -3.12 5.36 0.00 4.20 1.01 -1.26 -4.93 116.67 117.93 3gut s ASP 80 Ca -0.00 1.87 0.00 0.00 0.71 0.00 0.00 52.55 55.13 3gut s ASP 80 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 3gut s ASP 80 CO 0.00 -1.45 0.00 -2.65 0.21 0.00 0.00 175.17 171.28 3gut n PRO 81 N -2.42 0.00 -1.16 8.23 -0.02 -1.26 -3.62 135.00 134.75 3gut n PRO 81 Ca 0.09 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.16 3gut n PRO 81 Cb 0.53 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.96 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 -1.30 1.69 -0.72 0.52 -0.02 -1.26 -4.82 135.00 129.09 3gut n PRO 82 Ca 0.00 -1.88 -0.29 0.00 -2.02 0.00 0.00 63.50 59.32 3gut n PRO 82 Cb 0.00 -2.90 -0.08 0.00 -0.02 0.00 0.00 33.50 30.49 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 7.01 0.05 -2.50 6.00 8.25 -1.24 -4.85 115.22 127.94 3gut n HIS 83 Ca 0.49 -0.32 -0.36 0.00 -0.26 0.00 0.00 57.72 57.27 3gut n HIS 83 Cb 0.38 -0.75 -0.03 0.00 1.12 0.00 0.00 29.99 30.70 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 5.87 4.02 0.57 -0.41 0.52 -1.26 -4.64 118.95 123.62 3gut s ARG 84 Ca 0.48 1.51 -0.20 0.00 -0.52 0.00 0.00 55.73 57.00 3gut s ARG 84 Cb 0.09 -2.42 -0.05 0.00 0.52 0.00 0.00 34.95 33.09 3gut s ARG 84 CO 0.23 -0.27 1.18 -0.35 0.02 0.00 0.00 175.30 176.11 3gut n PRO 85 N -0.34 1.29 -2.99 3.54 -0.04 -1.26 -1.27 135.00 133.94 3gut n PRO 85 Ca 0.06 0.49 -0.40 0.00 -0.04 0.00 0.00 63.50 63.61 3gut n PRO 85 Cb 0.50 -2.37 -0.06 0.00 -0.04 0.00 0.00 33.50 31.53 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 -1.38 3.85 0.35 0.54 2.46 0.43 -4.65 115.29 116.89 3gut s HIS 86 Ca 0.74 1.57 0.04 0.00 0.47 0.00 0.00 55.06 57.88 3gut s HIS 86 Cb -0.43 -2.78 0.67 0.00 -0.13 0.00 0.00 32.58 29.92 3gut s HIS 86 CO 0.48 0.44 1.96 -1.35 -2.47 0.00 0.00 174.74 173.80 3gut h PRO 87 N 4.75 0.81 -7.15 2.88 0.11 -1.90 -3.43 132.00 128.07 3gut h PRO 87 Ca -0.46 -0.05 -0.51 0.00 0.11 0.00 0.00 66.00 65.09 3gut h PRO 87 Cb 1.21 -0.18 0.21 0.00 0.11 0.00 0.00 31.00 32.34 3gut h PRO 87 CO 0.67 0.54 0.01 0.72 -0.21 0.00 0.00 178.00 179.73 3gut n HIS 88 N -4.47 0.12 -4.34 0.65 8.25 -1.26 -4.78 115.22 109.40 3gut n HIS 88 Ca 0.10 0.29 -0.23 0.00 -0.26 0.00 0.00 57.72 57.62 3gut n HIS 88 Cb 0.17 -1.91 -0.08 0.00 1.12 0.00 0.00 29.99 29.29 3gut n HIS 88 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3gut s GLU 89 N -4.40 2.11 -0.35 -0.41 2.02 -0.50 -4.90 118.70 112.27 3gut s GLU 89 Ca 0.65 -1.56 -0.03 0.00 0.02 0.00 0.00 54.97 54.06 3gut s GLU 89 Cb -0.23 -2.03 0.08 0.00 0.10 0.00 0.00 34.13 32.05 3gut s GLU 89 CO 0.61 0.31 0.11 -1.17 0.02 0.00 0.00 175.26 175.14 3gut s LEU 90 N -3.65 4.58 0.07 1.80 2.96 -0.93 -1.92 118.68 121.60 3gut s LEU 90 Ca 0.32 -1.61 0.07 0.00 -0.22 0.00 0.00 54.13 52.69 3gut s LEU 90 Cb -0.05 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 3gut s LEU 90 CO 0.19 -0.40 -0.15 0.68 -1.32 0.00 0.00 176.35 175.34 3gut s VAL 91 N 1.22 3.00 -4.87 1.68 -7.23 -1.14 -3.40 120.40 109.66 3gut s VAL 91 Ca 0.02 -1.26 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 3gut s VAL 91 Cb -0.21 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.40 3gut s VAL 91 CO -0.02 0.23 0.00 0.61 -0.31 0.00 0.00 175.10 175.61 3gut n GLY 92 N 1.16 0.97 3.70 2.32 0.00 -1.26 -2.15 105.19 109.93 3gut n GLY 92 Ca -0.15 -1.90 -0.43 0.00 0.00 0.00 0.00 46.02 43.53 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 2.27 -1.37 1.61 3.00 -1.25 -2.64 118.16 119.78 3gut n LYS 93 Ca 0.00 0.81 -0.13 0.00 -0.00 0.00 0.00 58.31 58.99 3gut n LYS 93 Cb 0.00 -2.50 -0.05 0.00 0.00 0.00 0.00 35.03 32.48 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 2.01 -5.14 -4.99 3.14 8.00 -1.26 -4.85 116.55 113.46 3gut n ASP 94 Ca 0.10 0.32 -0.22 0.00 0.71 0.00 0.00 54.79 55.69 3gut n ASP 94 Cb 0.34 -3.76 0.04 0.00 -0.02 0.00 0.00 41.12 37.72 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 -2.10 0.00 -1.67 0.00 1.85 -0.53 -4.94 116.66 109.28 3gut n ARG 96 Ca 0.10 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 56.87 3gut n ARG 96 Cb 0.63 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 32.01 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 -2.33 -0.08 2.89 9.92 -1.26 0.05 116.55 125.74 3gut n ASP 97 Ca 0.00 0.23 -0.01 0.00 -0.53 0.00 0.00 54.79 54.48 3gut n ASP 97 Cb 0.00 -2.25 -0.00 0.00 -0.64 0.00 0.00 41.12 38.23 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 -0.34 0.42 3.13 0.44 0.00 -1.26 -4.92 105.19 102.65 3gut n GLY 98 Ca -0.08 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.04 0.01 0.04 1.61 -0.85 0.11 -2.19 117.35 114.04 3gut s TYR 99 Ca 0.00 -0.08 -0.16 0.00 -0.52 0.00 0.00 57.07 56.31 3gut s TYR 99 Cb 0.00 -0.03 -0.06 0.00 0.38 0.00 0.00 41.96 42.25 3gut s TYR 99 CO 0.00 -0.31 0.47 -0.47 -1.52 0.00 0.00 175.55 173.72 3gut s TYR 100 N -1.41 3.73 -0.28 -3.49 6.14 0.96 -1.45 117.35 121.55 3gut s TYR 100 Ca -0.14 1.07 -0.19 0.00 0.64 0.00 0.00 57.07 58.44 3gut s TYR 100 Cb -0.07 -2.35 0.11 0.00 0.42 0.00 0.00 41.96 40.07 3gut s TYR 100 CO 0.02 0.59 0.88 -2.00 0.64 0.00 0.00 175.55 175.68 3gut s GLU 101 N -1.26 0.55 0.00 4.97 2.12 -0.74 0.18 118.70 124.53 3gut s GLU 101 Ca 0.28 0.84 0.00 0.00 0.36 0.00 0.00 54.97 56.45 3gut s GLU 101 Cb -0.17 0.17 0.00 0.00 0.26 0.00 0.00 34.13 34.39 3gut s GLU 101 CO 0.16 -0.10 0.00 0.00 -0.54 0.00 0.00 175.26 174.78 3gut n ALA 102 N 3.40 0.00 -3.24 6.30 0.00 -0.56 -4.69 120.51 121.72 3gut n ALA 102 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.92 3gut n ALA 102 Cb 0.57 0.00 -0.13 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 2.00 4.56 0.69 0.00 1.01 -1.26 -2.29 116.67 121.38 3gut s ASP 103 Ca 0.00 -0.28 -0.17 0.00 0.71 0.00 0.00 52.55 52.81 3gut s ASP 103 Cb 0.00 -1.78 -0.01 0.00 1.01 0.00 0.00 42.92 42.15 3gut s ASP 103 CO 0.00 0.04 1.00 0.18 0.21 0.00 0.00 175.17 176.60 3gut n LEU 104 N 4.40 3.81 -4.68 1.23 4.32 0.89 -4.89 117.00 122.07 3gut n LEU 104 Ca -0.18 0.71 -0.43 0.00 -0.02 0.00 0.00 56.01 56.10 3gut n LEU 104 Cb 0.51 -1.42 -0.02 0.00 -1.62 0.00 0.00 43.42 40.87 3gut n LEU 104 CO 0.30 -1.90 0.95 0.00 -1.22 0.00 0.00 177.39 175.52 3gut h PRO 106 N 7.59 0.08 -0.86 0.00 0.13 -1.91 -3.19 132.00 133.84 3gut h PRO 106 Ca -0.29 -0.03 -0.49 0.00 -0.87 0.00 0.00 66.00 64.33 3gut h PRO 106 Cb 1.13 -0.01 -0.27 0.00 0.13 0.00 0.00 31.00 31.98 3gut h PRO 106 CO 0.92 0.36 0.48 -0.40 -0.23 0.00 0.00 178.00 179.13 3gut n ASP 107 N -4.18 4.42 -3.78 1.44 5.68 -1.26 0.60 116.55 119.47 3gut n ASP 107 Ca -0.02 -3.70 -0.10 0.00 -0.50 0.00 0.00 54.79 50.47 3gut n ASP 107 Cb 0.35 -0.81 -0.07 0.00 -1.14 0.00 0.00 41.12 39.45 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 -3.43 0.84 0.00 0.11 3.52 -1.21 -5.02 118.95 113.77 3gut s ARG 108 Ca 0.56 -0.68 0.00 0.00 -0.13 0.00 0.00 55.73 55.48 3gut s ARG 108 Cb 0.47 0.36 0.00 0.00 -1.56 0.00 0.00 34.95 34.21 3gut s ARG 108 CO 0.06 -0.28 0.31 0.45 -0.81 0.00 0.00 175.30 175.03 3gut n SER 109 N 0.29 0.62 -4.23 -2.12 2.88 -1.26 -4.45 113.62 105.34 3gut n SER 109 Ca -0.17 -0.81 -0.34 0.00 -1.33 0.00 0.00 58.87 56.22 3gut n SER 109 Cb 0.61 0.34 -0.15 0.00 -0.75 0.00 0.00 64.21 64.26 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 -0.34 2.71 -0.13 2.46 1.01 -1.26 -1.35 121.20 124.30 3gut s ILE 110 Ca 0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 60.65 59.91 3gut s ILE 110 Cb 0.00 -2.18 0.03 0.00 0.01 0.00 0.00 42.46 40.32 3gut s ILE 110 CO 0.00 0.49 -0.05 -1.00 0.00 0.00 0.00 174.94 174.38 3gut s HIS 111 N 1.19 1.44 0.05 3.97 3.76 -0.98 -5.00 115.29 119.73 3gut s HIS 111 Ca 0.02 -0.81 0.01 0.00 -0.15 0.00 0.00 55.06 54.12 3gut s HIS 111 Cb -0.14 -1.20 -0.04 0.00 1.11 0.00 0.00 32.58 32.31 3gut s HIS 111 CO -0.05 -0.54 0.16 -1.54 -0.85 0.00 0.00 174.74 171.92 3gut s SER 112 N 1.72 6.06 -0.33 1.40 1.04 -1.26 -1.63 113.70 120.70 3gut s SER 112 Ca 0.03 0.18 0.01 0.00 0.48 0.00 0.00 55.95 56.66 3gut s SER 112 Cb -0.14 -1.80 0.08 0.00 0.10 0.00 0.00 66.02 64.27 3gut s SER 112 CO -0.08 0.19 0.04 -0.36 0.98 0.00 0.00 173.24 174.01 3gut s PHE 113 N -1.43 3.54 -0.99 5.02 0.08 -1.22 -4.96 117.98 118.02 3gut s PHE 113 Ca 0.32 -2.55 0.18 0.00 0.12 0.00 0.00 56.93 54.99 3gut s PHE 113 Cb -0.13 -2.63 0.74 0.00 -0.57 0.00 0.00 43.02 40.44 3gut s PHE 113 CO 0.24 -0.91 1.66 0.94 -0.10 0.00 0.00 175.22 177.04 3gut n GLN 114 N 4.42 3.94 -2.12 0.44 7.27 -1.26 -4.39 117.38 125.69 3gut n GLN 114 Ca -0.04 -2.95 -0.04 0.00 0.07 0.00 0.00 57.00 54.04 3gut n GLN 114 Cb 0.42 -1.96 0.05 0.00 2.41 0.00 0.00 30.24 31.16 3gut n GLN 114 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 3gut n ASN 115 N 1.05 2.22 -4.68 1.69 5.03 -1.26 -4.83 115.26 114.47 3gut n ASN 115 Ca 0.26 -2.62 -0.37 0.00 0.87 0.00 0.00 54.58 52.73 3gut n ASN 115 Cb 0.95 -0.41 -0.08 0.00 -1.02 0.00 0.00 39.78 39.21 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 -2.87 4.16 0.26 3.41 1.43 -1.26 -3.81 118.68 120.00 3gut s LEU 116 Ca 0.35 0.29 0.07 0.00 -1.03 0.00 0.00 54.13 53.81 3gut s LEU 116 Cb 0.36 -2.25 -0.06 0.00 0.03 0.00 0.00 46.19 44.28 3gut s LEU 116 CO -0.05 0.05 -0.07 -0.83 0.23 0.00 0.00 176.35 175.68 3gut s GLY 117 N 0.85 1.75 -0.08 -3.19 0.00 -0.91 0.21 107.32 105.95 3gut s GLY 117 Ca 0.12 -1.85 0.05 0.00 0.00 0.00 0.00 44.72 43.03 3gut s GLY 117 CO 0.04 -1.82 -0.24 -0.42 0.00 0.00 0.00 173.10 170.67 3gut s ILE 118 N -3.02 2.12 -0.36 0.90 1.09 -1.26 -2.86 121.20 117.80 3gut s ILE 118 Ca 0.28 -1.02 0.02 0.00 -1.10 0.00 0.00 60.65 58.84 3gut s ILE 118 Cb 0.03 -1.79 0.11 0.00 -1.06 0.00 0.00 42.46 39.75 3gut s ILE 118 CO 0.11 0.56 0.10 -1.58 -0.10 0.00 0.00 174.94 174.04 3gut s GLN 119 N 0.08 1.29 0.84 2.79 0.74 -0.81 -1.63 119.66 122.96 3gut s GLN 119 Ca -0.11 -1.73 -0.11 0.00 0.05 0.00 0.00 55.36 53.46 3gut s GLN 119 Cb -0.16 -2.78 0.10 0.00 1.10 0.00 0.00 33.01 31.26 3gut s GLN 119 CO 0.06 -0.99 1.09 0.00 -0.55 0.00 0.00 175.29 174.90 3gut s VAL 121 N -2.89 3.48 0.29 0.00 -7.23 -1.26 -4.33 120.40 108.46 3gut s VAL 121 Ca 0.63 -1.60 -0.21 0.00 -1.81 0.00 0.00 61.98 58.98 3gut s VAL 121 Cb -0.18 -3.08 -0.09 0.00 0.56 0.00 0.00 36.38 33.59 3gut s VAL 121 CO 0.57 -0.24 0.83 -0.54 -0.31 0.00 0.00 175.10 175.40 3gut s LYS 122 N -3.85 4.33 0.42 4.82 1.02 -1.26 -4.90 119.74 120.31 3gut s LYS 122 Ca 0.37 1.03 0.23 0.00 0.02 0.00 0.00 55.97 57.62 3gut s LYS 122 Cb -0.05 -2.71 1.25 0.00 -0.52 0.00 0.00 37.83 35.80 3gut s LYS 122 CO 0.24 0.28 1.67 -0.22 -0.92 0.00 0.00 175.35 176.39 3gut h LYS 123 N 3.01 0.00 0.15 1.68 1.63 -2.00 -0.14 116.57 120.90 3gut h LYS 123 Ca -0.48 0.00 -0.30 0.00 -0.85 0.00 0.00 60.65 59.03 3gut h LYS 123 Cb 1.19 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.83 3gut h LYS 123 CO 0.65 0.00 -1.47 -0.09 -3.45 0.00 0.00 179.45 175.08 3gut h ARG 124 N 0.00 0.33 -1.52 1.90 2.43 -2.06 -3.33 114.38 112.13 3gut h ARG 124 Ca 0.00 -0.56 -0.62 0.00 -0.81 0.00 0.00 59.98 58.00 3gut h ARG 124 Cb 0.30 0.21 -0.24 0.00 -0.42 0.00 0.00 29.97 29.82 3gut h ARG 124 CO 0.00 1.27 0.78 -0.25 -1.51 0.00 0.00 179.97 180.26 3gut n ASP 125 N -3.82 7.27 -0.04 -3.80 8.00 -0.10 -4.53 116.55 119.53 3gut n ASP 125 Ca -0.23 -3.59 -0.10 0.00 0.71 0.00 0.00 54.79 51.58 3gut n ASP 125 Cb 0.97 -1.06 -0.09 0.00 -0.02 0.00 0.00 41.12 40.92 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 2.66 -0.03 -1.18 0.64 7.12 -1.59 -3.23 115.31 119.70 3gut h LEU 126 Ca 0.51 -0.62 0.05 0.00 0.13 0.00 0.00 57.88 57.95 3gut h LEU 126 Cb 0.59 0.01 -0.05 0.00 -0.53 0.00 0.00 40.66 40.68 3gut h LEU 126 CO 1.30 0.75 0.57 -0.33 -0.13 0.00 0.00 178.44 180.60 3gut h GLU 127 N -0.96 1.00 0.00 1.25 4.39 -1.88 -1.98 114.58 116.40 3gut h GLU 127 Ca -0.00 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 3gut h GLU 127 Cb 0.64 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 29.06 3gut h GLU 127 CO 0.01 0.66 -0.15 0.37 -1.16 0.00 0.00 179.01 178.74 3gut h GLN 128 N 1.03 0.00 0.23 2.33 4.15 -1.89 -2.21 115.11 118.75 3gut h GLN 128 Ca 0.36 0.00 -0.34 0.00 0.77 0.00 0.00 58.65 59.44 3gut h GLN 128 Cb 0.11 0.00 0.03 0.00 0.21 0.00 0.00 27.48 27.83 3gut h GLN 128 CO -0.12 0.15 -1.53 0.00 -1.93 0.00 0.00 178.83 175.41 3gut h ALA 129 N 1.85 -0.06 -0.59 3.38 0.00 -1.39 -3.17 119.26 119.27 3gut h ALA 129 Ca -0.00 -0.93 -0.05 0.00 0.00 0.00 0.00 54.91 53.92 3gut h ALA 129 Cb 0.70 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 3gut h ALA 129 CO 0.02 0.80 0.14 0.82 0.00 0.00 0.00 179.25 181.03 3gut h ILE 130 N 0.13 1.24 0.00 0.00 2.04 -1.30 -1.98 117.51 117.63 3gut h ILE 130 Ca -0.27 -0.85 -0.02 0.00 1.00 0.00 0.00 64.86 64.71 3gut h ILE 130 Cb 2.14 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 38.85 3gut h ILE 130 CO 0.25 0.32 -0.12 0.77 0.00 0.00 0.00 178.15 179.37 3gut h SER 131 N 0.87 0.00 1.63 1.72 4.64 -1.47 -2.56 113.55 118.38 3gut h SER 131 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3gut h SER 131 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3gut h SER 131 CO -0.00 0.12 -0.23 -0.61 -0.87 0.00 0.00 176.83 175.23 3gut h GLN 132 N 0.00 0.00 -0.02 4.77 4.15 -1.33 -2.03 115.11 120.65 3gut h GLN 132 Ca -0.00 0.00 -0.26 0.00 0.77 0.00 0.00 58.65 59.16 3gut h GLN 132 Cb 0.47 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.18 3gut h GLN 132 CO 0.02 0.00 -1.01 0.00 -1.93 0.00 0.00 178.83 175.91 3gut h ARG 133 N 0.00 0.70 0.33 1.69 2.47 -1.32 -2.68 114.38 115.57 3gut h ARG 133 Ca 0.00 -0.73 -0.02 0.00 -1.26 0.00 0.00 59.98 57.98 3gut h ARG 133 Cb 0.93 0.20 0.00 0.00 -1.65 0.00 0.00 29.97 29.45 3gut h ARG 133 CO 0.00 1.31 -0.16 0.82 0.56 0.00 0.00 179.97 182.50 3gut h ILE 134 N 0.40 0.63 0.00 2.04 1.08 -1.51 0.28 117.51 120.43 3gut h ILE 134 Ca -0.12 -0.61 -0.02 0.00 -0.39 0.00 0.00 64.86 63.72 3gut h ILE 134 Cb 1.66 0.91 -0.00 0.00 -3.07 0.00 0.00 36.82 36.32 3gut h ILE 134 CO 0.20 0.11 -0.10 0.06 -0.69 0.00 0.00 178.15 177.73 3gut h GLN 135 N -0.82 0.00 -0.61 2.37 -0.00 -1.49 -2.01 115.11 112.56 3gut h GLN 135 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.60 3gut h GLN 135 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.00 3gut h GLN 135 CO 0.07 0.10 0.00 -2.37 -0.00 0.00 0.00 178.83 176.64 3gut n THR 136 N -3.56 0.83 -3.27 1.86 5.66 -1.01 -5.00 114.28 109.79 3gut n THR 136 Ca -0.02 -0.91 -0.19 0.00 -3.05 0.00 0.00 64.05 59.88 3gut n THR 136 Cb 0.23 0.67 0.01 0.00 -1.55 0.00 0.00 70.33 69.69 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 1.57 -6.60 -3.56 1.09 5.03 -0.76 -4.97 115.26 107.06 3gut n ASN 137 Ca 0.22 -0.08 -0.28 0.00 0.87 0.00 0.00 54.58 55.31 3gut n ASN 137 Cb 0.61 -3.56 -0.11 0.00 -1.02 0.00 0.00 39.78 35.70 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 -2.43 2.68 -0.51 6.41 2.47 0.95 -4.97 114.94 119.54 3gut s ASN 138 Ca 0.19 -3.08 0.07 0.00 0.42 0.00 0.00 52.86 50.46 3gut s ASN 138 Cb -0.03 -0.79 0.19 0.00 -1.45 0.00 0.00 41.25 39.17 3gut s ASN 138 CO 0.82 -0.18 0.69 -3.20 -3.72 0.00 0.00 177.10 171.51 3gut n ASN 139 N 2.89 -3.09 -0.22 -4.21 5.15 -1.26 -4.56 115.26 109.96 3gut n ASN 139 Ca 0.22 -2.88 0.05 0.00 -0.60 0.00 0.00 54.58 51.38 3gut n ASN 139 Cb 0.42 1.49 0.31 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 5.02 0.84 -0.70 1.20 0.13 -1.93 -1.97 132.00 134.59 3gut h PRO 140 Ca 0.07 -0.05 -0.19 0.00 -0.87 0.00 0.00 66.00 64.96 3gut h PRO 140 Cb 1.08 -0.19 -0.11 0.00 0.13 0.00 0.00 31.00 31.91 3gut h PRO 140 CO 0.07 0.56 0.23 1.19 -0.23 0.00 0.00 178.00 179.82 3gut n PHE 141 N -4.47 2.35 -2.82 1.56 3.72 -1.26 -4.92 117.46 111.61 3gut n PHE 141 Ca 0.11 -1.17 -0.18 0.00 -0.05 0.00 0.00 57.45 56.16 3gut n PHE 141 Cb 0.19 -0.66 -0.03 0.00 -0.94 0.00 0.00 39.48 38.04 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 -0.13 -0.71 -1.65 1.38 8.25 -0.74 -4.80 115.22 116.82 3gut n HIS 142 Ca 0.39 0.30 -0.49 0.00 -0.26 0.00 0.00 57.72 57.65 3gut n HIS 142 Cb 1.35 -0.90 -0.05 0.00 1.12 0.00 0.00 29.99 31.51 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 -2.19 0.13 -1.43 1.59 0.31 -1.26 -4.88 118.33 110.61 3gut n VAL 143 Ca 0.05 -0.02 -0.37 0.00 -0.01 0.00 0.00 64.34 63.99 3gut n VAL 143 Cb 0.25 -1.36 0.06 0.00 -0.91 0.00 0.00 33.84 31.88 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 3.91 0.55 0.28 5.55 -0.02 -1.26 -4.79 135.00 139.21 3gut n PRO 144 Ca 0.19 0.23 0.11 0.00 -2.02 0.00 0.00 63.50 62.02 3gut n PRO 144 Cb 0.24 -2.00 0.77 0.00 -0.02 0.00 0.00 33.50 32.50 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 -0.00 0.76 0.16 4.25 6.09 -1.99 -0.77 117.51 126.00 3gut h ILE 145 Ca -0.47 -0.06 -0.24 0.00 -1.37 0.00 0.00 64.86 62.72 3gut h ILE 145 Cb 1.36 1.03 0.02 0.00 0.47 0.00 0.00 36.82 39.70 3gut h ILE 145 CO 0.47 0.02 -1.11 -0.33 -3.07 0.00 0.00 178.15 174.13 3gut h GLU 146 N 0.00 0.33 -0.04 2.19 5.08 -2.01 -3.31 114.58 116.83 3gut h GLU 146 Ca -0.00 -0.57 0.00 0.00 -1.00 0.00 0.00 59.36 57.79 3gut h GLU 146 Cb 0.03 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3gut h GLU 146 CO 0.00 1.27 0.00 0.39 -1.00 0.00 0.00 179.01 179.67 3gut n GLU 147 N -3.99 1.11 0.09 2.33 4.71 -0.96 -3.44 120.64 120.49 3gut n GLU 147 Ca -0.17 -0.17 0.12 0.00 -0.01 0.00 0.00 57.16 56.92 3gut n GLU 147 Cb 0.90 -1.14 0.10 0.00 -1.01 0.00 0.00 31.44 30.29 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 0.30 0.00 -6.81 3.49 4.20 -1.24 -3.45 115.11 111.60 3gut h GLN 148 Ca 0.00 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.20 3gut h GLN 148 Cb 0.07 0.00 0.04 0.00 0.30 0.00 0.00 27.48 27.88 3gut h GLN 148 CO 0.00 0.00 0.55 1.03 -0.67 0.00 0.00 178.83 179.74 3gut s ARG 149 N -3.25 4.51 0.00 1.46 0.52 -1.22 -4.96 118.95 116.01 3gut s ARG 149 Ca 0.03 1.97 0.00 0.00 -0.52 0.00 0.00 55.73 57.22 3gut s ARG 149 Cb 0.11 -3.15 0.00 0.00 0.52 0.00 0.00 34.95 32.43 3gut s ARG 149 CO 0.75 0.02 0.00 0.41 0.02 0.00 0.00 175.30 176.50 3gut n GLY 150 N 1.20 3.29 3.76 -3.53 0.00 -1.26 -5.10 105.19 103.55 3gut n GLY 150 Ca 0.00 -1.77 -0.40 0.00 0.00 0.00 0.00 46.02 43.85 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 6.99 -0.14 1.61 1.01 -1.26 -5.05 116.67 119.83 3gut s ASP 151 Ca 0.00 2.38 -0.05 0.00 0.71 0.00 0.00 52.55 55.59 3gut s ASP 151 Cb 0.00 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 3gut s ASP 151 CO 0.00 -0.35 0.03 -0.31 0.21 0.00 0.00 175.17 174.75 3gut s TYR 152 N -1.23 3.21 -0.67 4.23 1.51 -1.26 -5.05 117.35 118.08 3gut s TYR 152 Ca 0.48 0.07 -0.27 0.00 -1.01 0.00 0.00 57.07 56.34 3gut s TYR 152 Cb -0.33 -1.96 0.02 0.00 -0.11 0.00 0.00 41.96 39.58 3gut s TYR 152 CO 0.43 0.26 1.36 0.34 -1.11 0.00 0.00 175.55 176.83 3gut s ASP 153 N -0.12 6.08 0.00 2.29 2.15 -1.26 -4.85 116.67 120.96 3gut s ASP 153 Ca 0.06 -0.16 0.26 0.00 0.43 0.00 0.00 52.55 53.13 3gut s ASP 153 Cb -0.12 -2.55 1.42 0.00 -0.30 0.00 0.00 42.92 41.36 3gut s ASP 153 CO 0.02 -1.84 1.89 0.18 -0.17 0.00 0.00 175.17 175.24 3gut n LEU 154 N 9.72 0.00 -1.12 -1.34 4.77 -1.26 -3.10 117.00 124.67 3gut n LEU 154 Ca 0.07 0.15 0.10 0.00 -0.03 0.00 0.00 56.01 56.31 3gut n LEU 154 Cb 0.49 -0.15 0.25 0.00 -2.33 0.00 0.00 43.42 41.68 3gut n LEU 154 CO 0.71 -0.03 0.71 0.59 -1.33 0.00 0.00 177.39 178.05 3gut n ASN 155 N -1.15 3.55 -3.71 -1.43 5.03 -1.26 -4.88 115.26 111.40 3gut n ASN 155 Ca 0.16 -1.98 -0.13 0.00 0.87 0.00 0.00 54.58 53.50 3gut n ASN 155 Cb 0.15 -0.36 -0.09 0.00 -1.02 0.00 0.00 39.78 38.45 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 -1.10 -1.16 0.27 5.41 0.00 -1.18 -0.05 121.76 123.95 3gut s ALA 156 Ca 0.40 1.33 0.04 0.00 0.00 0.00 0.00 51.96 53.73 3gut s ALA 156 Cb 0.21 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.54 3gut s ALA 156 CO 0.28 -0.22 0.27 1.33 0.00 0.00 0.00 175.76 177.42 3gut n VAL 157 N 2.87 0.00 -3.68 0.00 0.24 -0.83 -4.44 118.33 112.49 3gut n VAL 157 Ca -0.14 -1.80 -0.17 0.00 -2.04 0.00 0.00 64.34 60.20 3gut n VAL 157 Cb 0.57 0.95 -0.16 0.00 -1.47 0.00 0.00 33.84 33.73 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 -2.96 0.03 0.31 7.34 0.52 0.18 -1.70 118.95 122.67 3gut s ARG 158 Ca 0.29 0.53 -0.29 0.00 -0.52 0.00 0.00 55.73 55.74 3gut s ARG 158 Cb 0.01 -0.28 -0.10 0.00 0.52 0.00 0.00 34.95 35.09 3gut s ARG 158 CO 0.21 -0.30 1.38 -0.51 0.02 0.00 0.00 175.30 176.10 3gut s LEU 159 N 2.17 4.40 -0.53 2.53 1.43 -1.26 -0.41 118.68 127.02 3gut s LEU 159 Ca 0.02 2.74 0.04 0.00 -1.03 0.00 0.00 54.13 55.89 3gut s LEU 159 Cb -0.12 -3.64 0.15 0.00 0.03 0.00 0.00 46.19 42.60 3gut s LEU 159 CO -0.06 -0.64 0.32 0.00 0.23 0.00 0.00 176.35 176.21 3gut s PHE 161 N -0.31 3.07 -0.40 0.00 0.40 -1.12 -2.51 117.98 117.11 3gut s PHE 161 Ca 0.21 0.66 0.02 0.00 -0.60 0.00 0.00 56.93 57.22 3gut s PHE 161 Cb -0.16 -3.91 0.12 0.00 0.51 0.00 0.00 43.02 39.58 3gut s PHE 161 CO -0.06 -3.33 0.18 -0.65 0.70 0.00 0.00 175.22 172.06 3gut s GLN 162 N 1.09 1.18 0.24 0.44 -0.21 -0.60 -2.52 119.66 119.29 3gut s GLN 162 Ca 0.69 -1.76 -0.16 0.00 0.02 0.00 0.00 55.36 54.16 3gut s GLN 162 Cb -0.43 -2.39 -0.08 0.00 1.00 0.00 0.00 33.01 31.10 3gut s GLN 162 CO 0.31 -1.08 0.68 0.08 -2.12 0.00 0.00 175.29 173.16 3gut s VAL 163 N 0.75 4.70 -0.30 1.09 1.01 -1.26 -2.23 120.40 124.15 3gut s VAL 163 Ca 0.15 1.01 -0.01 0.00 0.00 0.00 0.00 61.98 63.12 3gut s VAL 163 Cb -0.22 -3.73 0.10 0.00 0.00 0.00 0.00 36.38 32.52 3gut s VAL 163 CO -0.08 0.07 0.10 -0.89 0.00 0.00 0.00 175.10 174.30 3gut s THR 164 N -1.68 0.69 0.00 3.92 2.01 0.45 -1.22 115.64 119.81 3gut s THR 164 Ca 0.46 -1.25 0.00 0.00 0.31 0.00 0.00 61.69 61.21 3gut s THR 164 Cb -0.14 -1.52 0.00 0.00 0.01 0.00 0.00 72.50 70.86 3gut s THR 164 CO 0.20 -0.66 0.00 1.33 -0.69 0.00 0.00 174.62 174.79 3gut n VAL 165 N 4.93 0.00 -4.74 3.82 0.24 0.27 -0.96 118.33 121.89 3gut n VAL 165 Ca -0.03 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.03 3gut n VAL 165 Cb 0.42 -0.94 -0.15 0.00 -1.47 0.00 0.00 33.84 31.70 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 2.01 1.29 1.01 7.34 0.52 -1.26 0.24 118.95 130.10 3gut s ARG 166 Ca 0.00 -0.58 -0.11 0.00 -0.52 0.00 0.00 55.73 54.51 3gut s ARG 166 Cb 0.00 -1.25 0.20 0.00 0.52 0.00 0.00 34.95 34.41 3gut s ARG 166 CO 0.00 0.34 1.08 0.16 0.02 0.00 0.00 175.30 176.91 3gut s ASP 167 N -0.41 2.28 0.59 0.23 1.47 -1.19 -4.79 116.67 114.86 3gut s ASP 167 Ca 0.06 1.74 0.29 0.00 1.18 0.00 0.00 52.55 55.82 3gut s ASP 167 Cb -0.06 -2.36 1.36 0.00 -0.34 0.00 0.00 42.92 41.51 3gut s ASP 167 CO -0.01 -3.42 1.75 1.55 0.68 0.00 0.00 175.17 175.72 3gut h PRO 168 N -2.09 0.00 0.52 2.11 0.13 -1.98 -1.71 132.00 128.98 3gut h PRO 168 Ca -0.52 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.59 3gut h PRO 168 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 3gut h PRO 168 CO 0.48 0.00 -0.39 0.00 -0.23 0.00 0.00 178.00 177.86 3gut h ALA 169 N 1.23 -0.93 0.00 -0.56 0.00 -2.04 -3.48 119.26 113.48 3gut h ALA 169 Ca 0.29 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3gut h ALA 169 Cb 1.62 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.93 3gut h ALA 169 CO -0.00 -1.05 0.00 0.41 0.00 0.00 0.00 179.25 178.61 3gut n GLY 170 N -1.51 2.23 3.72 0.00 0.00 -0.64 -5.13 105.19 103.85 3gut n GLY 170 Ca -0.12 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 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 4.54 0.11 1.61 6.06 -1.26 -4.81 118.95 125.21 3gut s ARG 171 Ca 0.00 1.55 -0.31 0.00 -2.50 0.00 0.00 55.73 54.46 3gut s ARG 171 Cb 0.00 -3.40 -0.17 0.00 0.06 0.00 0.00 34.95 31.43 3gut s ARG 171 CO 0.00 -0.07 0.71 -2.30 -2.50 0.00 0.00 175.30 171.14 3gut n PRO 172 N 3.66 0.00 -3.93 5.12 -0.02 -1.26 -3.18 135.00 135.39 3gut n PRO 172 Ca 0.06 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.25 3gut n PRO 172 Cb 0.49 -1.15 -0.16 0.00 -0.02 0.00 0.00 33.50 32.67 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 1.69 2.07 -0.19 2.45 2.96 0.65 -4.76 118.68 123.56 3gut s LEU 173 Ca 0.71 -0.89 -0.27 0.00 -0.22 0.00 0.00 54.13 53.46 3gut s LEU 173 Cb -1.02 -1.07 -0.01 0.00 0.50 0.00 0.00 46.19 44.60 3gut s LEU 173 CO 0.54 -0.20 0.91 -0.22 -1.32 0.00 0.00 176.35 176.06 3gut s LEU 174 N 1.51 4.15 0.96 -0.68 2.96 -1.26 -0.57 118.68 125.74 3gut s LEU 174 Ca -0.02 1.25 -0.15 0.00 -0.22 0.00 0.00 54.13 54.99 3gut s LEU 174 Cb -0.17 -3.35 0.21 0.00 0.50 0.00 0.00 46.19 43.38 3gut s LEU 174 CO -0.07 -0.50 1.32 -0.76 -1.32 0.00 0.00 176.35 175.01 3gut s LEU 175 N 2.56 2.75 0.23 -0.68 1.43 -0.36 -4.98 118.68 119.63 3gut s LEU 175 Ca 0.41 0.17 -0.30 0.00 -1.03 0.00 0.00 54.13 53.37 3gut s LEU 175 Cb -0.16 -2.18 -0.09 0.00 0.03 0.00 0.00 46.19 43.79 3gut s LEU 175 CO 0.10 -2.77 1.02 0.28 0.23 0.00 0.00 176.35 175.22 3gut s THR 176 N -3.88 3.89 -0.01 5.49 -1.32 -1.26 -4.69 115.64 113.87 3gut s THR 176 Ca 0.75 1.82 -0.30 0.00 -1.21 0.00 0.00 61.69 62.75 3gut s THR 176 Cb -0.03 -4.16 -0.06 0.00 -1.51 0.00 0.00 72.50 66.74 3gut s THR 176 CO 0.53 0.40 1.55 -2.16 -2.21 0.00 0.00 174.62 172.73 3gut s PRO 177 N -1.02 4.22 -0.18 7.08 0.04 -1.26 -4.76 135.00 139.12 3gut s PRO 177 Ca 0.44 2.13 -0.03 0.00 0.04 0.00 0.00 61.00 63.58 3gut s PRO 177 Cb -0.28 -3.72 -0.02 0.00 0.04 0.00 0.00 34.50 30.52 3gut s PRO 177 CO 0.35 -0.72 -0.05 0.54 0.04 0.00 0.00 177.00 177.17 3gut s VAL 178 N 3.05 3.55 0.37 -0.36 0.11 -1.05 -4.99 120.40 121.09 3gut s VAL 178 Ca 0.69 -0.46 -0.02 0.00 -2.93 0.00 0.00 61.98 59.26 3gut s VAL 178 Cb -0.34 -2.57 -0.04 0.00 -1.53 0.00 0.00 36.38 31.90 3gut s VAL 178 CO 0.29 0.46 0.62 -0.76 -3.33 0.00 0.00 175.10 172.37 3gut s LEU 179 N 0.87 3.92 0.26 2.54 1.02 -1.26 -2.81 118.68 123.22 3gut s LEU 179 Ca -0.01 0.64 0.09 0.00 0.02 0.00 0.00 54.13 54.87 3gut s LEU 179 Cb -0.15 -3.52 -0.04 0.00 0.02 0.00 0.00 46.19 42.50 3gut s LEU 179 CO 0.01 -0.35 -0.00 -0.94 0.02 0.00 0.00 176.35 175.09 3gut s SER 180 N -3.87 4.56 0.89 2.29 1.04 -1.21 -4.94 113.70 112.46 3gut s SER 180 Ca 0.43 -0.64 -0.11 0.00 0.48 0.00 0.00 55.95 56.11 3gut s SER 180 Cb -0.10 -0.85 0.12 0.00 0.10 0.00 0.00 66.02 65.29 3gut s SER 180 CO 0.37 0.00 1.11 0.00 0.98 0.00 0.00 173.24 175.70 3gut n HIS 181 N -0.89 0.80 -1.47 5.02 1.44 -1.26 -4.63 115.22 114.23 3gut n HIS 181 Ca -0.06 0.39 -0.33 0.00 -2.01 0.00 0.00 57.72 55.70 3gut n HIS 181 Cb 0.59 -2.01 0.08 0.00 0.12 0.00 0.00 29.99 28.77 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 -4.41 2.28 -0.05 -1.40 0.04 -1.26 -4.74 135.00 125.46 3gut s PRO 182 Ca 0.68 1.59 0.02 0.00 0.04 0.00 0.00 61.00 63.33 3gut s PRO 182 Cb -0.25 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 3gut s PRO 182 CO 0.57 -1.69 -0.08 0.42 0.04 0.00 0.00 177.00 176.25 3gut s ILE 183 N -2.21 3.60 -0.02 0.56 -1.09 -0.69 -4.58 121.20 116.78 3gut s ILE 183 Ca 0.70 -0.58 0.07 0.00 -2.23 0.00 0.00 60.65 58.62 3gut s ILE 183 Cb -0.25 -2.48 -0.02 0.00 -1.58 0.00 0.00 42.46 38.12 3gut s ILE 183 CO 0.45 0.55 -0.24 -0.36 -1.23 0.00 0.00 174.94 174.12 3gut s PHE 184 N -0.84 2.39 -0.07 3.97 0.08 0.11 -1.97 117.98 121.66 3gut s PHE 184 Ca 0.13 -0.39 -0.30 0.00 0.12 0.00 0.00 56.93 56.50 3gut s PHE 184 Cb -0.11 -1.51 -0.04 0.00 -0.57 0.00 0.00 43.02 40.79 3gut s PHE 184 CO 0.03 0.01 1.40 0.34 -0.10 0.00 0.00 175.22 176.90 3gut s ASP 185 N -0.70 6.86 0.00 1.36 2.15 0.93 -4.55 116.67 122.72 3gut s ASP 185 Ca 0.10 1.99 0.00 0.00 0.43 0.00 0.00 52.55 55.07 3gut s ASP 185 Cb -0.10 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 3gut s ASP 185 CO -0.00 -0.77 0.91 -3.20 -0.17 0.00 0.00 175.17 171.94 3gut n ASN 186 N 6.11 2.47 -0.07 -0.34 5.15 -1.25 -3.42 115.26 123.91 3gut n ASN 186 Ca 0.14 -1.57 -0.07 0.00 -0.60 0.00 0.00 54.58 52.48 3gut n ASN 186 Cb 0.44 -0.51 -0.02 0.00 -0.53 0.00 0.00 39.78 39.16 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 1.53 0.42 -2.44 1.20 0.63 -1.26 -4.87 116.66 111.88 3gut n ARG 187 Ca 0.00 0.17 -0.42 0.00 -0.92 0.00 0.00 57.85 56.67 3gut n ARG 187 Cb 0.25 -1.22 -0.02 0.00 0.45 0.00 0.00 32.46 31.92 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 -2.83 2.95 0.11 5.13 0.00 -1.22 -4.90 121.76 121.01 3gut s ALA 188 Ca -0.23 -0.52 0.06 0.00 0.00 0.00 0.00 51.96 51.28 3gut s ALA 188 Cb 0.03 -4.02 0.32 0.00 0.00 0.00 0.00 23.12 19.46 3gut s ALA 188 CO 0.34 -2.64 0.98 -2.30 0.00 0.00 0.00 175.76 172.14 3gut n PRO 189 N 8.34 0.05 0.00 0.00 -0.02 -1.26 -2.22 135.00 139.89 3gut n PRO 189 Ca 0.13 0.47 0.08 0.00 -2.02 0.00 0.00 63.50 62.16 3gut n PRO 189 Cb 0.49 -2.14 0.44 0.00 -0.02 0.00 0.00 33.50 32.26 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 -1.81 0.00 0.00 2.55 0.23 -1.26 -3.43 115.26 111.54 3gut n ASN 190 Ca -0.00 -0.18 0.00 0.00 -0.53 0.00 0.00 54.58 53.87 3gut n ASN 190 Cb 0.51 -0.17 0.00 0.00 -2.08 0.00 0.00 39.78 38.04 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 -1.17 0.00 -0.91 5.53 -2.24 -0.94 -5.11 114.28 109.44 3gut n THR 191 Ca 0.10 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.58 3gut n THR 191 Cb 0.10 0.02 0.02 0.00 -2.10 0.00 0.00 70.33 68.37 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 -0.40 -3.49 -2.34 6.98 0.00 -1.22 -4.92 120.51 115.12 3gut n ALA 192 Ca 0.00 -1.07 -0.39 0.00 0.00 0.00 0.00 53.44 51.98 3gut n ALA 192 Cb 0.02 -0.60 -0.06 0.00 0.00 0.00 0.00 19.45 18.81 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 -1.91 4.34 -0.18 0.00 2.12 -1.26 -5.04 118.70 116.77 3gut s GLU 193 Ca 0.27 0.84 -0.27 0.00 0.36 0.00 0.00 54.97 56.17 3gut s GLU 193 Cb 0.08 -3.30 -0.01 0.00 0.26 0.00 0.00 34.13 31.17 3gut s GLU 193 CO 0.50 0.47 0.90 -0.51 -0.54 0.00 0.00 175.26 176.09 3gut s LEU 194 N -0.59 4.16 -0.01 2.70 1.02 -1.26 -4.89 118.68 119.80 3gut s LEU 194 Ca 0.32 1.26 0.00 0.00 0.02 0.00 0.00 54.13 55.73 3gut s LEU 194 Cb -0.20 -3.35 0.02 0.00 0.02 0.00 0.00 46.19 42.69 3gut s LEU 194 CO 0.20 -0.48 0.02 -0.75 0.02 0.00 0.00 176.35 175.36 3gut s LYS 195 N 2.43 -0.00 -0.21 1.70 2.20 -1.26 -4.30 119.74 120.30 3gut s LYS 195 Ca 0.41 0.11 -0.13 0.00 -0.36 0.00 0.00 55.97 56.00 3gut s LYS 195 Cb -0.16 -0.18 -0.04 0.00 -1.51 0.00 0.00 37.83 35.93 3gut s LYS 195 CO 0.11 -0.10 0.28 0.42 -0.36 0.00 0.00 175.35 175.69 3gut s ILE 196 N 0.68 5.29 -0.18 5.43 1.01 -1.26 -2.06 121.20 130.10 3gut s ILE 196 Ca -0.06 0.45 -0.15 0.00 0.00 0.00 0.00 60.65 60.89 3gut s ILE 196 Cb -0.08 -3.61 -0.07 0.00 0.01 0.00 0.00 42.46 38.71 3gut s ILE 196 CO -0.02 0.31 -0.27 0.00 0.00 0.00 0.00 174.94 174.97 3gut s ARG 198 N -2.64 0.90 -0.14 0.00 0.52 -0.97 -4.98 118.95 111.65 3gut s ARG 198 Ca -0.26 -1.30 -0.04 0.00 -0.52 0.00 0.00 55.73 53.61 3gut s ARG 198 Cb 0.05 -0.45 0.07 0.00 0.52 0.00 0.00 34.95 35.13 3gut s ARG 198 CO 0.39 0.05 0.24 0.08 0.02 0.00 0.00 175.30 176.08 3gut s VAL 199 N -3.07 -0.38 -0.43 3.52 1.01 -1.26 -1.88 120.40 117.90 3gut s VAL 199 Ca 0.11 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.32 3gut s VAL 199 Cb 0.01 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.93 3gut s VAL 199 CO -0.01 0.07 0.49 -0.46 0.00 0.00 0.00 175.10 175.19 3gut n ASN 200 N 5.34 1.34 0.00 3.32 6.94 -1.00 -4.68 115.26 126.53 3gut n ASN 200 Ca -0.06 -1.26 0.00 0.00 -0.02 0.00 0.00 54.58 53.25 3gut n ASN 200 Cb 0.50 -0.31 0.00 0.00 -2.36 0.00 0.00 39.78 37.60 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 0.47 0.00 -1.09 -3.83 0.63 -1.26 -4.87 116.66 106.71 3gut n ARG 201 Ca 0.00 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 56.97 3gut n ARG 201 Cb 0.25 0.00 0.06 0.00 0.45 0.00 0.00 32.46 33.22 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 1.05 -3.72 6.15 2.04 -1.26 -4.98 115.26 114.54 3gut n ASN 202 Ca 0.00 -2.44 -0.13 0.00 -0.44 0.00 0.00 54.58 51.58 3gut n ASN 202 Cb 0.00 -0.34 -0.10 0.00 -2.53 0.00 0.00 39.78 36.81 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 -2.13 -0.45 0.11 0.53 0.15 -1.26 -0.95 113.70 109.69 3gut s SER 203 Ca 0.29 0.85 -0.26 0.00 0.70 0.00 0.00 55.95 57.54 3gut s SER 203 Cb 0.32 0.84 0.08 0.00 -1.71 0.00 0.00 66.02 65.55 3gut s SER 203 CO -0.11 -0.16 1.10 -0.83 1.20 0.00 0.00 173.24 174.44 3gut s GLY 204 N 0.47 -0.14 0.67 9.45 0.00 -1.16 -4.97 107.32 111.64 3gut s GLY 204 Ca -0.02 0.08 -0.17 0.00 0.00 0.00 0.00 44.72 44.60 3gut s GLY 204 CO -0.02 1.53 1.13 -1.26 0.00 0.00 0.00 173.10 174.48 3gut n SER 205 N -0.81 1.30 0.11 1.64 2.88 -1.26 -0.32 113.62 117.16 3gut n SER 205 Ca -0.04 0.76 -0.03 0.00 -1.33 0.00 0.00 58.87 58.23 3gut n SER 205 Cb 0.60 -1.48 0.18 0.00 -0.75 0.00 0.00 64.21 62.76 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 -3.90 0.00 0.00 0.00 4.77 -1.26 0.11 117.00 116.71 3gut n LEU 207 Ca -0.02 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 3gut n LEU 207 Cb 0.57 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3gut n LEU 207 CO 0.43 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 3gut n GLY 208 N -0.22 -0.11 2.09 -0.72 0.00 -0.85 -4.26 105.19 101.12 3gut n GLY 208 Ca 0.06 -1.04 -0.02 0.00 0.00 0.00 0.00 46.02 45.02 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 0.56 3.81 -0.02 0.00 0.25 -4.77 105.19 105.02 3gut n GLY 209 Ca 0.00 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.74 7.06 -0.06 1.61 1.01 -1.26 -4.70 116.67 117.59 3gut s ASP 210 Ca 0.00 1.29 -0.28 0.00 0.71 0.00 0.00 52.55 54.27 3gut s ASP 210 Cb 0.00 -2.37 -0.03 0.00 1.01 0.00 0.00 42.92 41.54 3gut s ASP 210 CO 0.00 0.22 0.90 -0.70 0.21 0.00 0.00 175.17 175.80 3gut s GLU 211 N -1.33 4.47 -0.03 8.23 2.12 -1.26 -1.37 118.70 129.53 3gut s GLU 211 Ca 0.32 1.23 0.01 0.00 0.36 0.00 0.00 54.97 56.89 3gut s GLU 211 Cb -0.19 -3.49 0.02 0.00 0.26 0.00 0.00 34.13 30.73 3gut s GLU 211 CO 0.20 -0.11 -0.05 0.42 -0.54 0.00 0.00 175.26 175.18 3gut s ILE 212 N 1.30 0.50 -0.07 -3.70 -1.09 0.21 -4.95 121.20 113.40 3gut s ILE 212 Ca 0.46 -0.15 -0.04 0.00 -2.23 0.00 0.00 60.65 58.68 3gut s ILE 212 Cb -0.19 -0.50 -0.04 0.00 -1.58 0.00 0.00 42.46 40.15 3gut s ILE 212 CO 0.22 0.20 0.14 -0.36 -1.23 0.00 0.00 174.94 173.90 3gut s PHE 213 N 0.62 3.52 -0.19 3.97 0.40 -1.26 -0.25 117.98 124.78 3gut s PHE 213 Ca -0.08 0.41 -0.04 0.00 -0.60 0.00 0.00 56.93 56.62 3gut s PHE 213 Cb -0.11 -1.87 0.10 0.00 0.51 0.00 0.00 43.02 41.64 3gut s PHE 213 CO 0.00 0.67 0.32 -1.17 0.70 0.00 0.00 175.22 175.73 3gut s LEU 214 N -1.40 -0.42 -0.04 -0.37 0.20 -0.14 -2.38 118.68 114.13 3gut s LEU 214 Ca 0.20 0.35 -0.18 0.00 0.69 0.00 0.00 54.13 55.19 3gut s LEU 214 Cb -0.12 0.87 -0.05 0.00 -0.43 0.00 0.00 46.19 46.45 3gut s LEU 214 CO 0.10 -0.28 0.49 -0.76 -0.29 0.00 0.00 176.35 175.61 3gut s LEU 215 N 2.47 4.38 0.00 -0.68 1.43 -0.79 -1.09 118.68 124.40 3gut s LEU 215 Ca 0.06 0.97 0.01 0.00 -1.03 0.00 0.00 54.13 54.14 3gut s LEU 215 Cb -0.14 -2.73 -0.00 0.00 0.03 0.00 0.00 46.19 43.34 3gut s LEU 215 CO -0.12 0.14 0.23 0.00 0.23 0.00 0.00 176.35 176.82 3gut s ASP 217 N -2.28 6.68 -0.39 0.00 1.11 -0.87 -4.57 116.67 116.34 3gut s ASP 217 Ca 0.19 1.45 -0.39 0.00 0.18 0.00 0.00 52.55 53.98 3gut s ASP 217 Cb 0.00 -2.45 -0.17 0.00 1.07 0.00 0.00 42.92 41.37 3gut s ASP 217 CO 0.14 -0.45 1.30 0.29 1.18 0.00 0.00 175.17 177.63 3gut n LYS 218 N -1.18 0.00 -4.37 8.23 5.02 -1.23 -4.79 118.16 119.84 3gut n LYS 218 Ca 0.05 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.16 3gut n LYS 218 Cb 0.54 -1.25 -0.10 0.00 -0.02 0.00 0.00 35.03 34.20 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 2.33 1.02 -0.14 -0.18 -7.23 -0.78 -4.93 120.40 110.50 3gut s VAL 219 Ca 0.87 -2.02 -0.07 0.00 -1.81 0.00 0.00 61.98 58.94 3gut s VAL 219 Cb -1.24 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 33.13 3gut s VAL 219 CO 0.67 -0.17 0.12 -1.10 -0.31 0.00 0.00 175.10 174.31 3gut s GLN 220 N -3.89 3.60 0.45 4.82 -1.52 -1.26 -4.61 119.66 117.25 3gut s GLN 220 Ca 0.32 -0.18 0.22 0.00 -1.95 0.00 0.00 55.36 53.78 3gut s GLN 220 Cb 0.07 -3.21 1.06 0.00 -0.22 0.00 0.00 33.01 30.71 3gut s GLN 220 CO 0.12 0.64 1.91 1.57 -0.25 0.00 0.00 175.29 179.28 3gut h LYS 221 N 5.46 0.00 -0.00 2.91 2.10 -1.95 -2.85 116.57 122.24 3gut h LYS 221 Ca -0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 3gut h LYS 221 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 3gut h LYS 221 CO 0.62 0.23 -0.33 0.39 -2.00 0.00 0.00 179.45 178.37 3gut n GLU 222 N -3.65 0.07 -3.19 0.07 4.71 -1.26 -4.26 120.64 113.13 3gut n GLU 222 Ca -0.01 -0.03 -0.22 0.00 -0.01 0.00 0.00 57.16 56.89 3gut n GLU 222 Cb 0.36 -1.50 -0.05 0.00 -1.01 0.00 0.00 31.44 29.24 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 -1.44 1.26 -3.48 1.62 2.03 -1.08 -5.04 116.55 110.42 3gut n ASP 223 Ca 0.07 -3.00 -0.13 0.00 0.52 0.00 0.00 54.79 52.25 3gut n ASP 223 Cb 0.33 -0.63 -0.04 0.00 -0.72 0.00 0.00 41.12 40.07 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 -2.14 0.00 -0.26 5.18 1.10 -1.23 -4.51 121.20 119.33 3gut s ILE 224 Ca 0.39 0.00 -0.28 0.00 -0.51 0.00 0.00 60.65 60.25 3gut s ILE 224 Cb 0.25 -1.00 0.17 0.00 0.15 0.00 0.00 42.46 42.03 3gut s ILE 224 CO -0.09 0.00 1.27 -1.83 -2.11 0.00 0.00 174.94 172.18 3gut s GLU 225 N -2.58 0.22 -0.49 3.50 -1.05 -0.96 -4.94 118.70 112.40 3gut s GLU 225 Ca -0.02 0.12 -0.26 0.00 -0.15 0.00 0.00 54.97 54.66 3gut s GLU 225 Cb -0.01 0.10 0.03 0.00 -0.44 0.00 0.00 34.13 33.82 3gut s GLU 225 CO -0.04 -0.05 0.98 0.08 0.95 0.00 0.00 175.26 177.18 3gut s VAL 226 N -0.61 4.38 -0.64 1.83 1.01 -1.26 -1.14 120.40 123.97 3gut s VAL 226 Ca 0.06 0.75 -0.20 0.00 0.00 0.00 0.00 61.98 62.58 3gut s VAL 226 Cb -0.02 -4.51 0.10 0.00 0.00 0.00 0.00 36.38 31.95 3gut s VAL 226 CO -0.08 -0.96 0.81 -0.47 0.00 0.00 0.00 175.10 174.40 3gut s TYR 227 N 4.00 2.92 -0.78 5.22 5.04 0.10 -1.79 117.35 132.07 3gut s TYR 227 Ca 0.38 -0.89 -0.23 0.00 -2.44 0.00 0.00 57.07 53.89 3gut s TYR 227 Cb -0.10 -4.11 0.07 0.00 0.35 0.00 0.00 41.96 38.17 3gut s TYR 227 CO 0.26 -1.41 1.13 -0.06 -1.34 0.00 0.00 175.55 174.13 3gut s PHE 228 N 3.04 2.64 0.04 4.97 0.40 -0.98 -1.57 117.98 126.53 3gut s PHE 228 Ca 0.16 -0.63 -0.07 0.00 -0.60 0.00 0.00 56.93 55.79 3gut s PHE 228 Cb -0.20 -4.43 -0.05 0.00 0.51 0.00 0.00 43.02 38.85 3gut s PHE 228 CO 0.06 -1.76 0.31 -0.08 0.70 0.00 0.00 175.22 174.45 3gut s THR 229 N 4.32 5.24 0.03 0.64 -1.32 0.50 -2.23 115.64 122.83 3gut s THR 229 Ca 0.30 0.18 0.00 0.00 -1.21 0.00 0.00 61.69 60.97 3gut s THR 229 Cb -0.10 -3.60 -0.00 0.00 -1.51 0.00 0.00 72.50 67.29 3gut s THR 229 CO 0.05 0.29 0.03 0.61 -2.21 0.00 0.00 174.62 173.39 3gut n GLY 230 N 0.88 3.55 3.55 6.08 0.00 -1.16 0.27 105.19 118.38 3gut n GLY 230 Ca -0.09 -1.56 -0.40 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.10 2.93 -0.84 1.61 0.04 -1.26 -3.30 135.00 132.08 3gut s PRO 231 Ca 0.03 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.26 3gut s PRO 231 Cb 0.00 -4.28 0.00 0.00 0.04 0.00 0.00 34.50 30.26 3gut s PRO 231 CO 0.02 -2.42 0.00 0.41 0.04 0.00 0.00 177.00 175.05 3gut n GLY 232 N 5.53 0.93 3.49 0.56 0.00 -1.26 -4.98 105.19 109.46 3gut n GLY 232 Ca 0.12 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.10 2.21 -0.30 1.61 -0.00 -1.21 -5.15 118.94 114.01 3gut s TRP 233 Ca 0.00 -0.59 -0.17 0.00 -0.00 0.00 0.00 56.10 55.35 3gut s TRP 233 Cb 0.00 -1.26 0.19 0.00 -0.00 0.00 0.00 33.47 32.40 3gut s TRP 233 CO 0.00 0.45 1.20 -2.00 -0.00 0.00 0.00 176.95 176.61 3gut s GLU 234 N -3.66 0.11 0.17 5.86 2.12 -1.26 -2.96 118.70 119.08 3gut s GLU 234 Ca 0.31 0.22 0.02 0.00 0.36 0.00 0.00 54.97 55.88 3gut s GLU 234 Cb 0.03 0.06 -0.01 0.00 0.26 0.00 0.00 34.13 34.48 3gut s GLU 234 CO 0.14 -0.03 0.19 0.00 -0.54 0.00 0.00 175.26 175.02 3gut n ALA 235 N 3.69 0.14 -2.64 6.30 0.00 -0.95 -5.05 120.51 122.00 3gut n ALA 235 Ca -0.14 -0.91 -0.09 0.00 0.00 0.00 0.00 53.44 52.30 3gut n ALA 235 Cb 0.56 0.74 -0.10 0.00 0.00 0.00 0.00 19.45 20.65 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 -2.56 0.54 0.37 0.00 0.52 -1.26 -2.32 118.95 114.24 3gut s ARG 236 Ca 0.18 -0.82 -0.18 0.00 -0.52 0.00 0.00 55.73 54.38 3gut s ARG 236 Cb 0.00 0.20 -0.10 0.00 0.52 0.00 0.00 34.95 35.58 3gut s ARG 236 CO 0.13 -0.12 0.83 0.20 0.02 0.00 0.00 175.30 176.36 3gut s GLY 237 N -2.17 2.38 -0.22 -3.53 0.00 -0.74 -3.85 107.32 99.19 3gut s GLY 237 Ca -0.05 0.21 -0.17 0.00 0.00 0.00 0.00 44.72 44.72 3gut s GLY 237 CO -0.05 0.45 0.44 -0.56 0.00 0.00 0.00 173.10 173.39 3gut s SER 238 N -2.20 6.44 -0.21 1.64 0.01 0.53 -4.71 113.70 115.21 3gut s SER 238 Ca 0.57 0.53 -0.29 0.00 1.31 0.00 0.00 55.95 58.07 3gut s SER 238 Cb -0.10 -2.25 0.14 0.00 0.21 0.00 0.00 66.02 64.02 3gut s SER 238 CO 0.16 -0.15 1.09 0.72 0.41 0.00 0.00 173.24 175.47 3gut s PHE 239 N 1.64 -0.30 0.40 2.43 -0.71 -1.26 -1.55 117.98 118.62 3gut s PHE 239 Ca 0.20 0.57 -0.16 0.00 -1.04 0.00 0.00 56.93 56.50 3gut s PHE 239 Cb -0.15 0.45 -0.09 0.00 -1.21 0.00 0.00 43.02 42.02 3gut s PHE 239 CO 0.09 -0.25 0.85 -1.12 -1.34 0.00 0.00 175.22 173.44 3gut s SER 240 N -0.86 6.75 0.64 1.98 0.01 -1.26 -4.92 113.70 116.04 3gut s SER 240 Ca 0.01 1.43 0.34 0.00 1.31 0.00 0.00 55.95 59.04 3gut s SER 240 Cb -0.01 -2.44 1.88 0.00 0.21 0.00 0.00 66.02 65.66 3gut s SER 240 CO -0.02 -0.35 2.11 1.56 0.41 0.00 0.00 173.24 176.94 3gut h GLN 241 N 1.74 0.00 0.00 12.44 4.20 -1.97 0.41 115.11 131.93 3gut h GLN 241 Ca -0.48 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.23 3gut h GLN 241 Cb 1.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.96 3gut h GLN 241 CO 0.63 0.00 -0.08 0.00 -0.67 0.00 0.00 178.83 178.71 3gut h ALA 242 N 1.66 0.96 -0.02 3.87 0.00 -1.94 -3.08 119.26 120.70 3gut h ALA 242 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3gut h ALA 242 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3gut h ALA 242 CO -0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 3gut n ASP 243 N -2.64 0.59 -4.49 0.00 8.00 0.14 -4.56 116.55 113.59 3gut n ASP 243 Ca 0.05 -1.27 -0.43 0.00 0.71 0.00 0.00 54.79 53.85 3gut n ASP 243 Cb 0.48 -0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.53 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 -1.98 4.43 -0.11 2.53 1.01 -1.17 -2.32 120.40 122.80 3gut s VAL 244 Ca 0.41 -0.02 -0.22 0.00 0.00 0.00 0.00 61.98 62.16 3gut s VAL 244 Cb 0.20 -4.55 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 3gut s VAL 244 CO 0.33 -1.18 0.65 -2.28 0.00 0.00 0.00 175.10 172.61 3gut s HIS 245 N 3.82 3.52 -0.22 5.22 2.46 0.19 -4.46 115.29 125.82 3gut s HIS 245 Ca 0.26 1.12 -0.03 0.00 0.47 0.00 0.00 55.06 56.88 3gut s HIS 245 Cb -0.15 -2.76 0.03 0.00 -0.13 0.00 0.00 32.58 29.57 3gut s HIS 245 CO 0.15 0.04 0.07 0.54 -2.47 0.00 0.00 174.74 173.07 3gut n ARG 246 N 4.07 -1.72 -0.95 2.88 3.00 -1.26 -0.09 116.66 122.58 3gut n ARG 246 Ca -0.02 0.02 0.00 0.00 -0.01 0.00 0.00 57.85 57.83 3gut n ARG 246 Cb 0.51 -2.25 0.00 0.00 0.00 0.00 0.00 32.46 30.72 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 -1.47 -1.01 0.00 5.56 6.02 -1.26 -4.77 117.38 120.44 3gut n GLN 247 Ca 0.01 0.25 0.00 0.00 -0.01 0.00 0.00 57.00 57.26 3gut n GLN 247 Cb 0.24 -4.12 0.00 0.00 1.02 0.00 0.00 30.24 27.38 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 -2.34 0.00 -4.19 5.09 0.24 0.87 -1.86 118.33 116.14 3gut n VAL 248 Ca 0.00 -0.18 -0.16 0.00 -2.04 0.00 0.00 64.34 61.96 3gut n VAL 248 Cb 0.25 0.66 -0.13 0.00 -1.47 0.00 0.00 33.84 33.16 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 -1.33 0.74 -0.04 2.33 0.00 -0.49 0.18 121.76 123.15 3gut s ALA 249 Ca 0.00 -0.64 0.05 0.00 0.00 0.00 0.00 51.96 51.37 3gut s ALA 249 Cb 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 3gut s ALA 249 CO 0.00 0.10 -0.19 0.42 0.00 0.00 0.00 175.76 176.08 3gut s ILE 250 N -0.85 1.60 -0.26 0.00 -1.09 -0.25 0.54 121.20 120.89 3gut s ILE 250 Ca -0.03 -0.82 0.02 0.00 -2.23 0.00 0.00 60.65 57.59 3gut s ILE 250 Cb -0.07 -1.36 0.06 0.00 -1.58 0.00 0.00 42.46 39.51 3gut s ILE 250 CO 0.01 0.45 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.40 3gut s VAL 251 N -0.11 1.94 0.28 2.92 1.01 -0.98 -0.96 120.40 124.50 3gut s VAL 251 Ca -0.01 -1.53 0.03 0.00 0.00 0.00 0.00 61.98 60.47 3gut s VAL 251 Cb -0.11 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 3gut s VAL 251 CO 0.02 -0.09 0.18 0.72 0.00 0.00 0.00 175.10 175.93 3gut s PHE 252 N 1.20 1.51 0.08 5.22 -0.71 0.66 -4.81 117.98 121.12 3gut s PHE 252 Ca -0.07 -1.44 0.06 0.00 -1.04 0.00 0.00 56.93 54.44 3gut s PHE 252 Cb -0.20 -0.73 -0.04 0.00 -1.21 0.00 0.00 43.02 40.84 3gut s PHE 252 CO -0.06 -0.64 -0.11 1.03 -1.34 0.00 0.00 175.22 174.10 3gut s ARG 253 N -3.83 2.18 -0.44 1.99 0.52 -0.60 0.67 118.95 119.44 3gut s ARG 253 Ca 0.38 -0.97 -0.29 0.00 -0.52 0.00 0.00 55.73 54.33 3gut s ARG 253 Cb 0.05 -2.32 0.02 0.00 0.52 0.00 0.00 34.95 33.23 3gut s ARG 253 CO 0.18 0.53 1.22 0.95 0.02 0.00 0.00 175.30 178.20 3gut s THR 254 N -1.14 4.14 1.03 0.02 -4.23 -0.47 -0.35 115.64 114.64 3gut s THR 254 Ca 0.20 1.18 -0.17 0.00 -1.18 0.00 0.00 61.69 61.72 3gut s THR 254 Cb -0.11 -4.46 0.02 0.00 1.34 0.00 0.00 72.50 69.29 3gut s THR 254 CO 0.11 -0.88 -0.07 -0.81 -0.54 0.00 0.00 174.62 172.43 3gut n PRO 255 N 7.82 -0.73 -2.94 3.99 -0.04 -1.25 0.87 135.00 142.72 3gut n PRO 255 Ca 0.13 -0.19 -0.38 0.00 -0.04 0.00 0.00 63.50 63.03 3gut n PRO 255 Cb 0.48 -1.62 -0.06 0.00 -0.04 0.00 0.00 33.50 32.27 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 -3.22 4.49 0.80 0.54 0.02 -1.26 -3.99 135.00 132.39 3gut s PRO 256 Ca 0.53 1.14 -0.11 0.00 0.02 0.00 0.00 61.00 62.58 3gut s PRO 256 Cb -0.14 -2.99 0.07 0.00 0.02 0.00 0.00 34.50 31.47 3gut s PRO 256 CO 0.69 0.41 1.09 -0.47 -0.33 0.00 0.00 177.00 178.39 3gut s TYR 257 N -1.43 2.55 0.25 6.54 5.04 0.30 -4.89 117.35 125.71 3gut s TYR 257 Ca 0.43 1.45 -0.04 0.00 -2.44 0.00 0.00 57.07 56.47 3gut s TYR 257 Cb -0.20 -3.07 0.42 0.00 0.35 0.00 0.00 41.96 39.46 3gut s TYR 257 CO 0.24 -1.93 1.80 0.00 -1.34 0.00 0.00 175.55 174.32 3gut h ALA 258 N -1.22 1.18 -2.20 3.97 0.00 -1.96 -3.36 119.26 115.67 3gut h ALA 258 Ca -0.45 0.05 -0.75 0.00 0.00 0.00 0.00 54.91 53.76 3gut h ALA 258 Cb 1.25 -0.10 -0.23 0.00 0.00 0.00 0.00 17.79 18.71 3gut h ALA 258 CO 0.53 0.04 -0.26 0.34 0.00 0.00 0.00 179.25 179.90 3gut s ASP 259 N -5.56 6.17 0.00 0.00 2.15 -1.26 -4.93 116.67 113.24 3gut s ASP 259 Ca -0.12 -1.51 0.12 0.00 0.43 0.00 0.00 52.55 51.47 3gut s ASP 259 Cb 0.20 -2.20 0.73 0.00 -0.30 0.00 0.00 42.92 41.35 3gut s ASP 259 CO 0.78 -0.75 1.45 -0.81 -0.17 0.00 0.00 175.17 175.66 3gut n PRO 260 N 5.28 0.97 -0.09 4.34 -0.04 -1.26 -3.25 135.00 140.95 3gut n PRO 260 Ca -0.13 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.37 3gut n PRO 260 Cb 0.42 -1.20 0.06 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.70 1.72 -3.26 3.54 7.64 -1.26 -4.84 113.62 116.46 3gut n SER 261 Ca 0.09 -2.36 -0.40 0.00 1.01 0.00 0.00 58.87 57.21 3gut n SER 261 Cb 0.04 -0.20 -0.04 0.00 -1.01 0.00 0.00 64.21 62.99 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 -0.79 -0.37 -0.11 -3.43 7.94 -1.20 -4.88 117.00 114.16 3gut n LEU 262 Ca 0.07 0.84 -0.15 0.00 -1.11 0.00 0.00 56.01 55.66 3gut n LEU 262 Cb 0.49 -0.68 -0.11 0.00 0.53 0.00 0.00 43.42 43.65 3gut n LEU 262 CO 0.00 -1.71 -1.23 1.67 -1.11 0.00 0.00 177.39 175.02 3gut n GLN 263 N 0.95 0.64 -4.39 1.96 -0.06 -1.26 -4.49 117.38 110.73 3gut n GLN 263 Ca 0.14 0.11 -0.29 0.00 -2.00 0.00 0.00 57.00 54.97 3gut n GLN 263 Cb 0.11 -1.46 -0.13 0.00 -4.06 0.00 0.00 30.24 24.70 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 -2.46 2.38 0.39 1.69 0.00 -1.26 -4.83 121.76 117.67 3gut s ALA 264 Ca -0.28 -1.47 -0.26 0.00 0.00 0.00 0.00 51.96 49.95 3gut s ALA 264 Cb 0.08 -0.38 -0.11 0.00 0.00 0.00 0.00 23.12 22.71 3gut s ALA 264 CO 0.56 0.54 1.13 -2.30 0.00 0.00 0.00 175.76 175.68 3gut n PRO 265 N 0.90 1.64 -4.08 0.00 -0.02 -1.26 -4.86 135.00 127.32 3gut n PRO 265 Ca -0.18 0.58 -0.22 0.00 -2.02 0.00 0.00 63.50 61.66 3gut n PRO 265 Cb 0.53 -2.16 -0.17 0.00 -0.02 0.00 0.00 33.50 31.68 3gut n PRO 265 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3gut s VAL 266 N -1.20 0.61 0.34 -1.45 0.11 -1.16 -5.02 120.40 112.64 3gut s VAL 266 Ca 0.61 -0.12 -0.26 0.00 -2.93 0.00 0.00 61.98 59.28 3gut s VAL 266 Cb -0.56 -0.66 -0.09 0.00 -1.53 0.00 0.00 36.38 33.54 3gut s VAL 266 CO 0.58 0.26 1.05 -0.13 -3.33 0.00 0.00 175.10 173.53 3gut s ARG 267 N 1.24 4.41 0.01 1.54 1.81 -1.26 -1.92 118.95 124.78 3gut s ARG 267 Ca -0.06 1.60 -0.09 0.00 -1.72 0.00 0.00 55.73 55.46 3gut s ARG 267 Cb -0.14 -2.84 0.01 0.00 -0.45 0.00 0.00 34.95 31.53 3gut s ARG 267 CO -0.02 0.07 0.18 0.08 -0.68 0.00 0.00 175.30 174.93 3gut s VAL 268 N -1.45 0.09 -0.00 3.52 1.01 0.31 -4.95 120.40 118.93 3gut s VAL 268 Ca 0.51 -0.72 -0.23 0.00 0.00 0.00 0.00 61.98 61.55 3gut s VAL 268 Cb -0.25 -0.59 -0.05 0.00 0.00 0.00 0.00 36.38 35.48 3gut s VAL 268 CO 0.32 -0.40 0.68 -0.55 0.00 0.00 0.00 175.10 175.16 3gut s SER 269 N -1.57 7.06 -0.05 3.32 0.15 0.14 -0.71 113.70 122.05 3gut s SER 269 Ca -0.12 1.27 0.03 0.00 0.70 0.00 0.00 55.95 57.83 3gut s SER 269 Cb -0.05 -2.41 0.01 0.00 -1.71 0.00 0.00 66.02 61.85 3gut s SER 269 CO 0.01 0.01 -0.12 -0.32 1.20 0.00 0.00 173.24 174.02 3gut s MET 270 N 0.12 1.58 0.17 5.44 0.00 -1.03 0.19 119.30 125.77 3gut s MET 270 Ca 0.35 -0.43 -0.21 0.00 0.00 0.00 0.00 55.69 55.40 3gut s MET 270 Cb -0.19 -1.34 0.06 0.00 0.00 0.00 0.00 34.83 33.36 3gut s MET 270 CO 0.19 0.08 0.58 1.14 0.00 0.00 0.00 175.02 177.02 3gut s GLN 271 N 0.47 1.32 0.15 4.11 -2.07 -0.61 -0.78 119.66 122.25 3gut s GLN 271 Ca -0.11 -0.59 -0.30 0.00 -1.82 0.00 0.00 55.36 52.55 3gut s GLN 271 Cb -0.14 0.57 -0.07 0.00 -1.09 0.00 0.00 33.01 32.28 3gut s GLN 271 CO 0.03 -0.57 1.02 -0.51 -1.32 0.00 0.00 175.29 173.94 3gut s LEU 272 N -2.79 4.51 -0.10 2.60 1.02 -1.26 0.01 118.68 122.67 3gut s LEU 272 Ca 0.03 1.95 -0.01 0.00 0.02 0.00 0.00 54.13 56.12 3gut s LEU 272 Cb -0.01 -3.60 0.03 0.00 0.02 0.00 0.00 46.19 42.63 3gut s LEU 272 CO -0.10 -0.11 -0.04 -0.60 0.02 0.00 0.00 176.35 175.51 3gut s ARG 273 N -0.29 1.15 -0.50 1.70 3.52 -0.29 -0.59 118.95 123.65 3gut s ARG 273 Ca 0.47 -0.14 -0.19 0.00 -0.13 0.00 0.00 55.73 55.74 3gut s ARG 273 Cb -0.26 -1.39 0.05 0.00 -1.56 0.00 0.00 34.95 31.79 3gut s ARG 273 CO 0.32 -0.30 0.64 0.50 -0.81 0.00 0.00 175.30 175.66 3gut s ARG 274 N 1.81 3.15 0.21 5.12 3.52 -0.54 -2.27 118.95 129.94 3gut s ARG 274 Ca 0.05 -0.81 -0.11 0.00 -0.13 0.00 0.00 55.73 54.73 3gut s ARG 274 Cb -0.13 -4.08 0.28 0.00 -1.56 0.00 0.00 34.95 29.46 3gut s ARG 274 CO -0.07 -1.21 1.69 -1.35 -0.81 0.00 0.00 175.30 173.54 3gut h PRO 275 N 9.00 0.18 0.00 5.12 0.11 -1.87 0.28 132.00 144.82 3gut h PRO 275 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3gut h PRO 275 Cb 1.09 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3gut h PRO 275 CO 0.96 0.12 0.04 -1.13 -0.21 0.00 0.00 178.00 177.78 3gut n SER 276 N -5.20 0.00 0.00 -2.05 3.41 -1.26 -3.02 113.62 105.50 3gut n SER 276 Ca 0.09 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 3gut n SER 276 Cb 0.33 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 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 -1.28 0.00 0.00 4.04 5.68 -1.00 -5.02 116.55 118.98 3gut n ASP 277 Ca 0.00 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.29 3gut n ASP 277 Cb 0.04 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 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 -1.38 0.11 1.74 0.95 -4.96 116.66 113.12 3gut n ARG 278 Ca 0.00 0.00 -0.46 0.00 -0.77 0.00 0.00 57.85 56.62 3gut n ARG 278 Cb 0.45 -2.77 -0.02 0.00 -1.02 0.00 0.00 32.46 29.10 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 0.00 -4.16 5.56 4.07 -1.17 -4.62 120.64 118.31 3gut n GLU 279 Ca 0.00 0.00 -0.17 0.00 -0.06 0.00 0.00 57.16 56.94 3gut n GLU 279 Cb 0.00 -1.00 -0.15 0.00 -0.06 0.00 0.00 31.44 30.23 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 3.32 1.88 1.06 4.31 1.43 -1.26 -1.46 118.68 127.96 3gut s LEU 280 Ca 0.63 -0.10 -0.17 0.00 -1.03 0.00 0.00 54.13 53.46 3gut s LEU 280 Cb -0.86 -0.30 0.23 0.00 0.03 0.00 0.00 46.19 45.29 3gut s LEU 280 CO 0.58 0.04 1.24 -0.94 0.23 0.00 0.00 176.35 177.50 3gut s SER 281 N 0.06 2.23 0.03 2.29 1.04 0.24 -4.93 113.70 114.66 3gut s SER 281 Ca -0.00 0.41 -0.30 0.00 0.48 0.00 0.00 55.95 56.54 3gut s SER 281 Cb -0.04 -0.54 -0.05 0.00 0.10 0.00 0.00 66.02 65.49 3gut s SER 281 CO -0.00 -3.29 1.24 -0.70 0.98 0.00 0.00 173.24 171.47 3gut s GLU 282 N -5.70 4.38 0.61 4.02 2.12 -1.26 -4.64 118.70 118.23 3gut s GLU 282 Ca 0.73 1.80 -0.18 0.00 0.36 0.00 0.00 54.97 57.67 3gut s GLU 282 Cb -0.06 -3.43 -0.05 0.00 0.26 0.00 0.00 34.13 30.86 3gut s GLU 282 CO 0.54 -0.36 0.92 -0.35 -0.54 0.00 0.00 175.26 175.47 3gut n PRO 283 N 4.46 0.83 -4.56 4.30 -0.04 -1.26 -4.81 135.00 133.92 3gut n PRO 283 Ca 0.10 0.32 -0.27 0.00 -0.04 0.00 0.00 63.50 63.62 3gut n PRO 283 Cb 0.46 -2.13 -0.17 0.00 -0.04 0.00 0.00 33.50 31.62 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 -2.74 2.05 0.14 0.54 -1.94 0.04 -4.95 119.30 112.44 3gut s MET 284 Ca 0.76 -0.51 -0.31 0.00 -1.71 0.00 0.00 55.69 53.91 3gut s MET 284 Cb -0.41 -1.72 -0.10 0.00 2.01 0.00 0.00 34.83 34.61 3gut s MET 284 CO 0.47 -0.01 1.63 -1.21 -0.01 0.00 0.00 175.02 175.89 3gut s GLU 285 N 0.83 4.19 -0.04 2.03 8.01 -1.26 -2.45 118.70 130.01 3gut s GLU 285 Ca -0.10 2.41 0.05 0.00 0.01 0.00 0.00 54.97 57.33 3gut s GLU 285 Cb -0.15 -3.30 -0.00 0.00 -4.31 0.00 0.00 34.13 26.36 3gut s GLU 285 CO 0.01 -0.68 -0.18 0.12 0.01 0.00 0.00 175.26 174.54 3gut s PHE 286 N 1.69 1.77 -0.42 1.61 2.19 0.12 -4.84 117.98 120.10 3gut s PHE 286 Ca 0.73 -0.50 0.02 0.00 0.33 0.00 0.00 56.93 57.51 3gut s PHE 286 Cb -0.44 -1.19 0.11 0.00 -1.31 0.00 0.00 43.02 40.20 3gut s PHE 286 CO 0.32 -0.16 0.16 -1.14 1.83 0.00 0.00 175.22 176.23 3gut s GLN 287 N -0.01 1.78 0.92 10.12 0.74 -0.13 0.11 119.66 133.20 3gut s GLN 287 Ca -0.03 -2.08 -0.11 0.00 0.05 0.00 0.00 55.36 53.19 3gut s GLN 287 Cb -0.11 -3.35 0.11 0.00 1.10 0.00 0.00 33.01 30.76 3gut s GLN 287 CO 0.02 -1.02 0.92 0.66 -0.55 0.00 0.00 175.29 175.32 3gut n TYR 288 N 4.01 0.16 -3.95 1.67 4.01 -0.81 -3.01 117.16 119.24 3gut n TYR 288 Ca 0.03 0.35 -0.10 0.00 -0.16 0.00 0.00 57.90 58.03 3gut n TYR 288 Cb 0.39 -1.94 -0.07 0.00 -0.31 0.00 0.00 39.34 37.42 3gut n TYR 288 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3gut s LEU 289 N -4.86 0.91 0.03 7.72 1.43 0.57 -2.97 118.68 121.51 3gut s LEU 289 Ca 0.64 -0.85 -0.14 0.00 -1.03 0.00 0.00 54.13 52.75 3gut s LEU 289 Cb -0.23 1.25 -0.06 0.00 0.03 0.00 0.00 46.19 47.18 3gut s LEU 289 CO 0.61 -0.90 0.43 -2.16 0.23 0.00 0.00 176.35 174.55 3gut s PRO 290 N -3.96 3.91 0.00 1.29 0.04 -1.26 0.71 135.00 135.73 3gut s PRO 290 Ca 0.17 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.61 3gut s PRO 290 Cb 0.03 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.41 3gut s PRO 290 CO -0.00 0.65 0.40 -0.25 0.04 0.00 0.00 177.00 177.84