#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m7t s VAL 2 N 0.00 3.67 -0.05 2.03 1.01 -1.23 -3.88 120.40 121.94 1m7t s VAL 2 Ca 0.00 -1.13 -0.02 0.00 0.00 0.00 0.00 61.98 60.84 1m7t s VAL 2 Cb 0.00 -2.73 0.04 0.00 0.00 0.00 0.00 36.38 33.69 1m7t s VAL 2 CO 0.00 0.13 0.09 -1.59 0.00 0.00 0.00 175.10 173.73 1m7t s LYS 3 N -2.22 -0.00 -0.16 2.72 -2.85 -1.23 -4.99 119.74 111.01 1m7t s LYS 3 Ca 0.23 0.35 -0.29 0.00 -1.00 0.00 0.00 55.97 55.26 1m7t s LYS 3 Cb -0.11 -0.30 -0.00 0.00 -2.06 0.00 0.00 37.83 35.36 1m7t s LYS 3 CO 0.15 -0.23 1.03 -1.14 0.10 0.00 0.00 175.35 175.26 1m7t s GLN 4 N 1.59 4.35 -0.36 1.78 2.00 -1.26 -2.40 119.66 125.36 1m7t s GLN 4 Ca -0.03 1.39 -0.11 0.00 -2.00 0.00 0.00 55.36 54.60 1m7t s GLN 4 Cb -0.12 -3.59 0.01 0.00 0.80 0.00 0.00 33.01 30.11 1m7t s GLN 4 CO -0.04 -0.47 0.20 0.42 -0.50 0.00 0.00 175.29 174.91 1m7t s ILE 5 N 2.57 4.70 -1.29 -2.34 1.09 -0.67 -4.94 121.20 120.31 1m7t s ILE 5 Ca 0.47 -0.67 0.18 0.00 -1.10 0.00 0.00 60.65 59.52 1m7t s ILE 5 Cb -0.17 -3.54 0.67 0.00 -1.06 0.00 0.00 42.46 38.36 1m7t s ILE 5 CO 0.13 -0.14 1.57 -0.62 -0.10 0.00 0.00 174.94 175.77 1m7t n GLU 6 N 5.02 3.44 -3.66 2.79 1.02 -1.26 -4.16 120.64 123.83 1m7t n GLU 6 Ca -0.12 -2.66 -0.14 0.00 -0.02 0.00 0.00 57.16 54.22 1m7t n GLU 6 Cb 0.47 -1.82 -0.08 0.00 -0.02 0.00 0.00 31.44 29.99 1m7t n GLU 6 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1m7t s SER 7 N -0.88 -0.61 0.61 1.62 0.01 -1.26 -4.54 113.70 108.64 1m7t s SER 7 Ca 0.48 1.15 0.32 0.00 1.31 0.00 0.00 55.95 59.21 1m7t s SER 7 Cb 0.30 1.16 1.87 0.00 0.21 0.00 0.00 66.02 69.56 1m7t s SER 7 CO 0.24 -0.24 2.20 0.50 0.41 0.00 0.00 173.24 176.35 1m7t h LYS 8 N 5.04 0.00 0.05 12.44 3.64 -1.91 0.14 116.57 135.97 1m7t h LYS 8 Ca -0.28 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 58.87 1m7t h LYS 8 Cb 1.17 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1m7t h LYS 8 CO 0.15 0.00 -1.05 1.15 -2.27 0.00 0.00 179.45 177.43 1m7t h THR 9 N 0.00 1.53 -0.51 1.00 2.02 -2.00 -3.10 112.91 111.84 1m7t h THR 9 Ca 0.03 -2.92 -0.11 0.00 0.77 0.00 0.00 66.41 64.18 1m7t h THR 9 Cb 0.24 2.72 -0.02 0.00 -1.74 0.00 0.00 68.15 69.35 1m7t h THR 9 CO -0.00 0.85 -0.13 0.00 0.37 0.00 0.00 175.52 176.61 1m7t h ALA 10 N 0.79 0.80 -0.39 6.16 0.00 -1.18 -2.01 119.26 123.43 1m7t h ALA 10 Ca -0.08 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.51 1m7t h ALA 10 Cb 1.75 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 19.31 1m7t h ALA 10 CO 0.16 0.66 0.18 0.35 0.00 0.00 0.00 179.25 180.61 1m7t h PHE 11 N 0.87 0.33 -0.67 0.00 3.57 -1.28 0.64 116.94 120.39 1m7t h PHE 11 Ca 0.13 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 1m7t h PHE 11 Cb 0.68 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 1m7t h PHE 11 CO 0.04 0.16 0.23 1.96 -2.23 0.00 0.00 178.31 178.48 1m7t h GLN 12 N 0.37 1.01 -0.01 1.11 1.08 -1.46 -1.64 115.11 115.56 1m7t h GLN 12 Ca 0.17 -0.19 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1m7t h GLN 12 Cb 0.10 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 27.36 1m7t h GLN 12 CO -0.13 0.85 -0.01 0.93 -0.95 0.00 0.00 178.83 179.51 1m7t h GLU 13 N 0.98 -0.01 -0.17 1.46 5.08 -0.48 -0.85 114.58 120.59 1m7t h GLU 13 Ca 0.22 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.52 1m7t h GLU 13 Cb 0.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1m7t h GLU 13 CO -0.01 -0.01 -0.16 0.00 -1.00 0.00 0.00 179.01 177.83 1m7t h ALA 14 N 1.00 1.41 -0.38 3.43 0.00 -0.72 -2.76 119.26 121.23 1m7t h ALA 14 Ca 0.01 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1m7t h ALA 14 Cb 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1m7t h ALA 14 CO -0.02 0.41 -0.13 -0.07 0.00 0.00 0.00 179.25 179.44 1m7t h LEU 15 N 0.27 0.78 -1.79 0.00 3.38 -0.90 -2.17 115.31 114.88 1m7t h LEU 15 Ca 0.05 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 1m7t h LEU 15 Cb 0.45 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1m7t h LEU 15 CO 0.03 0.98 0.07 -0.78 0.09 0.00 0.00 178.44 178.83 1m7t h ASP 16 N 0.57 0.18 1.44 -0.43 1.82 -0.89 0.13 116.42 119.25 1m7t h ASP 16 Ca 0.09 -0.01 -0.04 0.00 -0.39 0.00 0.00 57.03 56.69 1m7t h ASP 16 Cb 0.66 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.62 1m7t h ASP 16 CO 0.04 0.16 -0.18 0.00 -1.61 0.00 0.00 179.24 177.66 1m7t h ALA 17 N 1.87 0.93 0.00 -0.78 0.00 -1.24 -3.07 119.26 116.97 1m7t h ALA 17 Ca 0.06 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1m7t h ALA 17 Cb 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1m7t h ALA 17 CO -0.01 0.22 -0.42 0.00 0.00 0.00 0.00 179.25 179.04 1m7t h ALA 18 N 1.82 1.23 -0.89 0.00 0.00 -0.10 -3.48 119.26 117.85 1m7t h ALA 18 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1m7t h ALA 18 Cb 0.95 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1m7t h ALA 18 CO 0.02 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.21 1m7t n GLY 19 N -0.21 3.73 0.84 0.00 0.00 -1.12 -0.76 105.19 107.67 1m7t n GLY 19 Ca -0.02 0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.09 1m7t n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1m7t n ASP 20 N 5.85 2.45 -4.84 1.61 5.68 -1.26 -3.94 116.55 122.09 1m7t n ASP 20 Ca 0.00 -1.96 -0.32 0.00 -0.50 0.00 0.00 54.79 52.00 1m7t n ASP 20 Cb 0.00 -0.28 -0.04 0.00 -1.14 0.00 0.00 41.12 39.66 1m7t n ASP 20 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1m7t s LYS 21 N -1.43 3.96 -0.06 0.11 1.02 0.06 -4.81 119.74 118.57 1m7t s LYS 21 Ca 0.32 0.93 -0.30 0.00 0.02 0.00 0.00 55.97 56.94 1m7t s LYS 21 Cb 0.17 -2.16 -0.02 0.00 -0.52 0.00 0.00 37.83 35.29 1m7t s LYS 21 CO 0.22 -0.23 1.07 -1.17 -0.92 0.00 0.00 175.35 174.33 1m7t s LEU 22 N -3.98 4.28 -0.34 3.17 2.96 -1.26 -4.51 118.68 119.00 1m7t s LEU 22 Ca 0.58 1.66 -0.06 0.00 -0.22 0.00 0.00 54.13 56.10 1m7t s LEU 22 Cb -0.10 -3.56 0.05 0.00 0.50 0.00 0.00 46.19 43.08 1m7t s LEU 22 CO 0.30 -0.46 0.11 -0.69 -1.32 0.00 0.00 176.35 174.29 1m7t s VAL 23 N 1.85 3.67 -0.29 1.68 1.01 -0.70 -0.91 120.40 126.71 1m7t s VAL 23 Ca 0.52 -1.24 -0.09 0.00 0.00 0.00 0.00 61.98 61.17 1m7t s VAL 23 Cb -0.21 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 1m7t s VAL 23 CO 0.21 -0.22 0.13 0.54 0.00 0.00 0.00 175.10 175.76 1m7t s VAL 24 N 1.37 4.50 -0.04 2.92 0.11 -1.10 0.12 120.40 128.28 1m7t s VAL 24 Ca -0.01 -0.35 0.06 0.00 -2.93 0.00 0.00 61.98 58.74 1m7t s VAL 24 Cb -0.20 -3.24 -0.01 0.00 -1.53 0.00 0.00 36.38 31.40 1m7t s VAL 24 CO 0.02 0.15 -0.21 0.68 -3.33 0.00 0.00 175.10 172.41 1m7t s VAL 25 N 1.61 1.68 -0.20 2.04 -7.23 0.31 -3.53 120.40 115.08 1m7t s VAL 25 Ca 0.05 -0.87 -0.09 0.00 -1.81 0.00 0.00 61.98 59.25 1m7t s VAL 25 Cb -0.16 -1.42 -0.05 0.00 0.56 0.00 0.00 36.38 35.31 1m7t s VAL 25 CO 0.05 0.48 0.11 -0.62 -0.31 0.00 0.00 175.10 174.81 1m7t s ASP 26 N -0.20 6.05 -0.45 4.85 -1.08 -1.22 0.11 116.67 124.72 1m7t s ASP 26 Ca 0.00 0.18 -0.17 0.00 -0.52 0.00 0.00 52.55 52.05 1m7t s ASP 26 Cb -0.11 -2.06 0.04 0.00 -1.46 0.00 0.00 42.92 39.33 1m7t s ASP 26 CO 0.02 0.17 0.44 -0.36 0.52 0.00 0.00 175.17 175.96 1m7t s PHE 27 N 0.40 3.18 0.00 -5.34 0.40 0.19 -2.86 117.98 113.95 1m7t s PHE 27 Ca 0.07 -0.58 0.00 0.00 -0.60 0.00 0.00 56.93 55.82 1m7t s PHE 27 Cb -0.11 -3.05 0.00 0.00 0.51 0.00 0.00 43.02 40.37 1m7t s PHE 27 CO -0.01 -0.77 0.00 -1.13 0.70 0.00 0.00 175.22 174.00 1m7t n SER 28 N 5.55 1.91 -3.71 1.36 3.41 -1.16 -2.17 113.62 118.81 1m7t n SER 28 Ca -0.09 -0.66 -0.12 0.00 -0.26 0.00 0.00 58.87 57.73 1m7t n SER 28 Cb 0.46 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.34 1m7t n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1m7t s ALA 29 N -2.00 -0.87 0.17 7.33 0.00 -1.26 -2.52 121.76 122.61 1m7t s ALA 29 Ca 0.00 0.21 -0.07 0.00 0.00 0.00 0.00 51.96 52.09 1m7t s ALA 29 Cb 0.00 0.30 0.06 0.00 0.00 0.00 0.00 23.12 23.48 1m7t s ALA 29 CO 0.00 -0.42 1.53 1.15 0.00 0.00 0.00 175.76 178.02 1m7t h THR 30 N 3.17 1.28 -0.17 0.00 2.02 -2.01 -2.67 112.91 114.53 1m7t h THR 30 Ca -0.31 -1.52 0.00 0.00 0.77 0.00 0.00 66.41 65.35 1m7t h THR 30 Cb 1.20 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.99 1m7t h THR 30 CO 0.44 0.50 0.00 -2.67 0.37 0.00 0.00 175.52 174.16 1m7t n TRP 31 N -4.06 0.36 -4.05 3.16 4.27 -1.26 -4.85 117.44 111.01 1m7t n TRP 31 Ca -0.02 -0.15 -0.34 0.00 -3.89 0.00 0.00 57.50 53.11 1m7t n TRP 31 Cb 0.52 -0.08 -0.07 0.00 -1.36 0.00 0.00 31.31 30.32 1m7t n TRP 31 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1m7t n GLY 33 N 1.31 -0.51 0.45 0.00 0.00 -1.26 -4.38 105.19 100.80 1m7t n GLY 33 Ca -0.14 -0.05 0.27 0.00 0.00 0.00 0.00 46.02 46.10 1m7t n GLY 33 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1m7t h PRO 34 N -0.18 0.00 -0.60 1.61 0.11 -1.98 -0.08 132.00 130.89 1m7t h PRO 34 Ca 0.00 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.14 1m7t h PRO 34 Cb 0.16 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.23 1m7t h PRO 34 CO 0.00 0.00 0.36 0.00 -0.21 0.00 0.00 178.00 178.15 1m7t h LYS 36 N 0.70 0.00 0.00 0.00 1.57 -1.21 -2.64 116.57 114.98 1m7t h LYS 36 Ca 0.24 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 1m7t h LYS 36 Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1m7t h LYS 36 CO -0.11 0.23 -0.05 0.52 -0.57 0.00 0.00 179.45 179.47 1m7t h MET 37 N 0.00 0.00 0.00 3.15 2.86 -1.20 -2.45 114.93 117.29 1m7t h MET 37 Ca -0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1m7t h MET 37 Cb 0.59 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.25 1m7t h MET 37 CO 0.03 0.05 -0.73 0.82 1.06 0.00 0.00 176.91 178.15 1m7t h ILE 38 N 0.00 0.08 -0.16 -1.22 1.08 -1.37 -3.37 117.51 112.55 1m7t h ILE 38 Ca -0.00 -1.14 0.05 0.00 -0.39 0.00 0.00 64.86 63.38 1m7t h ILE 38 Cb 0.46 1.73 -0.06 0.00 -3.07 0.00 0.00 36.82 35.87 1m7t h ILE 38 CO 0.01 0.05 -0.26 0.50 -0.69 0.00 0.00 178.15 177.76 1m7t h LYS 39 N 0.00 -0.30 -0.62 2.37 3.64 -1.48 0.56 116.57 120.75 1m7t h LYS 39 Ca -0.01 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.51 1m7t h LYS 39 Cb 1.07 0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 32.85 1m7t h LYS 39 CO 0.01 -0.20 0.02 -1.35 -2.27 0.00 0.00 179.45 175.66 1m7t h PRO 40 N -0.31 0.13 0.03 1.90 0.11 -1.72 0.20 132.00 132.34 1m7t h PRO 40 Ca 0.11 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 66.00 1m7t h PRO 40 Cb 0.47 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.54 1m7t h PRO 40 CO -0.34 0.09 -0.99 0.74 -0.21 0.00 0.00 178.00 177.29 1m7t h PHE 41 N 0.13 0.21 -0.08 0.65 0.04 -1.65 -2.46 116.94 113.78 1m7t h PHE 41 Ca 0.32 -0.14 -0.02 0.00 2.80 0.00 0.00 57.97 60.94 1m7t h PHE 41 Cb 0.52 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.65 1m7t h PHE 41 CO -0.35 1.03 -0.02 0.35 -0.60 0.00 0.00 178.31 178.73 1m7t h PHE 42 N 0.05 0.16 -0.46 -0.55 3.57 0.95 -2.00 116.94 118.66 1m7t h PHE 42 Ca -0.05 -0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.31 1m7t h PHE 42 Cb 1.69 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 40.37 1m7t h PHE 42 CO 0.02 0.46 -0.14 1.25 -2.23 0.00 0.00 178.31 177.67 1m7t h HIS 43 N -0.18 0.97 -0.42 0.41 2.76 -0.72 -2.72 115.15 115.24 1m7t h HIS 43 Ca 0.02 -0.20 -0.01 0.00 -2.20 0.00 0.00 60.37 57.98 1m7t h HIS 43 Cb 0.41 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.11 1m7t h HIS 43 CO 0.05 0.95 0.23 1.03 -1.30 0.00 0.00 177.93 178.89 1m7t h SER 44 N 0.77 0.53 -0.88 3.26 0.87 -1.41 -2.51 113.55 114.18 1m7t h SER 44 Ca 0.12 -0.09 0.01 0.00 -1.23 0.00 0.00 61.79 60.60 1m7t h SER 44 Cb 0.67 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.45 1m7t h SER 44 CO 0.05 0.47 0.58 -0.07 -0.53 0.00 0.00 176.83 177.33 1m7t h LEU 45 N 0.55 1.00 -2.09 2.23 3.38 -1.27 -0.11 115.31 118.99 1m7t h LEU 45 Ca 0.15 -0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.19 1m7t h LEU 45 Cb 0.06 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1m7t h LEU 45 CO -0.02 0.72 0.32 0.77 0.09 0.00 0.00 178.44 180.31 1m7t h SER 46 N 1.17 0.00 1.12 -0.43 4.64 -1.13 0.75 113.55 119.67 1m7t h SER 46 Ca 0.33 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.56 1m7t h SER 46 Cb -0.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 1m7t h SER 46 CO -0.08 0.00 -0.93 -0.33 -0.87 0.00 0.00 176.83 174.63 1m7t h GLU 47 N 0.00 0.00 -0.70 4.77 5.08 -0.95 -3.27 114.58 119.51 1m7t h GLU 47 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1m7t h GLU 47 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1m7t h GLU 47 CO -0.00 0.22 0.00 1.17 -1.00 0.00 0.00 179.01 179.40 1m7t n LYS 48 N -2.93 2.91 -3.69 2.33 4.81 0.23 -4.71 118.16 117.11 1m7t n LYS 48 Ca -0.03 -2.63 -0.30 0.00 -0.87 0.00 0.00 58.31 54.49 1m7t n LYS 48 Cb 0.70 -1.64 -0.14 0.00 0.02 0.00 0.00 35.03 33.98 1m7t n LYS 48 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1m7t s TYR 49 N -1.24 1.73 -0.32 5.64 1.51 0.74 -5.01 117.35 120.40 1m7t s TYR 49 Ca 0.48 -2.10 -0.04 0.00 -1.01 0.00 0.00 57.07 54.41 1m7t s TYR 49 Cb 0.27 -1.70 0.01 0.00 -0.11 0.00 0.00 41.96 40.43 1m7t s TYR 49 CO 0.31 -0.82 2.81 0.43 -1.11 0.00 0.00 175.55 177.16 1m7t n SER 50 N 4.03 6.17 0.00 2.29 7.64 -1.26 -3.89 113.62 128.60 1m7t n SER 50 Ca 0.06 -3.00 0.00 0.00 1.01 0.00 0.00 58.87 56.93 1m7t n SER 50 Cb 0.37 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 1m7t n SER 50 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1m7t n ASN 51 N 1.16 0.00 -4.89 6.43 5.15 -1.26 -5.13 115.26 116.71 1m7t n ASN 51 Ca 0.43 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 54.10 1m7t n ASN 51 Cb 0.63 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.83 1m7t n ASN 51 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1m7t s VAL 52 N -1.00 5.05 -0.27 3.44 -7.23 -1.25 -4.25 120.40 114.89 1m7t s VAL 52 Ca 0.00 0.21 -0.11 0.00 -1.81 0.00 0.00 61.98 60.26 1m7t s VAL 52 Cb 0.00 -3.64 -0.05 0.00 0.56 0.00 0.00 36.38 33.25 1m7t s VAL 52 CO 0.00 -0.06 0.21 -0.51 -0.31 0.00 0.00 175.10 174.43 1m7t s ILE 53 N -1.78 5.30 -0.30 -0.62 1.10 -0.09 -4.82 121.20 119.98 1m7t s ILE 53 Ca 0.44 0.23 -0.10 0.00 -0.51 0.00 0.00 60.65 60.70 1m7t s ILE 53 Cb -0.11 -3.55 -0.02 0.00 0.15 0.00 0.00 42.46 38.92 1m7t s ILE 53 CO 0.24 0.26 0.17 -0.36 -2.11 0.00 0.00 174.94 173.13 1m7t s PHE 54 N 1.67 3.19 0.17 3.50 0.40 -1.25 -2.71 117.98 122.94 1m7t s PHE 54 Ca 0.08 -0.30 0.04 0.00 -0.60 0.00 0.00 56.93 56.15 1m7t s PHE 54 Cb -0.16 -2.37 -0.05 0.00 0.51 0.00 0.00 43.02 40.96 1m7t s PHE 54 CO 0.10 -0.35 -0.07 -0.48 0.70 0.00 0.00 175.22 175.12 1m7t s LEU 55 N 1.67 2.40 -0.17 -0.37 0.05 -1.23 -3.47 118.68 117.56 1m7t s LEU 55 Ca 0.06 -1.08 0.01 0.00 0.05 0.00 0.00 54.13 53.17 1m7t s LEU 55 Cb -0.17 -0.28 0.01 0.00 -2.05 0.00 0.00 46.19 43.70 1m7t s LEU 55 CO 0.08 -0.41 -0.18 -0.70 -0.55 0.00 0.00 176.35 174.60 1m7t s GLU 56 N -3.80 3.08 -0.22 1.48 2.12 -1.01 -3.46 118.70 116.89 1m7t s GLU 56 Ca 0.20 -0.80 -0.02 0.00 0.36 0.00 0.00 54.97 54.71 1m7t s GLU 56 Cb 0.04 -2.61 0.01 0.00 0.26 0.00 0.00 34.13 31.83 1m7t s GLU 56 CO 0.03 -0.14 -0.09 0.08 -0.54 0.00 0.00 175.26 174.60 1m7t s VAL 57 N 1.15 2.86 -0.32 3.70 1.01 -1.13 -1.67 120.40 125.99 1m7t s VAL 57 Ca 0.01 -0.78 -0.18 0.00 0.00 0.00 0.00 61.98 61.03 1m7t s VAL 57 Cb -0.14 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 1m7t s VAL 57 CO -0.08 0.38 0.53 -0.62 0.00 0.00 0.00 175.10 175.31 1m7t s ASP 58 N 1.38 6.37 0.65 3.32 2.15 -1.26 -2.97 116.67 126.31 1m7t s ASP 58 Ca 0.04 0.21 0.38 0.00 0.43 0.00 0.00 52.55 53.60 1m7t s ASP 58 Cb -0.15 -2.28 2.10 0.00 -0.30 0.00 0.00 42.92 42.30 1m7t s ASP 58 CO -0.06 -0.42 2.23 1.62 -0.17 0.00 0.00 175.17 178.37 1m7t h VAL 59 N 5.54 0.11 -0.75 1.11 3.04 -1.76 0.54 116.25 124.08 1m7t h VAL 59 Ca -0.28 0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.35 1m7t h VAL 59 Cb 1.13 0.90 -0.03 0.00 -2.01 0.00 0.00 31.29 31.28 1m7t h VAL 59 CO 0.76 0.00 0.24 -0.78 -1.01 0.00 0.00 177.57 176.78 1m7t h ASP 60 N 0.00 1.08 0.03 3.17 3.58 -1.92 -3.03 116.42 119.33 1m7t h ASP 60 Ca 0.01 -0.20 -0.39 0.00 0.42 0.00 0.00 57.03 56.87 1m7t h ASP 60 Cb 0.22 -0.28 -0.05 0.00 1.72 0.00 0.00 39.33 40.93 1m7t h ASP 60 CO -0.00 0.99 -2.30 0.47 -2.88 0.00 0.00 179.24 175.52 1m7t n ASP 61 N -4.27 2.01 -2.42 2.28 9.92 -0.20 -4.43 116.55 119.44 1m7t n ASP 61 Ca 0.06 0.05 -0.23 0.00 -0.53 0.00 0.00 54.79 54.14 1m7t n ASP 61 Cb 0.22 -0.61 -0.09 0.00 -0.64 0.00 0.00 41.12 39.99 1m7t n ASP 61 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1m7t n ALA 62 N -3.34 6.51 0.51 2.24 0.00 0.17 -4.51 120.51 122.09 1m7t n ALA 62 Ca -0.43 -2.71 0.10 0.00 0.00 0.00 0.00 53.44 50.40 1m7t n ALA 62 Cb 0.97 -2.31 0.40 0.00 0.00 0.00 0.00 19.45 18.51 1m7t n ALA 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1m7t n GLN 63 N 1.64 0.08 0.04 0.00 6.02 -1.14 -2.60 117.38 121.42 1m7t n GLN 63 Ca 0.49 0.29 0.05 0.00 -0.01 0.00 0.00 57.00 57.81 1m7t n GLN 63 Cb 0.65 -1.64 -0.07 0.00 1.02 0.00 0.00 30.24 30.19 1m7t n GLN 63 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1m7t n ASP 64 N -1.79 0.69 -0.07 1.08 9.92 -1.26 -4.25 116.55 120.87 1m7t n ASP 64 Ca 0.03 0.29 -0.14 0.00 -0.53 0.00 0.00 54.79 54.44 1m7t n ASP 64 Cb 0.22 0.55 -0.12 0.00 -0.64 0.00 0.00 41.12 41.13 1m7t n ASP 64 CO 0.00 0.00 0.00 -0.37 0.13 0.00 0.00 177.20 176.96 1m7t h VAL 65 N 0.00 1.51 -0.16 2.53 -1.51 -1.87 -3.36 116.25 113.39 1m7t h VAL 65 Ca -0.11 -2.20 0.05 0.00 -1.23 0.00 0.00 66.70 63.20 1m7t h VAL 65 Cb 1.35 2.92 -0.07 0.00 -2.13 0.00 0.00 31.29 33.37 1m7t h VAL 65 CO 0.02 0.51 -0.41 0.00 -1.23 0.00 0.00 177.57 176.46 1m7t h ALA 66 N -0.16 -0.55 -0.71 5.19 0.00 -1.75 -1.28 119.26 119.98 1m7t h ALA 66 Ca -0.05 0.00 0.21 0.00 0.00 0.00 0.00 54.91 55.07 1m7t h ALA 66 Cb 0.96 0.78 -0.03 0.00 0.00 0.00 0.00 17.79 19.50 1m7t h ALA 66 CO -0.03 -0.91 0.62 -1.35 0.00 0.00 0.00 179.25 177.58 1m7t h PRO 67 N -0.47 0.00 0.00 0.00 0.11 -1.76 0.80 132.00 130.68 1m7t h PRO 67 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1m7t h PRO 67 Cb 0.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.72 1m7t h PRO 67 CO -0.41 0.00 0.00 0.87 -0.21 0.00 0.00 178.00 178.25 1m7t h LYS 68 N 0.00 0.00 -0.00 1.05 1.57 -1.38 -3.14 116.57 114.66 1m7t h LYS 68 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1m7t h LYS 68 Cb 1.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.88 1m7t h LYS 68 CO -0.00 0.00 -0.58 0.66 -0.57 0.00 0.00 179.45 178.96 1m7t n TYR 69 N -2.96 0.00 -3.02 -1.35 4.01 0.24 -5.00 117.16 109.07 1m7t n TYR 69 Ca 0.04 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.63 1m7t n TYR 69 Cb 0.47 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.54 1m7t n TYR 69 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1m7t n GLY 70 N 1.28 -0.01 3.72 2.72 0.00 0.79 -4.99 105.19 108.69 1m7t n GLY 70 Ca 0.03 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1m7t n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1m7t s ILE 71 N -3.10 4.56 -0.41 -0.61 1.01 -1.17 -4.99 121.20 116.49 1m7t s ILE 71 Ca 0.30 1.96 0.06 0.00 0.00 0.00 0.00 60.65 62.98 1m7t s ILE 71 Cb -0.13 -4.26 0.22 0.00 0.01 0.00 0.00 42.46 38.30 1m7t s ILE 71 CO 0.38 0.22 0.50 -1.14 0.00 0.00 0.00 174.94 174.90 1m7t n ARG 72 N 3.38 0.52 0.00 2.79 0.63 -1.26 -4.81 116.66 117.90 1m7t n ARG 72 Ca 0.05 -3.00 0.00 0.00 -0.92 0.00 0.00 57.85 53.98 1m7t n ARG 72 Cb 0.49 -1.41 0.00 0.00 0.45 0.00 0.00 32.46 31.99 1m7t n ARG 72 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1m7t n GLY 73 N 2.03 4.51 3.25 5.14 0.00 -1.26 -5.15 105.19 113.71 1m7t n GLY 73 Ca 0.23 -0.79 -0.17 0.00 0.00 0.00 0.00 46.02 45.29 1m7t n GLY 73 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1m7t s ILE 74 N -1.36 1.32 -0.21 -0.61 -4.36 -1.26 -3.70 121.20 111.01 1m7t s ILE 74 Ca 0.00 -1.87 -0.25 0.00 -0.26 0.00 0.00 60.65 58.27 1m7t s ILE 74 Cb 0.00 -1.67 -0.01 0.00 1.25 0.00 0.00 42.46 42.03 1m7t s ILE 74 CO 0.00 -0.53 0.85 -2.16 0.24 0.00 0.00 174.94 173.33 1m7t s PRO 75 N -3.08 4.23 0.06 0.37 0.04 -1.26 -4.68 135.00 130.68 1m7t s PRO 75 Ca 0.12 1.00 -0.19 0.00 0.04 0.00 0.00 61.00 61.98 1m7t s PRO 75 Cb -0.02 -3.62 -0.07 0.00 0.04 0.00 0.00 34.50 30.84 1m7t s PRO 75 CO 0.03 -0.45 0.55 0.99 0.04 0.00 0.00 177.00 178.16 1m7t s THR 76 N 2.59 4.77 -0.23 1.26 2.01 -0.92 -1.91 115.64 123.20 1m7t s THR 76 Ca 0.37 1.18 -0.04 0.00 0.31 0.00 0.00 61.69 63.52 1m7t s THR 76 Cb -0.16 -3.88 -0.00 0.00 0.01 0.00 0.00 72.50 68.47 1m7t s THR 76 CO 0.09 0.55 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.32 1m7t s LEU 77 N -1.09 3.02 -0.13 4.42 2.96 0.32 0.54 118.68 128.73 1m7t s LEU 77 Ca 0.29 -0.49 -0.02 0.00 -0.22 0.00 0.00 54.13 53.68 1m7t s LEU 77 Cb -0.19 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 1m7t s LEU 77 CO 0.18 -0.05 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.35 1m7t s LEU 78 N 1.46 3.19 -0.10 -0.68 1.43 0.30 -0.24 118.68 124.04 1m7t s LEU 78 Ca 0.05 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 1m7t s LEU 78 Cb -0.15 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 1m7t s LEU 78 CO -0.03 0.22 -0.10 -0.76 0.23 0.00 0.00 176.35 175.91 1m7t s LEU 79 N 0.06 2.97 0.13 1.79 2.01 0.45 0.11 118.68 126.20 1m7t s LEU 79 Ca -0.01 -0.16 0.08 0.00 0.01 0.00 0.00 54.13 54.05 1m7t s LEU 79 Cb -0.14 -1.66 -0.04 0.00 0.01 0.00 0.00 46.19 44.37 1m7t s LEU 79 CO 0.03 0.27 -0.18 -0.36 1.01 0.00 0.00 176.35 177.12 1m7t s PHE 80 N -0.28 1.67 -0.22 0.29 0.40 0.32 0.17 117.98 120.33 1m7t s PHE 80 Ca 0.03 -0.47 -0.03 0.00 -0.60 0.00 0.00 56.93 55.86 1m7t s PHE 80 Cb -0.13 -0.88 0.11 0.00 0.51 0.00 0.00 43.02 42.64 1m7t s PHE 80 CO 0.03 0.23 0.31 0.21 0.70 0.00 0.00 175.22 176.69 1m7t s LYS 81 N -2.36 0.27 -1.10 0.44 2.20 0.66 -1.72 119.74 118.13 1m7t s LYS 81 Ca 0.09 0.41 -0.02 0.00 -0.36 0.00 0.00 55.97 56.10 1m7t s LYS 81 Cb -0.07 -0.77 0.00 0.00 -1.51 0.00 0.00 37.83 35.48 1m7t s LYS 81 CO 0.05 -0.63 0.93 0.09 -0.36 0.00 0.00 175.35 175.43 1m7t n ASN 82 N 5.34 -2.77 0.00 1.43 5.03 -1.25 -1.86 115.26 121.17 1m7t n ASN 82 Ca -0.05 -0.54 0.00 0.00 0.87 0.00 0.00 54.58 54.86 1m7t n ASN 82 Cb 0.50 -4.64 0.00 0.00 -1.02 0.00 0.00 39.78 34.62 1m7t n ASN 82 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1m7t n GLY 83 N -1.26 0.25 3.27 7.41 0.00 -1.26 -4.97 105.19 108.62 1m7t n GLY 83 Ca -0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 1m7t n GLY 83 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1m7t s GLU 84 N -1.06 1.64 0.17 1.61 2.12 -0.78 -5.09 118.70 117.31 1m7t s GLU 84 Ca 0.00 -0.91 -0.33 0.00 0.36 0.00 0.00 54.97 54.09 1m7t s GLU 84 Cb 0.00 -1.69 -0.13 0.00 0.26 0.00 0.00 34.13 32.57 1m7t s GLU 84 CO 0.00 0.45 1.67 1.55 -0.54 0.00 0.00 175.26 178.38 1m7t n VAL 85 N 2.12 0.05 -0.03 3.70 3.14 -1.26 0.24 118.33 126.29 1m7t n VAL 85 Ca -0.16 -0.01 0.05 0.00 -2.96 0.00 0.00 64.34 61.26 1m7t n VAL 85 Cb 0.53 -1.78 -0.14 0.00 -1.06 0.00 0.00 33.84 31.39 1m7t n VAL 85 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1m7t n ALA 86 N 3.91 2.40 -3.56 1.55 0.00 0.44 -4.65 120.51 120.60 1m7t n ALA 86 Ca 0.17 -0.60 -0.07 0.00 0.00 0.00 0.00 53.44 52.94 1m7t n ALA 86 Cb 0.32 -0.50 -0.02 0.00 0.00 0.00 0.00 19.45 19.25 1m7t n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m7t s ALA 87 N -3.05 -1.96 -0.02 0.00 0.00 -1.04 -4.95 121.76 110.74 1m7t s ALA 87 Ca -0.07 1.39 0.02 0.00 0.00 0.00 0.00 51.96 53.30 1m7t s ALA 87 Cb 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1m7t s ALA 87 CO 0.74 -0.58 -0.07 -0.08 0.00 0.00 0.00 175.76 175.78 1m7t s THR 88 N -2.46 0.59 -0.02 0.00 -1.32 -1.26 -0.41 115.64 110.75 1m7t s THR 88 Ca 0.06 -0.26 0.01 0.00 -1.21 0.00 0.00 61.69 60.30 1m7t s THR 88 Cb -0.01 -0.54 0.02 0.00 -1.51 0.00 0.00 72.50 70.46 1m7t s THR 88 CO -0.06 0.19 -0.03 -0.75 -2.21 0.00 0.00 174.62 171.77 1m7t s LYS 89 N 0.23 0.46 0.05 7.08 2.36 0.66 -5.01 119.74 125.58 1m7t s LYS 89 Ca -0.03 -0.05 0.07 0.00 -2.55 0.00 0.00 55.97 53.41 1m7t s LYS 89 Cb -0.08 -0.53 -0.03 0.00 -1.05 0.00 0.00 37.83 36.14 1m7t s LYS 89 CO 0.00 -0.05 -0.18 0.08 1.55 0.00 0.00 175.35 176.76 1m7t s VAL 90 N 0.62 2.83 0.00 4.02 1.01 -1.26 0.12 120.40 127.74 1m7t s VAL 90 Ca -0.07 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 60.69 1m7t s VAL 90 Cb -0.10 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.07 1m7t s VAL 90 CO -0.01 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.00 1m7t n GLY 91 N 1.41 -1.85 3.74 4.51 0.00 -0.80 -4.95 105.19 107.25 1m7t n GLY 91 Ca -0.16 -1.51 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 1m7t n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m7t s ALA 92 N -3.06 2.11 0.02 4.61 0.00 -1.26 -4.71 121.76 119.47 1m7t s ALA 92 Ca 0.00 0.47 -0.17 0.00 0.00 0.00 0.00 51.96 52.25 1m7t s ALA 92 Cb 0.00 -3.34 0.03 0.00 0.00 0.00 0.00 23.12 19.81 1m7t s ALA 92 CO 0.00 -1.90 0.38 -0.48 0.00 0.00 0.00 175.76 173.76 1m7t s LEU 93 N -5.78 0.54 0.00 0.00 2.34 -1.26 -5.08 118.68 109.44 1m7t s LEU 93 Ca 0.65 0.04 -0.18 0.00 0.06 0.00 0.00 54.13 54.70 1m7t s LEU 93 Cb -0.20 1.59 0.27 0.00 -0.56 0.00 0.00 46.19 47.28 1m7t s LEU 93 CO 0.52 -0.59 1.04 -1.20 -1.06 0.00 0.00 176.35 175.06 1m7t n SER 94 N 0.77 -1.65 0.12 1.48 7.64 -1.26 -4.84 113.62 115.88 1m7t n SER 94 Ca -0.19 -1.17 -0.03 0.00 1.01 0.00 0.00 58.87 58.49 1m7t n SER 94 Cb 0.58 -0.92 0.13 0.00 -1.01 0.00 0.00 64.21 62.99 1m7t n SER 94 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1m7t h LYS 95 N 0.00 0.05 0.02 1.43 3.64 -1.99 -2.73 116.57 116.99 1m7t h LYS 95 Ca -0.38 -0.04 -0.21 0.00 -1.27 0.00 0.00 60.65 58.75 1m7t h LYS 95 Cb 1.14 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 1m7t h LYS 95 CO 0.25 0.69 -0.94 0.78 -2.27 0.00 0.00 179.45 177.96 1m7t h GLY 96 N 1.87 0.16 1.57 5.01 0.00 -1.99 -2.31 103.07 107.39 1m7t h GLY 96 Ca -0.01 -0.33 -0.19 0.00 0.00 0.00 0.00 47.33 46.81 1m7t h GLY 96 CO 0.09 0.29 -0.74 1.46 0.00 0.00 0.00 176.54 177.63 1m7t h GLN 97 N 0.07 0.42 -0.10 4.80 4.20 -1.92 -1.02 115.11 121.56 1m7t h GLN 97 Ca -0.05 -0.35 -0.03 0.00 0.06 0.00 0.00 58.65 58.28 1m7t h GLN 97 Cb 1.61 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 29.46 1m7t h GLN 97 CO 0.14 0.99 -0.07 1.25 -0.67 0.00 0.00 178.83 180.47 1m7t h LEU 98 N 0.29 0.23 -0.66 1.46 6.46 -1.53 -1.53 115.31 120.03 1m7t h LEU 98 Ca -0.03 -0.45 -0.00 0.00 -0.12 0.00 0.00 57.88 57.28 1m7t h LEU 98 Cb 1.33 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 41.16 1m7t h LEU 98 CO 0.13 0.63 0.41 0.50 -0.62 0.00 0.00 178.44 179.49 1m7t h LYS 99 N -0.17 0.88 -0.81 1.25 3.64 -1.42 -1.49 116.57 118.45 1m7t h LYS 99 Ca 0.02 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1m7t h LYS 99 Cb 0.56 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 1m7t h LYS 99 CO 0.02 0.62 0.47 1.05 -2.27 0.00 0.00 179.45 179.34 1m7t h GLU 100 N 0.89 1.11 -0.77 1.90 4.11 -1.14 0.12 114.58 120.80 1m7t h GLU 100 Ca 0.24 -0.11 -0.01 0.00 0.07 0.00 0.00 59.36 59.55 1m7t h GLU 100 Cb -0.05 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 28.94 1m7t h GLU 100 CO -0.05 0.80 0.46 0.35 0.07 0.00 0.00 179.01 180.64 1m7t h PHE 101 N 1.12 1.03 0.38 2.06 3.57 -0.75 -0.45 116.94 123.89 1m7t h PHE 101 Ca 0.29 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.76 1m7t h PHE 101 Cb -0.01 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.40 1m7t h PHE 101 CO -0.00 0.70 -0.18 -0.07 -2.23 0.00 0.00 178.31 176.52 1m7t h LEU 102 N 1.06 -0.43 -1.33 0.59 3.38 -0.76 -2.32 115.31 115.49 1m7t h LEU 102 Ca 0.28 -0.13 0.24 0.00 0.09 0.00 0.00 57.88 58.35 1m7t h LEU 102 Cb -0.02 0.11 -0.09 0.00 0.09 0.00 0.00 40.66 40.75 1m7t h LEU 102 CO -0.05 -0.01 0.64 -0.78 0.09 0.00 0.00 178.44 178.33 1m7t h ASP 103 N -0.95 0.50 1.32 -0.43 3.58 -0.71 1.98 116.42 121.71 1m7t h ASP 103 Ca -0.05 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1m7t h ASP 103 Cb 0.54 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1m7t h ASP 103 CO 0.09 0.14 0.00 0.00 -2.88 0.00 0.00 179.24 176.58 1m7t h ALA 104 N 1.62 1.00 0.00 -0.78 0.00 -1.00 -3.33 119.26 116.77 1m7t h ALA 104 Ca 0.56 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 55.26 1m7t h ALA 104 Cb 1.32 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 1m7t h ALA 104 CO -0.29 0.00 -1.80 -1.71 0.00 0.00 0.00 179.25 175.46 1m7t n ASN 105 N -3.08 2.73 -4.56 0.00 5.15 0.22 -4.87 115.26 110.85 1m7t n ASN 105 Ca 0.02 -0.06 -0.34 0.00 -0.60 0.00 0.00 54.58 53.60 1m7t n ASN 105 Cb 0.37 0.04 -0.04 0.00 -0.53 0.00 0.00 39.78 39.62 1m7t n ASN 105 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1m7t s LEU 106 N -5.56 3.25 0.00 1.20 1.98 0.61 -5.06 118.68 115.10 1m7t s LEU 106 Ca -0.16 -0.39 0.00 0.00 -2.89 0.00 0.00 54.13 50.69 1m7t s LEU 106 Cb 0.04 -2.55 0.00 0.00 0.66 0.00 0.00 46.19 44.34 1m7t s LEU 106 CO 0.36 -2.39 0.00 0.55 -1.89 0.00 0.00 176.35 172.99