#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mrn s LEU 2 N 0.00 3.71 -0.03 -0.89 2.96 -1.26 -1.41 118.68 121.76 1mrn s LEU 2 Ca 0.00 -0.87 0.04 0.00 -0.22 0.00 0.00 54.13 53.08 1mrn s LEU 2 Cb 0.00 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 1mrn s LEU 2 CO 0.00 -0.20 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.06 1mrn s ILE 3 N 1.41 3.08 -0.08 6.68 1.01 0.22 0.15 121.20 133.67 1mrn s ILE 3 Ca 0.00 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 59.90 1mrn s ILE 3 Cb -0.18 -2.23 0.01 0.00 0.01 0.00 0.00 42.46 40.08 1mrn s ILE 3 CO 0.00 0.54 -0.16 0.00 0.00 0.00 0.00 174.94 175.33 1mrn s ALA 4 N -0.78 1.54 -0.17 9.38 0.00 -0.34 -0.24 121.76 131.15 1mrn s ALA 4 Ca 0.12 -0.59 -0.12 0.00 0.00 0.00 0.00 51.96 51.38 1mrn s ALA 4 Cb -0.11 -0.64 -0.05 0.00 0.00 0.00 0.00 23.12 22.32 1mrn s ALA 4 CO 0.02 0.17 0.21 0.42 0.00 0.00 0.00 175.76 176.58 1mrn s ILE 5 N 0.56 5.36 0.31 0.00 -1.09 0.34 -1.22 121.20 125.46 1mrn s ILE 5 Ca -0.16 0.37 0.08 0.00 -2.23 0.00 0.00 60.65 58.71 1mrn s ILE 5 Cb -0.16 -3.55 -0.06 0.00 -1.58 0.00 0.00 42.46 37.10 1mrn s ILE 5 CO 0.05 0.42 -0.07 -1.61 -1.23 0.00 0.00 174.94 172.50 1mrn s GLU 6 N 0.34 1.69 0.00 2.79 0.41 0.31 -0.96 118.70 123.28 1mrn s GLU 6 Ca 0.13 -1.87 0.00 0.00 -0.41 0.00 0.00 54.97 52.82 1mrn s GLU 6 Cb -0.12 -1.42 0.00 0.00 -1.78 0.00 0.00 34.13 30.81 1mrn s GLU 6 CO 0.01 0.08 0.00 0.41 -0.49 0.00 0.00 175.26 175.27 1mrn n GLY 7 N -0.69 4.00 3.31 -1.39 0.00 -1.26 -1.98 105.19 107.18 1mrn n GLY 7 Ca -0.05 -1.24 -0.29 0.00 0.00 0.00 0.00 46.02 44.44 1mrn n GLY 7 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1mrn n VAL 8 N -1.64 0.00 -2.44 1.61 0.24 -1.26 -4.91 118.33 109.93 1mrn n VAL 8 Ca 0.00 -0.25 -0.41 0.00 -2.04 0.00 0.00 64.34 61.64 1mrn n VAL 8 Cb 0.00 -0.92 -0.04 0.00 -1.47 0.00 0.00 33.84 31.41 1mrn n VAL 8 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1mrn s ASP 9 N -2.57 7.21 -0.78 -1.34 1.01 -1.26 -3.07 116.67 115.86 1mrn s ASP 9 Ca 0.65 2.26 0.00 0.00 0.71 0.00 0.00 52.55 56.17 1mrn s ASP 9 Cb -0.18 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.13 1mrn s ASP 9 CO 0.60 -0.22 0.00 0.61 0.21 0.00 0.00 175.17 176.37 1mrn n GLY 10 N 1.47 0.55 0.10 0.21 0.00 -1.26 -4.46 105.19 101.80 1mrn n GLY 10 Ca 0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 46.02 45.40 1mrn n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mrn h ALA 11 N 0.18 0.62 0.00 4.61 0.00 -1.80 -3.41 119.26 119.46 1mrn h ALA 11 Ca -0.18 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 53.96 1mrn h ALA 11 Cb 0.81 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1mrn h ALA 11 CO 0.24 0.93 0.00 0.41 0.00 0.00 0.00 179.25 180.82 1mrn n GLY 12 N 1.34 1.44 0.41 0.00 0.00 -1.26 -4.91 105.19 102.21 1mrn n GLY 12 Ca -0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 1mrn n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mrn h LYS 13 N 0.67 -0.88 -0.90 1.61 1.57 -1.93 0.01 116.57 116.72 1mrn h LYS 13 Ca 0.00 0.06 0.25 0.00 -1.87 0.00 0.00 60.65 59.09 1mrn h LYS 13 Cb 0.00 0.20 -0.16 0.00 0.08 0.00 0.00 32.23 32.35 1mrn h LYS 13 CO 0.00 -0.59 0.14 -0.09 -0.57 0.00 0.00 179.45 178.34 1mrn h ARG 14 N -0.91 0.10 -0.08 3.15 2.43 -1.98 0.32 114.38 117.40 1mrn h ARG 14 Ca -0.07 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.02 1mrn h ARG 14 Cb 0.75 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1mrn h ARG 14 CO 0.07 0.07 -0.25 1.15 -1.51 0.00 0.00 179.97 179.49 1mrn h THR 15 N 0.11 1.41 -0.91 0.20 2.02 -1.94 -2.83 112.91 110.97 1mrn h THR 15 Ca 0.56 -1.60 0.08 0.00 0.77 0.00 0.00 66.41 66.22 1mrn h THR 15 Cb 1.15 2.23 -0.07 0.00 -1.74 0.00 0.00 68.15 69.72 1mrn h THR 15 CO -0.76 0.46 0.56 0.25 0.37 0.00 0.00 175.52 176.40 1mrn h LEU 16 N -0.16 0.86 -2.37 2.58 5.85 0.50 0.66 115.31 123.25 1mrn h LEU 16 Ca -0.01 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1mrn h LEU 16 Cb 0.87 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 1mrn h LEU 16 CO 0.05 0.52 0.03 0.58 -0.34 0.00 0.00 178.44 179.29 1mrn h VAL 17 N 0.98 0.59 0.00 1.05 2.07 -0.40 0.11 116.25 120.65 1mrn h VAL 17 Ca 0.42 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.90 1mrn h VAL 17 Cb 0.27 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1mrn h VAL 17 CO -0.21 0.00 -0.22 1.05 0.02 0.00 0.00 177.57 178.22 1mrn h GLU 18 N 0.00 0.00 0.00 1.57 4.11 0.45 -2.30 114.58 118.41 1mrn h GLU 18 Ca 0.01 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.42 1mrn h GLU 18 Cb 0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1mrn h GLU 18 CO -0.00 0.85 -0.12 0.87 0.07 0.00 0.00 179.01 180.68 1mrn h LYS 19 N -1.00 0.00 0.09 1.06 1.57 -0.50 -2.33 116.57 115.47 1mrn h LYS 19 Ca -0.06 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.41 1mrn h LYS 19 Cb 0.91 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 1mrn h LYS 19 CO -0.03 0.12 -1.63 1.25 -0.57 0.00 0.00 179.45 178.59 1mrn h LEU 20 N 0.00 0.30 -2.26 2.94 5.85 -0.92 -2.85 115.31 118.37 1mrn h LEU 20 Ca -0.00 -0.49 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 1mrn h LEU 20 Cb 0.32 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 1mrn h LEU 20 CO 0.02 1.42 -0.05 0.77 -0.34 0.00 0.00 178.44 180.25 1mrn h SER 21 N 0.05 0.00 0.39 1.25 4.64 -0.97 -2.03 113.55 116.89 1mrn h SER 21 Ca -0.27 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.80 1mrn h SER 21 Cb 2.01 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 64.05 1mrn h SER 21 CO 0.13 0.05 -1.82 0.61 -0.87 0.00 0.00 176.83 174.94 1mrn n GLY 22 N -0.88 -1.06 0.25 -0.77 0.00 -0.92 -3.65 105.19 98.15 1mrn n GLY 22 Ca -0.02 -0.18 -0.05 0.00 0.00 0.00 0.00 46.02 45.77 1mrn n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mrn h ALA 23 N 1.21 1.02 -0.00 4.61 0.00 -1.13 -2.51 119.26 122.46 1mrn h ALA 23 Ca -0.30 -0.36 -0.22 0.00 0.00 0.00 0.00 54.91 54.04 1mrn h ALA 23 Cb 1.86 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1mrn h ALA 23 CO 0.05 0.59 -0.93 0.74 0.00 0.00 0.00 179.25 179.70 1mrn h PHE 24 N 0.52 0.58 0.00 0.00 0.04 -1.63 -3.14 116.94 113.30 1mrn h PHE 24 Ca 0.07 -0.31 -0.02 0.00 2.80 0.00 0.00 57.97 60.51 1mrn h PHE 24 Cb 0.69 -0.07 -0.00 0.00 2.20 0.00 0.00 35.95 38.77 1mrn h PHE 24 CO 0.03 1.13 -0.11 0.00 -0.60 0.00 0.00 178.31 178.76 1mrn h ARG 25 N 0.22 0.00 -0.94 1.51 3.08 -1.58 0.19 114.38 116.86 1mrn h ARG 25 Ca -0.07 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1mrn h ARG 25 Cb 1.56 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.59 1mrn h ARG 25 CO 0.16 0.11 0.03 0.00 -1.07 0.00 0.00 179.97 179.20 1mrn n ALA 26 N -2.30 2.84 -2.25 0.04 0.00 -0.96 -3.28 120.51 114.59 1mrn n ALA 26 Ca -0.02 -0.40 0.02 0.00 0.00 0.00 0.00 53.44 53.04 1mrn n ALA 26 Cb 0.22 -1.04 0.01 0.00 0.00 0.00 0.00 19.45 18.64 1mrn n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mrn n ALA 27 N 0.14 2.21 0.00 0.00 0.00 0.66 -5.01 120.51 118.51 1mrn n ALA 27 Ca 0.07 -1.67 0.00 0.00 0.00 0.00 0.00 53.44 51.84 1mrn n ALA 27 Cb 0.50 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.34 1mrn n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mrn n GLY 28 N 0.25 1.29 3.70 0.00 0.00 -1.21 -4.93 105.19 104.29 1mrn n GLY 28 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1mrn n GLY 28 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1mrn s ARG 29 N 0.00 4.39 0.48 1.61 1.70 -1.23 -5.02 118.95 120.87 1mrn s ARG 29 Ca 0.00 0.96 -0.22 0.00 -0.47 0.00 0.00 55.73 55.99 1mrn s ARG 29 Cb 0.00 -3.50 -0.07 0.00 -0.57 0.00 0.00 34.95 30.81 1mrn s ARG 29 CO 0.00 -0.10 1.18 -1.54 -1.08 0.00 0.00 175.30 173.76 1mrn s SER 30 N 0.97 6.03 0.10 -2.89 1.04 -1.26 -3.96 113.70 113.73 1mrn s SER 30 Ca 0.38 2.33 0.07 0.00 0.48 0.00 0.00 55.95 59.22 1mrn s SER 30 Cb -0.18 -2.60 -0.03 0.00 0.10 0.00 0.00 66.02 63.31 1mrn s SER 30 CO 0.17 -1.01 -0.19 -0.69 0.98 0.00 0.00 173.24 172.50 1mrn s VAL 31 N -1.55 1.57 0.02 5.02 1.01 -1.26 -1.08 120.40 124.12 1mrn s VAL 31 Ca 0.65 -1.54 0.01 0.00 0.00 0.00 0.00 61.98 61.10 1mrn s VAL 31 Cb -0.29 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 1mrn s VAL 31 CO 0.35 -0.14 -0.03 0.00 0.00 0.00 0.00 175.10 175.27 1mrn s ALA 32 N -1.33 0.20 0.18 5.51 0.00 0.91 -4.94 121.76 122.30 1mrn s ALA 32 Ca 0.06 -0.48 0.05 0.00 0.00 0.00 0.00 51.96 51.58 1mrn s ALA 32 Cb -0.09 0.08 -0.05 0.00 0.00 0.00 0.00 23.12 23.06 1mrn s ALA 32 CO 0.04 -0.09 -0.10 0.95 0.00 0.00 0.00 175.76 176.57 1mrn s THR 33 N -1.07 1.31 -0.28 0.00 -4.23 -1.26 0.85 115.64 110.96 1mrn s THR 33 Ca -0.11 -2.10 -0.20 0.00 -1.18 0.00 0.00 61.69 58.10 1mrn s THR 33 Cb -0.08 -1.99 0.08 0.00 1.34 0.00 0.00 72.50 71.85 1mrn s THR 33 CO -0.00 -0.63 0.71 -0.22 -0.54 0.00 0.00 174.62 173.94 1mrn s LEU 34 N -3.24 -0.84 -0.06 4.79 2.96 -1.04 -4.95 118.68 116.31 1mrn s LEU 34 Ca 0.20 1.46 0.05 0.00 -0.22 0.00 0.00 54.13 55.62 1mrn s LEU 34 Cb 0.02 2.41 -0.02 0.00 0.50 0.00 0.00 46.19 49.10 1mrn s LEU 34 CO 0.04 -0.24 -0.19 0.00 -1.32 0.00 0.00 176.35 174.64 1mrn s ALA 35 N 1.00 2.44 -0.06 5.97 0.00 -1.26 -1.73 121.76 128.13 1mrn s ALA 35 Ca -0.05 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 50.92 1mrn s ALA 35 Cb -0.05 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 22.19 1mrn s ALA 35 CO -0.10 0.47 -0.08 -0.06 0.00 0.00 0.00 175.76 175.99 1mrn s PHE 36 N -0.41 2.89 0.55 0.00 0.08 -0.70 -3.60 117.98 116.79 1mrn s PHE 36 Ca 0.04 -0.02 -0.19 0.00 0.12 0.00 0.00 56.93 56.89 1mrn s PHE 36 Cb -0.12 -1.69 -0.06 0.00 -0.57 0.00 0.00 43.02 40.59 1mrn s PHE 36 CO 0.02 0.31 1.11 -2.14 -0.10 0.00 0.00 175.22 174.42 1mrn s PRO 37 N -0.85 3.37 -1.25 0.24 0.02 -1.26 -4.63 135.00 130.63 1mrn s PRO 37 Ca 0.13 1.53 -0.14 0.00 0.02 0.00 0.00 61.00 62.54 1mrn s PRO 37 Cb -0.11 -2.02 0.14 0.00 0.02 0.00 0.00 34.50 32.54 1mrn s PRO 37 CO 0.02 -0.82 1.61 0.54 -0.33 0.00 0.00 177.00 178.01 1mrn n ARG 38 N -1.40 3.35 -1.81 5.54 1.74 -1.24 -4.98 116.66 117.86 1mrn n ARG 38 Ca 0.11 -3.62 -0.42 0.00 -0.77 0.00 0.00 57.85 53.15 1mrn n ARG 38 Cb 0.51 -3.13 -0.02 0.00 -1.02 0.00 0.00 32.46 28.80 1mrn n ARG 38 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1mrn s TYR 39 N 2.02 2.85 0.00 -1.55 2.02 -1.26 -0.87 117.35 120.57 1mrn s TYR 39 Ca 0.45 0.69 0.00 0.00 -0.37 0.00 0.00 57.07 57.84 1mrn s TYR 39 Cb 0.01 -4.04 0.00 0.00 -0.40 0.00 0.00 41.96 37.53 1mrn s TYR 39 CO 0.01 -3.63 0.00 0.41 -1.57 0.00 0.00 175.55 170.78 1mrn n GLY 40 N 2.76 2.64 0.10 0.71 0.00 -1.26 -4.70 105.19 105.43 1mrn n GLY 40 Ca 0.10 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1mrn n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1mrn n GLN 41 N 0.00 0.66 -4.02 1.61 6.02 -0.86 -4.85 117.38 115.95 1mrn n GLN 41 Ca 0.00 0.18 -0.34 0.00 -0.01 0.00 0.00 57.00 56.83 1mrn n GLN 41 Cb 0.00 -1.68 -0.15 0.00 1.02 0.00 0.00 30.24 29.43 1mrn n GLN 41 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1mrn s SER 42 N -6.00 3.80 0.22 1.08 0.15 -0.05 -4.99 113.70 107.92 1mrn s SER 42 Ca -0.10 -0.67 -0.08 0.00 0.70 0.00 0.00 55.95 55.81 1mrn s SER 42 Cb 0.07 -1.60 0.19 0.00 -1.71 0.00 0.00 66.02 62.97 1mrn s SER 42 CO 0.81 -0.04 1.84 0.58 1.20 0.00 0.00 173.24 177.63 1mrn h VAL 43 N 5.96 1.25 -0.56 4.45 2.07 -1.88 -1.52 116.25 126.02 1mrn h VAL 43 Ca -0.40 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 66.50 1mrn h VAL 43 Cb 1.13 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1mrn h VAL 43 CO 0.61 0.28 0.37 0.00 0.02 0.00 0.00 177.57 178.84 1mrn h ALA 44 N 1.25 1.60 -0.31 1.67 0.00 -1.94 0.39 119.26 121.92 1mrn h ALA 44 Ca 0.30 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 55.01 1mrn h ALA 44 Cb 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1mrn h ALA 44 CO -0.05 0.37 -0.43 0.00 0.00 0.00 0.00 179.25 179.14 1mrn h ALA 45 N 1.65 0.65 -0.20 0.00 0.00 -1.55 -0.44 119.26 119.37 1mrn h ALA 45 Ca 0.20 -0.47 -0.15 0.00 0.00 0.00 0.00 54.91 54.50 1mrn h ALA 45 Cb -0.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1mrn h ALA 45 CO -0.04 0.67 -0.44 -0.44 0.00 0.00 0.00 179.25 178.99 1mrn h ASP 46 N 0.64 0.73 0.11 0.00 3.32 -0.36 -2.49 116.42 118.36 1mrn h ASP 46 Ca 0.04 -0.56 -0.07 0.00 0.02 0.00 0.00 57.03 56.46 1mrn h ASP 46 Cb 1.00 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.32 1mrn h ASP 46 CO 0.10 1.16 -0.23 0.40 -1.72 0.00 0.00 179.24 178.94 1mrn h ILE 47 N 0.33 1.23 -0.24 0.35 2.04 -0.21 -0.81 117.51 120.20 1mrn h ILE 47 Ca 0.00 -1.06 -0.05 0.00 1.00 0.00 0.00 64.86 64.75 1mrn h ILE 47 Cb 1.05 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 1mrn h ILE 47 CO 0.10 0.32 -0.04 0.00 0.00 0.00 0.00 178.15 178.53 1mrn h ALA 48 N 1.55 0.34 -0.10 1.87 0.00 -0.93 -2.21 119.26 119.77 1mrn h ALA 48 Ca 0.04 -0.25 -0.23 0.00 0.00 0.00 0.00 54.91 54.46 1mrn h ALA 48 Cb 0.54 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1mrn h ALA 48 CO 0.04 0.12 -0.84 0.00 0.00 0.00 0.00 179.25 178.56 1mrn h ALA 49 N 0.77 0.32 -0.58 0.00 0.00 -1.29 -1.70 119.26 116.78 1mrn h ALA 49 Ca 0.06 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 1mrn h ALA 49 Cb 0.49 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1mrn h ALA 49 CO 0.02 0.70 0.27 0.93 0.00 0.00 0.00 179.25 181.18 1mrn h GLU 50 N 0.46 0.81 -0.57 0.00 5.08 -1.20 0.11 114.58 119.27 1mrn h GLU 50 Ca -0.07 -0.10 -0.08 0.00 -1.00 0.00 0.00 59.36 58.11 1mrn h GLU 50 Cb 1.47 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.54 1mrn h GLU 50 CO 0.17 0.63 0.03 0.00 -1.00 0.00 0.00 179.01 178.84 1mrn h ALA 51 N 1.49 0.76 0.00 3.43 0.00 -1.27 -0.23 119.26 123.44 1mrn h ALA 51 Ca 0.20 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1mrn h ALA 51 Cb 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1mrn h ALA 51 CO -0.03 0.56 0.00 -0.07 0.00 0.00 0.00 179.25 179.72 1mrn h LEU 52 N 0.87 0.00 -3.46 0.00 3.38 -0.14 -0.74 115.31 115.23 1mrn h LEU 52 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1mrn h LEU 52 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1mrn h LEU 52 CO 0.02 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.96 1mrn n HIS 53 N -2.65 1.96 -0.25 1.13 8.25 0.22 -1.71 115.22 122.17 1mrn n HIS 53 Ca -0.00 -0.70 0.00 0.00 -0.26 0.00 0.00 57.72 56.76 1mrn n HIS 53 Cb 0.18 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 30.84 1mrn n HIS 53 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1mrn n GLY 54 N 0.76 0.88 3.90 -1.41 0.00 -0.29 -5.02 105.19 104.01 1mrn n GLY 54 Ca 0.27 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 46.05 1mrn n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mrn s GLU 55 N -0.74 2.39 -0.95 1.61 2.02 -0.24 -4.82 118.70 117.97 1mrn s GLU 55 Ca 0.00 -1.74 -0.05 0.00 0.02 0.00 0.00 54.97 53.20 1mrn s GLU 55 Cb 0.00 -2.30 -0.06 0.00 0.10 0.00 0.00 34.13 31.87 1mrn s GLU 55 CO 0.00 -0.44 0.84 0.72 0.02 0.00 0.00 175.26 176.40 1mrn n HIS 56 N -1.72 -2.40 0.00 1.61 8.25 -1.26 -4.06 115.22 115.64 1mrn n HIS 56 Ca 0.03 0.85 0.00 0.00 -0.26 0.00 0.00 57.72 58.34 1mrn n HIS 56 Cb 0.63 -4.03 0.00 0.00 1.12 0.00 0.00 29.99 27.71 1mrn n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1mrn n GLY 57 N -1.31 2.71 0.78 -1.41 0.00 -1.26 -1.69 105.19 103.01 1mrn n GLY 57 Ca -0.06 0.05 0.04 0.00 0.00 0.00 0.00 46.02 46.05 1mrn n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mrn n ASP 58 N 1.97 2.17 0.05 1.61 5.68 -1.26 -4.61 116.55 122.17 1mrn n ASP 58 Ca 0.00 -2.17 -0.12 0.00 -0.50 0.00 0.00 54.79 52.00 1mrn n ASP 58 Cb 0.00 -0.37 -0.07 0.00 -1.14 0.00 0.00 41.12 39.54 1mrn n ASP 58 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1mrn h LEU 59 N 1.65 -1.20 -2.76 -2.12 6.46 -1.60 -2.68 115.31 113.06 1mrn h LEU 59 Ca 0.00 0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 1mrn h LEU 59 Cb 0.71 0.45 -0.00 0.00 -0.73 0.00 0.00 40.66 41.09 1mrn h LEU 59 CO 0.09 -0.39 0.06 0.00 -0.62 0.00 0.00 178.44 177.58 1mrn h ALA 60 N -0.75 1.14 0.00 1.25 0.00 -1.82 -2.08 119.26 117.01 1mrn h ALA 60 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1mrn h ALA 60 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1mrn h ALA 60 CO -0.25 -0.06 0.00 -1.13 0.00 0.00 0.00 179.25 177.81 1mrn n SER 61 N -3.17 0.00 -4.29 0.00 3.41 -1.01 -4.44 113.62 104.12 1mrn n SER 61 Ca -0.03 0.44 -0.41 0.00 -0.26 0.00 0.00 58.87 58.62 1mrn n SER 61 Cb 0.13 -0.47 -0.10 0.00 -0.26 0.00 0.00 64.21 63.51 1mrn n SER 61 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1mrn s SER 62 N -2.94 5.69 0.28 4.04 0.15 -0.78 -4.97 113.70 115.16 1mrn s SER 62 Ca 0.08 -1.42 0.02 0.00 0.70 0.00 0.00 55.95 55.33 1mrn s SER 62 Cb 0.10 -2.01 0.65 0.00 -1.71 0.00 0.00 66.02 63.05 1mrn s SER 62 CO 0.26 -0.53 1.75 0.58 1.20 0.00 0.00 173.24 176.51 1mrn h VAL 63 N 6.03 0.66 0.00 4.45 2.07 -1.87 -1.32 116.25 126.27 1mrn h VAL 63 Ca -0.24 -0.21 -0.14 0.00 0.82 0.00 0.00 66.70 66.93 1mrn h VAL 63 Cb 1.09 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1mrn h VAL 63 CO 0.75 0.11 -0.68 1.88 0.02 0.00 0.00 177.57 179.66 1mrn h TYR 64 N 0.61 0.00 -0.06 1.57 -1.99 -1.95 -1.67 116.97 113.48 1mrn h TYR 64 Ca 0.53 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 61.24 1mrn h TYR 64 Cb 0.84 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.57 1mrn h TYR 64 CO -0.07 0.68 -0.05 0.00 -0.00 0.00 0.00 178.16 178.72 1mrn h ALA 65 N 1.32 0.08 -0.84 3.88 0.00 -1.60 0.13 119.26 122.24 1mrn h ALA 65 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1mrn h ALA 65 Cb 1.27 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 1mrn h ALA 65 CO 0.09 -0.14 0.53 0.52 0.00 0.00 0.00 179.25 180.25 1mrn h MET 66 N -0.30 1.11 -0.21 0.00 2.86 -1.34 -0.87 114.93 116.19 1mrn h MET 66 Ca 0.01 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1mrn h MET 66 Cb 0.53 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1mrn h MET 66 CO 0.01 0.76 0.03 0.00 1.06 0.00 0.00 176.91 178.77 1mrn h ALA 67 N 1.45 0.27 -0.57 6.32 0.00 -1.10 -2.81 119.26 122.81 1mrn h ALA 67 Ca 0.30 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1mrn h ALA 67 Cb -0.10 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 1mrn h ALA 67 CO -0.06 -0.06 0.26 1.15 0.00 0.00 0.00 179.25 180.54 1mrn h THR 68 N 0.14 0.87 -0.98 0.00 2.02 -0.06 -0.89 112.91 114.01 1mrn h THR 68 Ca 0.06 -0.16 0.04 0.00 0.77 0.00 0.00 66.41 67.12 1mrn h THR 68 Cb 0.31 0.35 -0.06 0.00 -1.74 0.00 0.00 68.15 67.02 1mrn h THR 68 CO 0.00 0.09 0.64 -0.07 0.37 0.00 0.00 175.52 176.55 1mrn h LEU 69 N 0.48 1.06 -1.11 2.58 3.38 -1.09 0.52 115.31 121.13 1mrn h LEU 69 Ca 0.27 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1mrn h LEU 69 Cb 0.26 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1mrn h LEU 69 CO -0.23 0.71 -0.06 -0.26 0.09 0.00 0.00 178.44 178.69 1mrn h PHE 70 N 1.22 0.00 0.04 1.13 0.04 -1.05 -1.64 116.94 116.68 1mrn h PHE 70 Ca 0.40 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 61.08 1mrn h PHE 70 Cb 0.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.19 1mrn h PHE 70 CO -0.01 0.06 -0.41 0.00 -0.60 0.00 0.00 178.31 177.36 1mrn h ALA 71 N 1.94 0.01 -0.07 2.45 0.00 0.22 -3.17 119.26 120.64 1mrn h ALA 71 Ca -0.00 -0.65 0.02 0.00 0.00 0.00 0.00 54.91 54.28 1mrn h ALA 71 Cb 0.66 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1mrn h ALA 71 CO 0.01 0.21 0.05 -0.07 0.00 0.00 0.00 179.25 179.45 1mrn h LEU 72 N -0.79 0.00 0.57 0.00 3.38 0.12 0.23 115.31 118.82 1mrn h LEU 72 Ca -0.09 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1mrn h LEU 72 Cb 1.24 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.00 1mrn h LEU 72 CO 0.03 0.00 -0.27 -0.78 0.09 0.00 0.00 178.44 177.50 1mrn h ASP 73 N 0.00 -0.65 -0.67 -0.43 3.58 -1.39 -2.51 116.42 114.36 1mrn h ASP 73 Ca 0.03 -0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.47 1mrn h ASP 73 Cb 0.13 0.17 -0.04 0.00 1.72 0.00 0.00 39.33 41.32 1mrn h ASP 73 CO -0.00 -0.30 0.44 0.03 -2.88 0.00 0.00 179.24 176.54 1mrn h ARG 74 N -1.03 0.80 -0.51 0.28 3.08 -1.35 -1.86 114.38 113.80 1mrn h ARG 74 Ca -0.08 -0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.00 1mrn h ARG 74 Cb 0.65 -0.18 -0.06 0.00 0.08 0.00 0.00 29.97 30.46 1mrn h ARG 74 CO 0.13 0.53 0.17 0.00 -1.07 0.00 0.00 179.97 179.72 1mrn h ALA 75 N 1.60 0.61 0.00 0.04 0.00 -0.45 1.11 119.26 122.18 1mrn h ALA 75 Ca 0.26 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1mrn h ALA 75 Cb 0.03 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1mrn h ALA 75 CO -0.07 -0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.36 1mrn n GLY 76 N -1.27 -0.60 0.81 0.00 0.00 -0.72 -2.16 105.19 101.25 1mrn n GLY 76 Ca 0.06 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.07 1mrn n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mrn n ALA 77 N -1.12 2.73 -0.01 4.61 0.00 0.38 -4.73 120.51 122.37 1mrn n ALA 77 Ca 0.09 -1.93 -0.13 0.00 0.00 0.00 0.00 53.44 51.47 1mrn n ALA 77 Cb 0.08 -0.62 -0.10 0.00 0.00 0.00 0.00 19.45 18.81 1mrn n ALA 77 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1mrn h VAL 78 N 1.86 1.37 -0.71 0.00 2.07 -1.06 -1.84 116.25 117.93 1mrn h VAL 78 Ca 0.00 -1.38 -0.03 0.00 0.82 0.00 0.00 66.70 66.11 1mrn h VAL 78 Cb 1.21 2.27 -0.03 0.00 -1.52 0.00 0.00 31.29 33.22 1mrn h VAL 78 CO 0.15 0.35 0.34 0.45 0.02 0.00 0.00 177.57 178.88 1mrn h HIS 79 N -0.66 1.01 -0.21 1.57 3.86 -1.84 -1.60 115.15 117.27 1mrn h HIS 79 Ca -0.00 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 1mrn h HIS 79 Cb 0.60 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 1mrn h HIS 79 CO 0.13 0.73 0.11 1.15 0.86 0.00 0.00 177.93 180.92 1mrn h THR 80 N 1.01 1.12 0.66 2.45 2.02 -1.86 0.12 112.91 118.42 1mrn h THR 80 Ca 0.25 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 1mrn h THR 80 Cb 0.11 0.94 0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1mrn h THR 80 CO -0.03 0.11 -0.32 0.40 0.37 0.00 0.00 175.52 176.06 1mrn h ILE 81 N 0.23 0.34 -0.59 3.11 1.08 -1.01 -1.10 117.51 119.58 1mrn h ILE 81 Ca 0.07 -0.04 0.11 0.00 -0.39 0.00 0.00 64.86 64.62 1mrn h ILE 81 Cb 0.08 0.36 -0.08 0.00 -3.07 0.00 0.00 36.82 34.10 1mrn h ILE 81 CO -0.01 0.01 0.12 1.56 -0.69 0.00 0.00 178.15 179.14 1mrn h GLN 82 N -0.91 0.25 -0.33 2.37 4.20 -1.25 0.41 115.11 119.85 1mrn h GLN 82 Ca -0.09 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.67 1mrn h GLN 82 Cb 0.69 -0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.35 1mrn h GLN 82 CO 0.15 0.16 -0.11 0.78 -0.67 0.00 0.00 178.83 179.15 1mrn h GLY 83 N 0.25 0.19 0.63 3.46 0.00 -0.54 -0.30 103.07 106.78 1mrn h GLY 83 Ca 0.31 0.14 0.08 0.00 0.00 0.00 0.00 47.33 47.85 1mrn h GLY 83 CO -0.40 -0.14 0.51 1.41 0.00 0.00 0.00 176.54 177.92 1mrn h LEU 84 N -0.04 0.78 -1.11 3.11 3.38 0.30 0.50 115.31 122.24 1mrn h LEU 84 Ca 0.16 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 1mrn h LEU 84 Cb 0.28 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1mrn h LEU 84 CO -0.36 0.48 0.03 0.00 0.09 0.00 0.00 178.44 178.68 1mrn h ARG 86 N 0.63 -0.17 0.28 0.00 -0.00 -0.09 -3.40 114.38 111.63 1mrn h ARG 86 Ca 0.13 0.01 -0.01 0.00 -0.00 0.00 0.00 59.98 60.11 1mrn h ARG 86 Cb 0.35 0.04 0.00 0.00 -0.00 0.00 0.00 29.97 30.36 1mrn h ARG 86 CO 0.01 0.29 -0.14 0.78 -0.00 0.00 0.00 179.97 180.91 1mrn h GLY 87 N -0.78 -0.40 -1.34 0.08 0.00 -0.89 -3.46 103.07 96.28 1mrn h GLY 87 Ca -0.02 0.15 -0.50 0.00 0.00 0.00 0.00 47.33 46.96 1mrn h GLY 87 CO 0.03 -0.14 0.36 -0.19 0.00 0.00 0.00 176.54 176.60 1mrn s TYR 88 N -3.52 3.48 0.09 5.60 1.51 -0.42 -5.01 117.35 119.09 1mrn s TYR 88 Ca -0.06 1.10 0.03 0.00 -1.01 0.00 0.00 57.07 57.14 1mrn s TYR 88 Cb 0.01 -2.80 -0.24 0.00 -0.11 0.00 0.00 41.96 38.82 1mrn s TYR 88 CO 0.17 -0.83 1.19 -0.44 -1.11 0.00 0.00 175.55 174.53 1mrn h ASP 89 N -0.36 0.15 -4.05 2.29 5.19 -1.82 -3.43 116.42 114.38 1mrn h ASP 89 Ca -0.45 -0.17 -0.28 0.00 -0.62 0.00 0.00 57.03 55.51 1mrn h ASP 89 Cb 1.22 -0.05 -0.27 0.00 0.18 0.00 0.00 39.33 40.41 1mrn h ASP 89 CO 0.62 1.13 -0.74 -0.69 -3.12 0.00 0.00 179.24 176.45 1mrn s VAL 90 N -2.68 0.30 -0.08 -1.35 1.01 -0.24 -2.16 120.40 115.19 1mrn s VAL 90 Ca -0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 1mrn s VAL 90 Cb 0.09 -0.29 0.03 0.00 0.00 0.00 0.00 36.38 36.20 1mrn s VAL 90 CO 0.84 -0.02 -0.04 -0.69 0.00 0.00 0.00 175.10 175.19 1mrn s VAL 91 N -0.36 0.68 -0.11 2.92 1.01 -0.50 -0.06 120.40 123.99 1mrn s VAL 91 Ca -0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 61.98 61.87 1mrn s VAL 91 Cb -0.03 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 1mrn s VAL 91 CO -0.00 0.30 -0.09 -0.63 0.00 0.00 0.00 175.10 174.68 1mrn s ILE 92 N 1.67 3.45 -0.16 2.22 1.01 0.25 -0.61 121.20 129.03 1mrn s ILE 92 Ca 0.02 -0.54 -0.01 0.00 0.00 0.00 0.00 60.65 60.12 1mrn s ILE 92 Cb -0.13 -2.45 -0.01 0.00 0.01 0.00 0.00 42.46 39.88 1mrn s ILE 92 CO -0.05 0.54 -0.11 -0.76 0.00 0.00 0.00 174.94 174.56 1mrn s LEU 93 N -0.09 2.76 -0.91 2.97 1.43 0.67 -2.50 118.68 123.01 1mrn s LEU 93 Ca -0.00 -0.35 -0.20 0.00 -1.03 0.00 0.00 54.13 52.55 1mrn s LEU 93 Cb -0.13 -1.65 0.10 0.00 0.03 0.00 0.00 46.19 44.54 1mrn s LEU 93 CO 0.03 0.11 1.17 -0.62 0.23 0.00 0.00 176.35 177.27 1mrn s ASP 94 N 0.68 6.53 0.00 2.29 -1.08 -0.70 0.13 116.67 124.52 1mrn s ASP 94 Ca -0.05 -1.76 0.00 0.00 -0.52 0.00 0.00 52.55 50.22 1mrn s ASP 94 Cb -0.15 -2.44 0.00 0.00 -1.46 0.00 0.00 42.92 38.87 1mrn s ASP 94 CO 0.02 -1.22 0.00 0.54 0.52 0.00 0.00 175.17 175.04 1mrn n ARG 95 N 7.22 0.00 0.00 4.34 1.74 -0.14 -1.72 116.66 128.10 1mrn n ARG 95 Ca 0.22 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 1mrn n ARG 95 Cb 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.93 1mrn n ARG 95 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1mrn n TYR 96 N -0.59 0.00 -0.30 -1.55 9.36 -1.26 -4.12 117.16 118.69 1mrn n TYR 96 Ca 0.00 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.17 1mrn n TYR 96 Cb 0.00 0.00 0.07 0.00 -0.63 0.00 0.00 39.34 38.78 1mrn n TYR 96 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1mrn h VAL 97 N 0.00 1.25 -0.76 2.97 2.07 -1.97 -2.40 116.25 117.40 1mrn h VAL 97 Ca 0.00 -0.67 0.22 0.00 0.82 0.00 0.00 66.70 67.07 1mrn h VAL 97 Cb 0.00 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 29.93 1mrn h VAL 97 CO 0.00 0.29 0.66 0.00 0.02 0.00 0.00 177.57 178.54 1mrn h ALA 98 N 1.22 2.61 -0.61 1.67 0.00 -1.96 -0.11 119.26 122.09 1mrn h ALA 98 Ca 0.28 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 1mrn h ALA 98 Cb 0.09 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1mrn h ALA 98 CO -0.04 -1.05 0.20 0.77 0.00 0.00 0.00 179.25 179.12 1mrn h SER 99 N 0.00 0.88 -0.70 0.00 0.02 -1.83 -0.76 113.55 111.16 1mrn h SER 99 Ca 0.36 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 1mrn h SER 99 Cb 1.68 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.95 1mrn h SER 99 CO -0.00 0.85 0.39 0.78 -1.14 0.00 0.00 176.83 177.71 1mrn h ASN 100 N 0.86 0.88 0.14 3.07 4.21 -1.15 -0.92 115.58 122.67 1mrn h ASN 100 Ca 0.20 -0.07 -0.01 0.00 1.21 0.00 0.00 56.30 57.63 1mrn h ASN 100 Cb 0.28 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 37.26 1mrn h ASN 100 CO -0.01 0.71 -0.07 0.00 -1.29 0.00 0.00 177.43 176.77 1mrn h ALA 101 N 1.44 -0.18 0.03 -0.83 0.00 -1.42 -1.76 119.26 116.53 1mrn h ALA 101 Ca 0.25 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1mrn h ALA 101 Cb 0.02 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1mrn h ALA 101 CO -0.04 -0.40 -0.08 0.00 0.00 0.00 0.00 179.25 178.73 1mrn h ALA 102 N 0.18 -0.11 -0.16 0.00 0.00 -0.99 -0.55 119.26 117.63 1mrn h ALA 102 Ca -0.02 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1mrn h ALA 102 Cb 0.46 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1mrn h ALA 102 CO 0.03 -0.58 -0.47 1.88 0.00 0.00 0.00 179.25 180.11 1mrn h TYR 103 N -0.15 0.79 -0.10 0.00 -1.99 -1.28 -1.41 116.97 112.83 1mrn h TYR 103 Ca 0.02 -0.31 -0.00 0.00 2.00 0.00 0.00 58.73 60.44 1mrn h TYR 103 Cb 0.17 -0.14 -0.00 0.00 2.00 0.00 0.00 36.73 38.76 1mrn h TYR 103 CO -0.13 1.08 0.06 0.77 -0.00 0.00 0.00 178.16 179.94 1mrn h SER 104 N 0.27 0.12 -0.21 3.88 0.02 -1.34 0.11 113.55 116.41 1mrn h SER 104 Ca -0.01 -0.07 0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1mrn h SER 104 Cb 1.09 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.58 1mrn h SER 104 CO 0.10 0.16 0.10 0.00 -1.14 0.00 0.00 176.83 176.05 1mrn h ALA 105 N 0.97 0.24 -0.73 3.77 0.00 -1.15 -2.40 119.26 119.97 1mrn h ALA 105 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1mrn h ALA 105 Cb 0.06 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1mrn h ALA 105 CO -0.01 -0.32 0.46 0.00 0.00 0.00 0.00 179.25 179.38 1mrn h ALA 106 N 1.11 1.44 0.00 0.00 0.00 -1.00 -0.33 119.26 120.48 1mrn h ALA 106 Ca 0.08 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1mrn h ALA 106 Cb 0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1mrn h ALA 106 CO -0.06 0.50 -0.25 0.00 0.00 0.00 0.00 179.25 179.43 1mrn h ARG 107 N 0.99 0.00 -0.71 0.00 3.08 -0.37 -2.46 114.38 114.90 1mrn h ARG 107 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1mrn h ARG 107 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1mrn h ARG 107 CO -0.05 0.25 0.00 1.28 -1.07 0.00 0.00 179.97 180.38 1mrn n LEU 108 N -4.04 3.90 -3.86 3.04 4.77 -0.68 -4.95 117.00 115.18 1mrn n LEU 108 Ca -0.02 -1.93 -0.25 0.00 -0.03 0.00 0.00 56.01 53.78 1mrn n LEU 108 Cb 0.32 -0.48 0.01 0.00 -2.33 0.00 0.00 43.42 40.94 1mrn n LEU 108 CO 0.36 0.97 -0.11 1.41 -1.33 0.00 0.00 177.39 178.69 1mrn n HIS 109 N 1.64 -1.85 -4.03 -1.77 8.25 -0.68 -4.97 115.22 111.82 1mrn n HIS 109 Ca 0.24 0.81 -0.24 0.00 -0.26 0.00 0.00 57.72 58.27 1mrn n HIS 109 Cb 0.62 -3.99 -0.06 0.00 1.12 0.00 0.00 29.99 27.68 1mrn n HIS 109 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1mrn s GLU 110 N -6.35 2.28 0.45 -0.41 2.02 -0.22 -5.03 118.70 111.43 1mrn s GLU 110 Ca 0.13 -1.83 0.07 0.00 0.02 0.00 0.00 54.97 53.36 1mrn s GLU 110 Cb -0.07 -2.04 -0.01 0.00 0.10 0.00 0.00 34.13 32.10 1mrn s GLU 110 CO 0.85 -0.19 0.34 0.54 0.02 0.00 0.00 175.26 176.82 1mrn s ASN 111 N -3.98 4.80 0.45 -0.19 2.20 -1.26 -4.41 114.94 112.54 1mrn s ASN 111 Ca 0.40 -0.95 0.23 0.00 -0.94 0.00 0.00 52.86 51.60 1mrn s ASN 111 Cb 0.02 -0.31 1.22 0.00 -2.00 0.00 0.00 41.25 40.18 1mrn s ASN 111 CO 0.23 -0.74 1.82 0.00 -2.94 0.00 0.00 177.10 175.47 1mrn h ALA 112 N 1.05 2.45 -0.01 3.54 0.00 -1.93 0.43 119.26 124.79 1mrn h ALA 112 Ca -0.41 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1mrn h ALA 112 Cb 1.27 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1mrn h ALA 112 CO 0.60 -0.78 0.00 0.00 0.00 0.00 0.00 179.25 179.07 1mrn n ALA 113 N -2.57 2.64 -0.93 0.00 0.00 -1.26 -4.68 120.51 113.72 1mrn n ALA 113 Ca 0.22 -0.22 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1mrn n ALA 113 Cb 0.88 -1.39 0.07 0.00 0.00 0.00 0.00 19.45 19.01 1mrn n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mrn n GLY 114 N 0.97 -3.08 0.14 0.00 0.00 0.15 -4.87 105.19 98.50 1mrn n GLY 114 Ca 0.20 -1.36 -0.18 0.00 0.00 0.00 0.00 46.02 44.68 1mrn n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mrn h LYS 115 N 0.00 0.41 -0.38 1.61 1.57 -1.91 -3.08 116.57 114.79 1mrn h LYS 115 Ca -0.10 -0.59 -0.02 0.00 -1.87 0.00 0.00 60.65 58.06 1mrn h LYS 115 Cb 0.32 0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 1mrn h LYS 115 CO 0.06 1.25 0.14 0.00 -0.57 0.00 0.00 179.45 180.34 1mrn h ALA 116 N 0.51 0.49 -0.51 3.86 0.00 -1.94 0.23 119.26 121.91 1mrn h ALA 116 Ca -0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1mrn h ALA 116 Cb 1.89 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 1mrn h ALA 116 CO 0.21 0.11 0.27 0.00 0.00 0.00 0.00 179.25 179.84 1mrn h ALA 117 N 0.98 0.65 -0.41 0.00 0.00 -1.80 -0.01 119.26 118.67 1mrn h ALA 117 Ca 0.12 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1mrn h ALA 117 Cb 0.21 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1mrn h ALA 117 CO -0.01 0.18 -0.02 0.00 0.00 0.00 0.00 179.25 179.40 1mrn h ALA 118 N 1.11 1.20 -0.67 0.00 0.00 -1.41 -1.96 119.26 117.52 1mrn h ALA 118 Ca 0.18 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1mrn h ALA 118 Cb 0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1mrn h ALA 118 CO -0.03 0.53 0.18 2.35 0.00 0.00 0.00 179.25 182.27 1mrn h TRP 119 N 0.63 1.11 -0.54 0.00 7.01 0.28 -1.84 115.95 122.60 1mrn h TRP 119 Ca 0.13 -0.13 -0.07 0.00 2.11 0.00 0.00 58.89 60.93 1mrn h TRP 119 Cb 0.43 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 27.15 1mrn h TRP 119 CO 0.02 0.91 0.04 0.28 -2.79 0.00 0.00 178.44 176.90 1mrn h VAL 120 N 0.99 1.25 0.09 2.65 2.07 -0.58 -1.59 116.25 121.13 1mrn h VAL 120 Ca 0.21 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 1mrn h VAL 120 Cb 0.35 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1mrn h VAL 120 CO -0.00 0.36 -0.06 1.56 0.02 0.00 0.00 177.57 179.45 1mrn h GLN 121 N 0.83 -0.14 -0.46 1.57 1.08 -1.08 -1.33 115.11 115.59 1mrn h GLN 121 Ca 0.16 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.36 1mrn h GLN 121 Cb 0.43 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.87 1mrn h GLN 121 CO 0.02 -0.09 0.23 0.00 -0.95 0.00 0.00 178.83 178.03 1mrn h ARG 122 N -0.15 0.65 0.01 1.46 3.08 -1.12 -2.72 114.38 115.59 1mrn h ARG 122 Ca -0.00 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 59.87 1mrn h ARG 122 Cb 0.13 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.07 1mrn h ARG 122 CO 0.00 0.54 -0.35 0.82 -1.07 0.00 0.00 179.97 179.91 1mrn h ILE 123 N 0.60 1.54 0.01 2.04 1.08 -1.29 -0.35 117.51 121.14 1mrn h ILE 123 Ca 0.16 -2.05 -0.00 0.00 -0.39 0.00 0.00 64.86 62.58 1mrn h ILE 123 Cb 0.10 2.82 0.00 0.00 -3.07 0.00 0.00 36.82 36.66 1mrn h ILE 123 CO -0.02 0.57 -0.00 -0.33 -0.69 0.00 0.00 178.15 177.67 1mrn h GLU 124 N -0.45 -0.01 0.21 2.37 5.08 -1.33 0.50 114.58 120.96 1mrn h GLU 124 Ca -0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1mrn h GLU 124 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1mrn h GLU 124 CO 0.07 0.56 -0.10 0.74 -1.00 0.00 0.00 179.01 179.27 1mrn h PHE 125 N -0.99 -0.27 0.79 4.33 0.04 -1.64 -0.49 116.94 118.71 1mrn h PHE 125 Ca -0.00 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 1mrn h PHE 125 Cb 0.57 0.09 0.01 0.00 2.20 0.00 0.00 35.95 38.82 1mrn h PHE 125 CO 0.16 -0.10 -0.38 0.00 -0.60 0.00 0.00 178.31 177.39 1mrn h ALA 126 N -0.97 -1.20 0.05 2.45 0.00 -1.60 -1.83 119.26 116.17 1mrn h ALA 126 Ca -0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1mrn h ALA 126 Cb 0.29 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1mrn h ALA 126 CO 0.05 -1.12 -0.03 -0.09 0.00 0.00 0.00 179.25 178.06 1mrn h ARG 127 N -1.13 -0.07 -0.00 0.00 2.43 -0.95 -3.29 114.38 111.38 1mrn h ARG 127 Ca -0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1mrn h ARG 127 Cb 0.81 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 1mrn h ARG 127 CO 0.18 0.52 -0.12 1.28 -1.51 0.00 0.00 179.97 180.32 1mrn n LEU 128 N -4.81 0.21 -3.47 3.80 4.77 0.17 -4.94 117.00 112.73 1mrn n LEU 128 Ca -0.08 0.25 -0.24 0.00 -0.03 0.00 0.00 56.01 55.90 1mrn n LEU 128 Cb 0.31 -0.33 0.06 0.00 -2.33 0.00 0.00 43.42 41.12 1mrn n LEU 128 CO 0.30 0.04 0.16 0.61 -1.33 0.00 0.00 177.39 177.17 1mrn n GLY 129 N 1.40 -0.54 3.71 -0.72 0.00 -0.69 -4.95 105.19 103.41 1mrn n GLY 129 Ca 0.10 0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 1mrn n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mrn s LEU 130 N -7.12 4.39 0.33 0.99 2.01 -0.26 -4.99 118.68 114.02 1mrn s LEU 130 Ca 0.52 1.81 -0.29 0.00 0.01 0.00 0.00 54.13 56.17 1mrn s LEU 130 Cb -0.23 -3.58 -0.12 0.00 0.01 0.00 0.00 46.19 42.27 1mrn s LEU 130 CO 0.64 -0.31 1.46 -0.81 1.01 0.00 0.00 176.35 178.34 1mrn n PRO 131 N 3.74 2.47 -2.79 1.29 -0.04 -1.26 -4.46 135.00 133.94 1mrn n PRO 131 Ca 0.06 0.87 -0.41 0.00 -0.04 0.00 0.00 63.50 63.99 1mrn n PRO 131 Cb 0.49 -2.57 -0.05 0.00 -0.04 0.00 0.00 33.50 31.33 1mrn n PRO 131 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1mrn s LYS 132 N -1.38 4.69 0.27 0.54 1.02 -1.26 -5.02 119.74 118.60 1mrn s LYS 132 Ca 0.59 1.37 -0.29 0.00 0.02 0.00 0.00 55.97 57.66 1mrn s LYS 132 Cb -0.53 -3.35 -0.09 0.00 -0.52 0.00 0.00 37.83 33.34 1mrn s LYS 132 CO 0.57 0.32 1.23 -1.25 -0.92 0.00 0.00 175.35 175.29 1mrn s PRO 133 N -0.34 4.47 0.39 -1.68 0.04 -1.26 -4.91 135.00 131.72 1mrn s PRO 133 Ca 0.43 2.00 0.08 0.00 0.04 0.00 0.00 61.00 63.56 1mrn s PRO 133 Cb -0.23 -3.16 0.79 0.00 0.04 0.00 0.00 34.50 31.94 1mrn s PRO 133 CO 0.29 -0.06 1.95 -0.44 0.04 0.00 0.00 177.00 178.78 1mrn h ASP 134 N 4.17 0.31 -4.81 6.66 3.32 -0.64 -3.40 116.42 122.03 1mrn h ASP 134 Ca -0.47 -0.05 -0.17 0.00 0.02 0.00 0.00 57.03 56.37 1mrn h ASP 134 Cb 1.22 -0.08 -0.22 0.00 0.22 0.00 0.00 39.33 40.47 1mrn h ASP 134 CO 0.69 0.39 -0.62 0.26 -1.72 0.00 0.00 179.24 178.24 1mrn s TRP 135 N -4.93 0.14 -0.24 4.55 0.52 -1.04 -3.94 118.94 114.00 1mrn s TRP 135 Ca -0.06 -0.30 -0.02 0.00 0.02 0.00 0.00 56.10 55.74 1mrn s TRP 135 Cb 0.16 -0.11 0.08 0.00 -1.15 0.00 0.00 33.47 32.44 1mrn s TRP 135 CO 0.73 -0.20 0.06 -0.65 0.02 0.00 0.00 176.95 176.92 1mrn s GLN 136 N -1.23 0.66 -0.36 4.98 -0.21 -0.44 -1.20 119.66 121.87 1mrn s GLN 136 Ca -0.13 -0.67 -0.22 0.00 0.02 0.00 0.00 55.36 54.36 1mrn s GLN 136 Cb -0.08 -1.99 0.01 0.00 1.00 0.00 0.00 33.01 31.94 1mrn s GLN 136 CO 0.00 -0.79 0.73 0.08 -2.12 0.00 0.00 175.29 173.19 1mrn s VAL 137 N 1.79 4.80 -0.86 1.09 1.01 -0.36 -1.71 120.40 126.15 1mrn s VAL 137 Ca 0.03 0.78 -0.18 0.00 0.00 0.00 0.00 61.98 62.61 1mrn s VAL 137 Cb -0.17 -4.16 0.13 0.00 0.00 0.00 0.00 36.38 32.19 1mrn s VAL 137 CO -0.17 -0.38 1.02 -0.22 0.00 0.00 0.00 175.10 175.36 1mrn s LEU 138 N 2.94 5.26 -0.98 3.92 2.96 -0.29 -0.53 118.68 131.97 1mrn s LEU 138 Ca 0.29 -1.98 -0.24 0.00 -0.22 0.00 0.00 54.13 51.98 1mrn s LEU 138 Cb -0.14 -2.37 -0.07 0.00 0.50 0.00 0.00 46.19 44.12 1mrn s LEU 138 CO 0.16 -1.04 1.97 -0.22 -1.32 0.00 0.00 176.35 175.90 1mrn s LEU 139 N 2.47 3.10 -0.11 -0.68 2.96 -0.84 -3.08 118.68 122.49 1mrn s LEU 139 Ca 0.28 -0.93 -0.30 0.00 -0.22 0.00 0.00 54.13 52.97 1mrn s LEU 139 Cb -0.08 -2.57 -0.01 0.00 0.50 0.00 0.00 46.19 44.02 1mrn s LEU 139 CO -0.06 -2.95 1.10 0.00 -1.32 0.00 0.00 176.35 173.12 1mrn s ALA 140 N 10.76 3.50 -0.05 5.97 0.00 -1.26 -4.68 121.76 136.00 1mrn s ALA 140 Ca 0.71 0.43 -0.03 0.00 0.00 0.00 0.00 51.96 53.07 1mrn s ALA 140 Cb -0.05 -3.50 0.03 0.00 0.00 0.00 0.00 23.12 19.60 1mrn s ALA 140 CO 0.04 -0.78 0.12 0.14 0.00 0.00 0.00 175.76 175.28 1mrn s VAL 141 N 2.40 -0.03 0.20 0.00 -7.23 -1.26 -4.44 120.40 110.04 1mrn s VAL 141 Ca 0.51 0.12 -0.28 0.00 -1.81 0.00 0.00 61.98 60.51 1mrn s VAL 141 Cb -0.20 -0.19 -0.17 0.00 0.56 0.00 0.00 36.38 36.38 1mrn s VAL 141 CO 0.17 0.05 0.57 -1.54 -0.31 0.00 0.00 175.10 174.04 1mrn n SER 142 N 3.76 -1.04 0.25 4.85 3.41 -1.26 -4.64 113.62 118.95 1mrn n SER 142 Ca -0.21 1.13 0.08 0.00 -0.26 0.00 0.00 58.87 59.61 1mrn n SER 142 Cb 0.54 -0.97 0.64 0.00 -0.26 0.00 0.00 64.21 64.16 1mrn n SER 142 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mrn h ALA 143 N 1.13 2.01 0.06 7.33 0.00 -1.96 -0.01 119.26 127.83 1mrn h ALA 143 Ca -0.29 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1mrn h ALA 143 Cb 1.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1mrn h ALA 143 CO 0.57 -0.02 -0.03 1.05 0.00 0.00 0.00 179.25 180.83 1mrn h GLU 144 N 0.00 -0.08 -0.63 0.00 -0.00 -1.98 -1.58 114.58 110.32 1mrn h GLU 144 Ca 0.01 0.01 -0.04 0.00 -0.00 0.00 0.00 59.36 59.34 1mrn h GLU 144 Cb 0.03 0.02 -0.03 0.00 -0.00 0.00 0.00 28.75 28.77 1mrn h GLU 144 CO -0.00 0.44 0.25 1.37 -0.00 0.00 0.00 179.01 181.08 1mrn h LEU 145 N -0.66 0.86 -0.77 3.06 -0.00 -1.83 -2.51 115.31 113.44 1mrn h LEU 145 Ca -0.01 -0.17 -0.01 0.00 -0.00 0.00 0.00 57.88 57.70 1mrn h LEU 145 Cb 0.56 -0.22 -0.04 0.00 -0.00 0.00 0.00 40.66 40.96 1mrn h LEU 145 CO 0.01 0.79 0.45 0.00 -0.00 0.00 0.00 178.44 179.70 1mrn h ALA 146 N 1.10 0.99 -0.32 0.17 0.00 -1.05 -1.58 119.26 118.57 1mrn h ALA 146 Ca 0.21 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1mrn h ALA 146 Cb 0.20 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1mrn h ALA 146 CO -0.02 0.47 0.18 0.78 0.00 0.00 0.00 179.25 180.67 1mrn h GLY 147 N 1.06 0.46 1.04 0.00 0.00 -1.00 -2.08 103.07 102.55 1mrn h GLY 147 Ca 0.28 -0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 1mrn h GLY 147 CO -0.05 0.18 0.32 -2.09 0.00 0.00 0.00 176.54 174.89 1mrn h GLU 148 N 0.44 1.16 -0.39 4.80 4.22 -0.86 -0.77 114.58 123.17 1mrn h GLU 148 Ca 0.11 -0.21 -0.12 0.00 0.08 0.00 0.00 59.36 59.23 1mrn h GLU 148 Cb -0.00 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 1mrn h GLU 148 CO -0.02 0.94 -0.25 -0.09 -2.18 0.00 0.00 179.01 177.41 1mrn h ARG 149 N 1.13 0.79 -0.48 1.92 2.43 -1.13 -0.01 114.38 119.03 1mrn h ARG 149 Ca 0.26 -0.34 -0.05 0.00 -0.81 0.00 0.00 59.98 59.05 1mrn h ARG 149 Cb 0.21 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1mrn h ARG 149 CO -0.02 0.96 0.12 0.77 -1.51 0.00 0.00 179.97 180.29 1mrn h SER 150 N 0.69 0.72 -0.24 -3.80 0.02 -1.05 0.07 113.55 109.95 1mrn h SER 150 Ca 0.09 -0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 60.76 1mrn h SER 150 Cb 0.78 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 1mrn h SER 150 CO 0.06 0.76 -0.06 0.03 -1.14 0.00 0.00 176.83 176.49 1mrn h ARG 151 N 0.64 0.47 -0.85 3.45 3.08 -1.03 -2.23 114.38 117.92 1mrn h ARG 151 Ca 0.15 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1mrn h ARG 151 Cb 0.32 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 1mrn h ARG 151 CO 0.00 0.70 0.45 0.78 -1.07 0.00 0.00 179.97 180.83 1mrn h GLY 152 N 0.21 1.27 0.88 0.04 0.00 -0.93 -1.14 103.07 103.41 1mrn h GLY 152 Ca 0.06 -0.59 0.01 0.00 0.00 0.00 0.00 47.33 46.82 1mrn h GLY 152 CO 0.02 0.56 0.03 -0.09 0.00 0.00 0.00 176.54 177.06 1mrn h ARG 153 N 1.18 0.08 -0.45 4.80 2.43 -0.88 0.15 114.38 121.70 1mrn h ARG 153 Ca 0.30 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.42 1mrn h ARG 153 Cb 0.04 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1mrn h ARG 153 CO -0.05 0.05 0.10 0.00 -1.51 0.00 0.00 179.97 178.57 1mrn h ALA 154 N 1.08 1.35 -0.20 2.80 0.00 -1.12 -2.71 119.26 120.46 1mrn h ALA 154 Ca 0.05 -0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.60 1mrn h ALA 154 Cb 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1mrn h ALA 154 CO -0.06 0.47 -0.63 1.96 0.00 0.00 0.00 179.25 180.98 1mrn h GLN 155 N 0.65 0.71 0.00 0.00 1.08 -0.65 -3.24 115.11 113.65 1mrn h GLN 155 Ca 0.15 -0.49 0.00 0.00 -1.45 0.00 0.00 58.65 56.85 1mrn h GLN 155 Cb 0.25 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 1mrn h GLN 155 CO -0.00 1.11 0.00 2.89 -0.95 0.00 0.00 178.83 181.88 1mrn n ARG 156 N -3.95 0.10 -4.06 1.46 1.85 0.48 -4.70 116.66 107.84 1mrn n ARG 156 Ca -0.05 0.14 -0.32 0.00 -1.00 0.00 0.00 57.85 56.63 1mrn n ARG 156 Cb 0.66 -1.63 -0.16 0.00 -1.05 0.00 0.00 32.46 30.28 1mrn n ARG 156 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1mrn s ASP 157 N -3.62 3.29 0.13 2.89 -1.08 -1.04 -5.04 116.67 112.21 1mrn s ASP 157 Ca 0.11 -0.78 -0.22 0.00 -0.52 0.00 0.00 52.55 51.14 1mrn s ASP 157 Cb 0.15 -1.35 -0.01 0.00 -1.46 0.00 0.00 42.92 40.24 1mrn s ASP 157 CO 0.50 -0.08 1.67 1.55 0.52 0.00 0.00 175.17 179.33 1mrn h PRO 158 N 7.95 -0.16 -3.90 4.34 0.13 -1.84 -3.17 132.00 135.35 1mrn h PRO 158 Ca -0.35 0.01 -0.78 0.00 -0.87 0.00 0.00 66.00 64.01 1mrn h PRO 158 Cb 1.11 0.04 -0.24 0.00 0.13 0.00 0.00 31.00 32.04 1mrn h PRO 158 CO 0.54 -0.10 0.88 0.41 -0.23 0.00 0.00 178.00 179.50 1mrn n GLY 159 N -1.29 4.05 3.74 1.56 0.00 -1.26 -4.91 105.19 107.08 1mrn n GLY 159 Ca -0.02 -2.37 -0.02 0.00 0.00 0.00 0.00 46.02 43.60 1mrn n GLY 159 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1mrn s ARG 160 N -0.37 1.00 0.00 1.61 3.52 -1.20 -5.17 118.95 118.34 1mrn s ARG 160 Ca 0.36 -0.57 0.00 0.00 -0.13 0.00 0.00 55.73 55.39 1mrn s ARG 160 Cb -0.05 0.33 0.00 0.00 -1.56 0.00 0.00 34.95 33.67 1mrn s ARG 160 CO -0.03 -0.46 0.00 0.00 -0.81 0.00 0.00 175.30 174.00 1mrn n ALA 161 N -0.51 0.00 -1.23 6.12 0.00 -1.26 -4.98 120.51 118.65 1mrn n ALA 161 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.05 1mrn n ALA 161 Cb 0.61 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.16 1mrn n ALA 161 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1mrn s ARG 162 N -1.42 2.06 0.33 0.00 0.52 -1.26 -4.98 118.95 114.21 1mrn s ARG 162 Ca 0.00 1.51 0.04 0.00 -0.52 0.00 0.00 55.73 56.76 1mrn s ARG 162 Cb 0.00 -1.85 0.04 0.00 0.52 0.00 0.00 34.95 33.66 1mrn s ARG 162 CO 0.00 -1.84 0.29 -0.40 0.02 0.00 0.00 175.30 173.37 1mrn n ASP 163 N -3.15 1.87 -0.28 0.23 5.68 -1.26 -4.88 116.55 114.76 1mrn n ASP 163 Ca 0.12 -2.08 0.18 0.00 -0.50 0.00 0.00 54.79 52.51 1mrn n ASP 163 Cb 0.52 -0.07 0.46 0.00 -1.14 0.00 0.00 41.12 40.89 1mrn n ASP 163 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 1mrn h ASN 164 N 0.32 0.51 0.01 -1.12 2.35 -1.71 -0.30 115.58 115.64 1mrn h ASN 164 Ca -0.20 0.06 -0.21 0.00 -0.55 0.00 0.00 56.30 55.40 1mrn h ASN 164 Cb 0.75 -0.03 0.02 0.00 0.05 0.00 0.00 38.32 39.11 1mrn h ASN 164 CO 0.30 0.18 -0.84 1.88 -1.65 0.00 0.00 177.43 177.31 1mrn h TYR 165 N 0.49 0.83 0.00 1.19 0.05 -1.92 -3.05 116.97 114.56 1mrn h TYR 165 Ca 0.52 -0.46 -0.05 0.00 0.05 0.00 0.00 58.73 58.79 1mrn h TYR 165 Cb 1.16 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.80 1mrn h TYR 165 CO -0.00 1.29 -0.23 0.93 -1.05 0.00 0.00 178.16 179.09 1mrn h GLU 166 N 0.13 0.00 0.00 4.88 5.08 -1.73 -2.69 114.58 120.25 1mrn h GLU 166 Ca -0.11 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 1mrn h GLU 166 Cb 1.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.77 1mrn h GLU 166 CO 0.16 0.23 -0.40 0.00 -1.00 0.00 0.00 179.01 178.01 1mrn h ARG 167 N 0.00 0.00 -5.22 2.33 3.08 -1.14 -3.41 114.38 110.02 1mrn h ARG 167 Ca -0.00 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.38 1mrn h ARG 167 Cb 0.69 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.58 1mrn h ARG 167 CO 0.03 0.19 0.78 0.34 -1.07 0.00 0.00 179.97 180.25 1mrn s ASP 168 N -6.16 6.48 0.15 7.04 -1.08 -1.01 -4.89 116.67 117.19 1mrn s ASP 168 Ca 0.04 -1.68 -0.15 0.00 -0.52 0.00 0.00 52.55 50.24 1mrn s ASP 168 Cb 0.07 -2.42 0.02 0.00 -1.46 0.00 0.00 42.92 39.13 1mrn s ASP 168 CO 0.72 -1.21 1.73 0.00 0.52 0.00 0.00 175.17 176.93 1mrn h ALA 169 N 9.13 0.58 -0.11 3.66 0.00 -1.81 -2.00 119.26 128.70 1mrn h ALA 169 Ca 0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1mrn h ALA 169 Cb 1.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1mrn h ALA 169 CO 1.15 0.14 -0.00 0.93 0.00 0.00 0.00 179.25 181.47 1mrn h GLU 170 N 0.58 0.15 -0.26 0.00 3.07 -1.95 -0.70 114.58 115.48 1mrn h GLU 170 Ca 0.15 -0.02 -0.07 0.00 -0.50 0.00 0.00 59.36 58.92 1mrn h GLU 170 Cb 0.12 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.99 1mrn h GLU 170 CO -0.02 0.17 -0.13 1.25 -1.40 0.00 0.00 179.01 178.88 1mrn h LEU 171 N 0.15 0.56 -0.92 1.33 5.85 -1.78 -2.06 115.31 118.44 1mrn h LEU 171 Ca 0.04 -0.41 0.05 0.00 0.84 0.00 0.00 57.88 58.39 1mrn h LEU 171 Cb 0.11 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.93 1mrn h LEU 171 CO 0.00 0.85 0.59 1.56 -0.34 0.00 0.00 178.44 181.10 1mrn h GLN 172 N 0.27 1.07 -0.26 1.25 1.08 -0.55 -1.10 115.11 116.87 1mrn h GLN 172 Ca 0.06 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.15 1mrn h GLN 172 Cb 0.64 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 1mrn h GLN 172 CO 0.04 0.71 -0.01 1.96 -0.95 0.00 0.00 178.83 180.57 1mrn h GLN 173 N 1.10 0.46 0.00 1.46 4.20 -1.08 -1.66 115.11 119.59 1mrn h GLN 173 Ca 0.38 -0.15 -0.08 0.00 0.06 0.00 0.00 58.65 58.86 1mrn h GLN 173 Cb 0.09 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1mrn h GLN 173 CO -0.15 0.64 -0.37 0.00 -0.67 0.00 0.00 178.83 178.29 1mrn h ARG 174 N 0.23 0.00 -0.16 1.46 3.08 -1.13 -1.90 114.38 115.96 1mrn h ARG 174 Ca 0.07 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.93 1mrn h ARG 174 Cb 0.44 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.50 1mrn h ARG 174 CO 0.02 0.37 -0.65 1.15 -1.07 0.00 0.00 179.97 179.79 1mrn h THR 175 N 0.00 1.30 -0.58 2.04 2.02 -1.10 -0.79 112.91 115.80 1mrn h THR 175 Ca -0.00 -1.88 0.03 0.00 0.77 0.00 0.00 66.41 65.33 1mrn h THR 175 Cb 0.69 1.99 -0.04 0.00 -1.74 0.00 0.00 68.15 69.05 1mrn h THR 175 CO 0.05 0.59 0.34 1.23 0.37 0.00 0.00 175.52 178.09 1mrn h GLY 176 N 0.42 0.82 0.99 2.16 0.00 -1.01 0.43 103.07 106.89 1mrn h GLY 176 Ca -0.04 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1mrn h GLY 176 CO 0.14 0.20 0.20 0.00 0.00 0.00 0.00 176.54 177.08 1mrn h ALA 177 N 1.27 0.40 -0.20 3.60 0.00 -1.15 -1.55 119.26 121.63 1mrn h ALA 177 Ca 0.24 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 1mrn h ALA 177 Cb 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1mrn h ALA 177 CO -0.12 -0.12 -0.34 0.28 0.00 0.00 0.00 179.25 178.95 1mrn h VAL 178 N 0.42 1.29 -0.92 0.00 2.07 -0.64 -2.15 116.25 116.32 1mrn h VAL 178 Ca 0.12 -1.43 -0.01 0.00 0.82 0.00 0.00 66.70 66.19 1mrn h VAL 178 Cb -0.03 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1mrn h VAL 178 CO -0.02 0.44 0.52 1.88 0.02 0.00 0.00 177.57 180.41 1mrn h TYR 179 N 0.36 1.24 -0.60 1.57 0.05 0.23 -0.65 116.97 119.17 1mrn h TYR 179 Ca 0.04 -0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.76 1mrn h TYR 179 Cb 0.78 -0.40 -0.03 0.00 1.01 0.00 0.00 36.73 38.09 1mrn h TYR 179 CO 0.02 0.84 0.19 0.00 -1.05 0.00 0.00 178.16 178.17 1mrn h ALA 180 N 1.30 0.78 -0.53 3.88 0.00 -0.84 -2.35 119.26 121.50 1mrn h ALA 180 Ca 0.33 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1mrn h ALA 180 Cb -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1mrn h ALA 180 CO -0.06 0.44 -0.03 0.93 0.00 0.00 0.00 179.25 180.54 1mrn h GLU 181 N 0.85 0.92 -0.49 0.00 5.08 -0.76 -2.53 114.58 117.65 1mrn h GLU 181 Ca 0.19 -0.29 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 1mrn h GLU 181 Cb 0.28 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1mrn h GLU 181 CO -0.01 0.93 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.84 1mrn h LEU 182 N 0.85 0.81 -0.35 1.33 3.38 -0.95 -2.37 115.31 118.01 1mrn h LEU 182 Ca 0.15 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 1mrn h LEU 182 Cb 0.54 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1mrn h LEU 182 CO 0.03 0.89 -0.21 0.00 0.09 0.00 0.00 178.44 179.24 1mrn h ALA 183 N 1.20 0.49 -0.86 1.53 0.00 -1.32 -0.46 119.26 119.84 1mrn h ALA 183 Ca 0.14 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1mrn h ALA 183 Cb 0.50 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1mrn h ALA 183 CO 0.03 0.45 0.49 0.00 0.00 0.00 0.00 179.25 180.21 1mrn h ALA 184 N 0.77 1.24 -0.28 0.00 0.00 -1.32 -1.92 119.26 117.75 1mrn h ALA 184 Ca 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1mrn h ALA 184 Cb 0.76 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1mrn h ALA 184 CO 0.06 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.94 1mrn n GLN 185 N -4.35 1.91 -3.83 0.00 10.64 -0.90 -4.95 117.38 115.90 1mrn n GLN 185 Ca 0.09 -1.39 -0.25 0.00 -1.83 0.00 0.00 57.00 53.62 1mrn n GLN 185 Cb 0.09 -1.39 0.02 0.00 -0.86 0.00 0.00 30.24 28.10 1mrn n GLN 185 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1mrn n GLY 186 N 1.19 -0.36 3.71 2.61 0.00 -0.45 -4.91 105.19 106.99 1mrn n GLY 186 Ca 0.16 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 1mrn n GLY 186 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1mrn s TRP 187 N -3.57 2.71 0.00 1.61 -0.00 -0.31 -2.55 118.94 116.83 1mrn s TRP 187 Ca 0.26 0.25 0.00 0.00 -0.00 0.00 0.00 56.10 56.61 1mrn s TRP 187 Cb -0.13 -4.15 0.00 0.00 -0.00 0.00 0.00 33.47 29.19 1mrn s TRP 187 CO 0.83 -4.45 0.00 0.41 -0.00 0.00 0.00 176.95 173.74 1mrn n GLY 188 N 4.04 0.23 0.00 5.86 0.00 -1.26 -4.78 105.19 109.29 1mrn n GLY 188 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1mrn n GLY 188 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mrn n GLY 189 N -1.14 -0.06 3.83 -0.02 0.00 -1.06 -4.09 105.19 102.66 1mrn n GLY 189 Ca 0.00 -1.68 -0.35 0.00 0.00 0.00 0.00 46.02 43.99 1mrn n GLY 189 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1mrn s ARG 190 N -1.81 4.12 0.14 1.61 1.70 -1.25 -4.54 118.95 118.92 1mrn s ARG 190 Ca 0.00 0.71 0.08 0.00 -0.47 0.00 0.00 55.73 56.05 1mrn s ARG 190 Cb 0.00 -2.81 -0.04 0.00 -0.57 0.00 0.00 34.95 31.53 1mrn s ARG 190 CO 0.00 0.37 -0.10 -1.58 -1.08 0.00 0.00 175.30 172.92 1mrn s TRP 191 N -1.60 2.69 -0.17 5.89 0.52 -1.26 -1.32 118.94 123.69 1mrn s TRP 191 Ca 0.44 -0.19 -0.01 0.00 0.02 0.00 0.00 56.10 56.35 1mrn s TRP 191 Cb -0.15 -1.36 0.05 0.00 -1.15 0.00 0.00 33.47 30.86 1mrn s TRP 191 CO 0.20 0.47 -0.01 -0.51 0.02 0.00 0.00 176.95 177.11 1mrn s LEU 192 N -2.52 1.37 -0.47 2.99 1.43 -0.69 -4.93 118.68 115.85 1mrn s LEU 192 Ca 0.23 -0.67 -0.19 0.00 -1.03 0.00 0.00 54.13 52.47 1mrn s LEU 192 Cb -0.10 -0.74 0.04 0.00 0.03 0.00 0.00 46.19 45.42 1mrn s LEU 192 CO 0.14 -0.24 0.59 -0.69 0.23 0.00 0.00 176.35 176.39 1mrn s VAL 193 N 1.75 4.90 0.00 -1.59 1.01 -1.26 -1.13 120.40 124.08 1mrn s VAL 193 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1mrn s VAL 193 Cb -0.16 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.01 1mrn s VAL 193 CO -0.07 -0.66 0.00 1.33 0.00 0.00 0.00 175.10 175.70 1mrn n VAL 194 N 5.66 0.00 -3.81 2.92 0.24 -1.18 -4.98 118.33 117.18 1mrn n VAL 194 Ca -0.05 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.21 1mrn n VAL 194 Cb 0.47 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.84 1mrn n VAL 194 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1mrn s GLY 195 N 0.00 -0.03 0.31 7.63 0.00 -1.26 -4.18 107.32 109.79 1mrn s GLY 195 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 44.72 44.54 1mrn s GLY 195 CO 0.00 0.74 1.97 0.00 0.00 0.00 0.00 173.10 175.81 1mrn h ALA 196 N 2.00 1.44 -0.17 3.20 0.00 -1.93 -1.27 119.26 122.53 1mrn h ALA 196 Ca -0.26 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1mrn h ALA 196 Cb 1.23 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1mrn h ALA 196 CO 0.31 0.51 0.00 -0.40 0.00 0.00 0.00 179.25 179.67 1mrn n ASP 197 N -4.42 2.31 -4.74 0.00 5.75 -1.26 -4.91 116.55 109.28 1mrn n ASP 197 Ca 0.09 -2.26 -0.41 0.00 -0.01 0.00 0.00 54.79 52.20 1mrn n ASP 197 Cb 0.04 -0.53 -0.03 0.00 -1.03 0.00 0.00 41.12 39.56 1mrn n ASP 197 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1mrn s VAL 198 N -1.52 3.20 -0.45 2.12 0.11 -0.48 -4.96 120.40 118.43 1mrn s VAL 198 Ca 0.16 1.02 -0.26 0.00 -2.93 0.00 0.00 61.98 59.97 1mrn s VAL 198 Cb 0.12 -3.65 0.03 0.00 -1.53 0.00 0.00 36.38 31.34 1mrn s VAL 198 CO 0.05 0.17 0.96 -0.62 -3.33 0.00 0.00 175.10 172.33 1mrn s ASP 199 N 0.15 6.56 0.21 3.54 2.15 -1.26 -4.92 116.67 123.10 1mrn s ASP 199 Ca 0.55 0.26 -0.11 0.00 0.43 0.00 0.00 52.55 53.68 1mrn s ASP 199 Cb -0.36 -2.47 0.29 0.00 -0.30 0.00 0.00 42.92 40.08 1mrn s ASP 199 CO 0.40 -1.04 1.66 -0.65 -0.17 0.00 0.00 175.17 175.36 1mrn h PRO 200 N 8.98 0.10 -0.58 4.34 0.11 -1.93 -0.71 132.00 142.32 1mrn h PRO 200 Ca -0.24 -0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.98 1mrn h PRO 200 Cb 1.07 -0.02 -0.11 0.00 0.11 0.00 0.00 31.00 32.05 1mrn h PRO 200 CO 1.03 0.06 -0.23 0.78 -0.21 0.00 0.00 178.00 179.44 1mrn h GLY 201 N 0.10 0.20 0.43 -0.55 0.00 -1.91 0.34 103.07 101.67 1mrn h GLY 201 Ca 0.32 0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.93 1mrn h GLY 201 CO -0.54 -0.23 -0.21 3.21 0.00 0.00 0.00 176.54 178.77 1mrn h ARG 202 N -0.09 -0.56 -0.69 4.80 3.08 -1.84 -2.89 114.38 116.20 1mrn h ARG 202 Ca 0.26 0.04 0.20 0.00 0.07 0.00 0.00 59.98 60.55 1mrn h ARG 202 Cb 0.50 0.13 -0.13 0.00 0.08 0.00 0.00 29.97 30.55 1mrn h ARG 202 CO -0.64 -0.37 0.06 -0.11 -1.07 0.00 0.00 179.97 177.84 1mrn n LEU 203 N -4.87 -0.04 0.16 3.04 0.00 -0.32 0.47 117.00 115.44 1mrn n LEU 203 Ca -0.07 1.17 0.01 0.00 0.00 0.00 0.00 56.01 57.12 1mrn n LEU 203 Cb 0.23 -0.44 0.31 0.00 0.00 0.00 0.00 43.42 43.51 1mrn n LEU 203 CO 0.17 -1.20 0.68 0.00 0.00 0.00 0.00 177.39 177.04 1mrn h ALA 204 N 1.38 1.28 0.00 1.96 0.00 -0.95 -1.69 119.26 121.25 1mrn h ALA 204 Ca 0.44 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1mrn h ALA 204 Cb 0.95 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1mrn h ALA 204 CO -0.64 0.53 -0.39 0.00 0.00 0.00 0.00 179.25 178.75 1mrn h ALA 205 N 1.55 1.01 0.04 0.00 0.00 1.06 -2.77 119.26 120.15 1mrn h ALA 205 Ca -0.00 -0.36 -0.24 0.00 0.00 0.00 0.00 54.91 54.31 1mrn h ALA 205 Cb 0.75 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1mrn h ALA 205 CO 0.06 0.49 -1.04 1.15 0.00 0.00 0.00 179.25 179.91 1mrn h THR 206 N 0.00 1.43 -0.34 0.00 2.02 -0.14 -3.38 112.91 112.50 1mrn h THR 206 Ca -0.00 -2.63 -0.67 0.00 0.77 0.00 0.00 66.41 63.88 1mrn h THR 206 Cb 0.90 2.58 -0.05 0.00 -1.74 0.00 0.00 68.15 69.85 1mrn h THR 206 CO 0.05 0.78 2.60 0.18 0.37 0.00 0.00 175.52 179.50 1mrn n LEU 207 N -3.69 5.69 -0.27 2.58 4.77 -0.70 -5.10 117.00 120.28 1mrn n LEU 207 Ca -0.07 -3.89 0.03 0.00 -0.03 0.00 0.00 56.01 52.05 1mrn n LEU 207 Cb 0.89 -1.65 0.03 0.00 -2.33 0.00 0.00 43.42 40.37 1mrn n LEU 207 CO 0.52 0.45 0.36 0.00 -1.33 0.00 0.00 177.39 177.39