#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n5i s LEU 2 N 0.00 2.81 -0.09 -0.89 2.96 -1.26 -1.40 118.68 120.81 1n5i s LEU 2 Ca 0.00 -0.41 0.05 0.00 -0.22 0.00 0.00 54.13 53.54 1n5i s LEU 2 Cb 0.00 -1.70 -0.00 0.00 0.50 0.00 0.00 46.19 44.98 1n5i s LEU 2 CO 0.00 -0.00 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.16 1n5i s ILE 3 N 1.37 2.03 -0.12 6.68 1.01 -0.27 -0.24 121.20 131.66 1n5i s ILE 3 Ca 0.05 -1.02 0.01 0.00 0.00 0.00 0.00 60.65 59.68 1n5i s ILE 3 Cb -0.14 -1.74 -0.01 0.00 0.01 0.00 0.00 42.46 40.57 1n5i s ILE 3 CO -0.04 0.56 -0.14 0.00 0.00 0.00 0.00 174.94 175.32 1n5i s ALA 4 N 0.20 2.57 -0.26 9.38 0.00 -0.38 -0.36 121.76 132.92 1n5i s ALA 4 Ca -0.14 -0.90 -0.13 0.00 0.00 0.00 0.00 51.96 50.78 1n5i s ALA 4 Cb -0.17 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.76 1n5i s ALA 4 CO 0.07 0.28 0.28 0.42 0.00 0.00 0.00 175.76 176.81 1n5i s ILE 5 N 0.27 5.25 0.32 0.00 -1.09 0.51 -0.57 121.20 125.89 1n5i s ILE 5 Ca -0.10 0.39 0.10 0.00 -2.23 0.00 0.00 60.65 58.81 1n5i s ILE 5 Cb -0.16 -3.61 -0.06 0.00 -1.58 0.00 0.00 42.46 37.05 1n5i s ILE 5 CO 0.06 0.23 -0.09 -1.61 -1.23 0.00 0.00 174.94 172.30 1n5i s GLU 6 N 1.71 1.89 0.00 2.79 0.41 0.14 -1.16 118.70 124.48 1n5i s GLU 6 Ca 0.12 -1.79 0.00 0.00 -0.41 0.00 0.00 54.97 52.88 1n5i s GLU 6 Cb -0.15 -1.82 0.00 0.00 -1.78 0.00 0.00 34.13 30.37 1n5i s GLU 6 CO 0.09 0.22 0.00 0.41 -0.49 0.00 0.00 175.26 175.49 1n5i n GLY 7 N -0.79 3.04 3.75 -1.39 0.00 -1.26 -1.28 105.19 107.26 1n5i n GLY 7 Ca -0.05 -1.19 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 1n5i n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1n5i s VAL 8 N -2.00 2.80 0.29 1.61 -7.23 -1.26 -4.91 120.40 109.70 1n5i s VAL 8 Ca 0.00 0.26 -0.30 0.00 -1.81 0.00 0.00 61.98 60.14 1n5i s VAL 8 Cb 0.00 -2.84 -0.11 0.00 0.56 0.00 0.00 36.38 34.00 1n5i s VAL 8 CO 0.00 -0.34 1.47 -1.81 -0.31 0.00 0.00 175.10 174.11 1n5i s ASP 9 N -3.59 6.55 0.00 4.85 1.01 -1.26 -1.93 116.67 122.30 1n5i s ASP 9 Ca 0.62 2.80 0.00 0.00 0.71 0.00 0.00 52.55 56.69 1n5i s ASP 9 Cb -0.17 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.13 1n5i s ASP 9 CO 0.56 -0.76 0.00 0.61 0.21 0.00 0.00 175.17 175.79 1n5i n GLY 10 N 1.77 0.74 0.20 0.21 0.00 -1.26 -4.59 105.19 102.25 1n5i n GLY 10 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.15 1n5i n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n5i h ALA 11 N 0.00 0.94 0.00 4.61 0.00 -1.67 -3.40 119.26 119.74 1n5i h ALA 11 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1n5i h ALA 11 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1n5i h ALA 11 CO 0.00 0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.06 1n5i n GLY 12 N 0.43 1.59 0.12 0.00 0.00 -1.26 -4.90 105.19 101.17 1n5i n GLY 12 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 1n5i n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n5i h LYS 13 N 0.00 0.33 -0.92 1.61 1.57 -1.91 -2.30 116.57 114.95 1n5i h LYS 13 Ca 0.00 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1n5i h LYS 13 Cb 0.00 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.19 1n5i h LYS 13 CO 0.00 0.24 0.61 -0.09 -0.57 0.00 0.00 179.45 179.64 1n5i h ARG 14 N 0.32 1.15 -0.62 3.15 9.65 -1.98 -0.97 114.38 125.07 1n5i h ARG 14 Ca 0.09 -0.07 -0.07 0.00 -1.10 0.00 0.00 59.98 58.83 1n5i h ARG 14 Cb -0.01 -0.26 -0.02 0.00 -1.39 0.00 0.00 29.97 28.28 1n5i h ARG 14 CO -0.02 0.76 0.11 1.15 2.80 0.00 0.00 179.97 184.78 1n5i h THR 15 N 1.18 1.26 -0.65 0.20 2.02 -1.95 -2.09 112.91 112.88 1n5i h THR 15 Ca 0.36 -0.99 -0.06 0.00 0.77 0.00 0.00 66.41 66.49 1n5i h THR 15 Cb -0.04 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1n5i h THR 15 CO -0.10 0.37 0.15 0.25 0.37 0.00 0.00 175.52 176.56 1n5i h LEU 16 N 0.93 0.97 -0.56 2.58 5.85 -0.79 -1.20 115.31 123.09 1n5i h LEU 16 Ca 0.19 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1n5i h LEU 16 Cb 0.41 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1n5i h LEU 16 CO 0.01 0.94 0.32 0.58 -0.34 0.00 0.00 178.44 179.95 1n5i h VAL 17 N 0.98 1.18 -0.05 1.05 2.07 -0.94 0.15 116.25 120.69 1n5i h VAL 17 Ca 0.21 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 1n5i h VAL 17 Cb 0.35 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1n5i h VAL 17 CO 0.00 0.19 0.02 -0.33 0.02 0.00 0.00 177.57 177.47 1n5i h GLU 18 N 0.75 0.07 -0.67 1.57 3.07 -0.98 0.29 114.58 118.68 1n5i h GLU 18 Ca 0.20 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 59.00 1n5i h GLU 18 Cb 0.02 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 27.89 1n5i h GLU 18 CO -0.03 0.17 0.24 0.87 -1.40 0.00 0.00 179.01 178.86 1n5i h LYS 19 N -0.06 1.02 -0.56 2.33 1.57 -1.05 -2.29 116.57 117.54 1n5i h LYS 19 Ca 0.02 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.54 1n5i h LYS 19 Cb 0.13 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1n5i h LYS 19 CO -0.00 0.87 0.12 1.25 -0.57 0.00 0.00 179.45 181.11 1n5i h LEU 20 N 0.96 0.87 -0.66 2.94 5.85 -0.58 -1.65 115.31 123.02 1n5i h LEU 20 Ca 0.22 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.74 1n5i h LEU 20 Cb 0.25 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 1n5i h LEU 20 CO -0.01 0.89 0.40 0.28 -0.34 0.00 0.00 178.44 179.65 1n5i h SER 21 N 0.81 0.63 -0.68 1.25 0.02 -0.68 -0.32 113.55 114.58 1n5i h SER 21 Ca 0.17 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 1n5i h SER 21 Cb 0.37 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 1n5i h SER 21 CO 0.01 0.43 0.28 1.23 -1.14 0.00 0.00 176.83 177.64 1n5i h GLY 22 N 0.77 1.08 0.96 -3.77 0.00 -1.14 -1.08 103.07 99.89 1n5i h GLY 22 Ca 0.28 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1n5i h GLY 22 CO -0.13 0.55 0.18 0.00 0.00 0.00 0.00 176.54 177.14 1n5i h ALA 23 N 1.13 0.42 -0.27 3.60 0.00 -0.52 -0.00 119.26 123.62 1n5i h ALA 23 Ca 0.23 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1n5i h ALA 23 Cb 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1n5i h ALA 23 CO -0.02 -0.05 0.13 0.74 0.00 0.00 0.00 179.25 180.04 1n5i h PHE 24 N 0.41 0.39 -0.06 0.00 0.04 -0.89 -2.09 116.94 114.75 1n5i h PHE 24 Ca 0.12 -0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.83 1n5i h PHE 24 Cb 0.05 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.08 1n5i h PHE 24 CO -0.03 0.37 -0.12 0.00 -0.60 0.00 0.00 178.31 177.93 1n5i h ARG 25 N 0.30 0.08 -0.06 1.51 3.08 -1.02 -0.40 114.38 117.87 1n5i h ARG 25 Ca 0.09 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 1n5i h ARG 25 Cb 0.13 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1n5i h ARG 25 CO -0.01 0.21 -0.36 0.00 -1.07 0.00 0.00 179.97 178.74 1n5i h ALA 26 N 1.80 1.29 -0.09 0.04 0.00 -0.55 -1.83 119.26 119.92 1n5i h ALA 26 Ca 0.02 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1n5i h ALA 26 Cb 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1n5i h ALA 26 CO 0.02 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.77 1n5i n ALA 27 N -2.47 2.55 -0.83 0.00 0.00 -0.24 -4.89 120.51 114.63 1n5i n ALA 27 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1n5i n ALA 27 Cb 0.42 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1n5i n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n5i n GLY 28 N 0.91 0.49 3.82 0.00 0.00 -0.69 -5.06 105.19 104.67 1n5i n GLY 28 Ca 0.13 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 1n5i n GLY 28 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n5i s ARG 29 N -1.54 3.24 0.19 1.61 1.81 -0.71 -5.00 118.95 118.55 1n5i s ARG 29 Ca 0.00 -0.34 -0.29 0.00 -1.72 0.00 0.00 55.73 53.38 1n5i s ARG 29 Cb 0.00 -2.99 -0.08 0.00 -0.45 0.00 0.00 34.95 31.43 1n5i s ARG 29 CO 0.00 0.70 0.90 -1.54 -0.68 0.00 0.00 175.30 174.68 1n5i s SER 30 N -1.48 7.54 -0.02 0.23 1.04 -1.26 -3.75 113.70 116.00 1n5i s SER 30 Ca 0.20 1.83 0.04 0.00 0.48 0.00 0.00 55.95 58.50 1n5i s SER 30 Cb -0.12 -2.58 -0.01 0.00 0.10 0.00 0.00 66.02 63.42 1n5i s SER 30 CO 0.11 0.11 -0.14 -0.69 0.98 0.00 0.00 173.24 173.61 1n5i s VAL 31 N -0.85 1.11 0.06 5.02 1.01 -1.26 -1.48 120.40 124.01 1n5i s VAL 31 Ca 0.41 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 61.88 1n5i s VAL 31 Cb -0.25 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 1n5i s VAL 31 CO 0.30 0.32 -0.18 0.00 0.00 0.00 0.00 175.10 175.54 1n5i s ALA 32 N -0.15 1.49 0.01 5.51 0.00 -0.57 -5.01 121.76 123.04 1n5i s ALA 32 Ca 0.02 -1.03 0.04 0.00 0.00 0.00 0.00 51.96 50.99 1n5i s ALA 32 Cb -0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 1n5i s ALA 32 CO 0.00 0.29 -0.12 0.95 0.00 0.00 0.00 175.76 176.89 1n5i s THR 33 N -0.99 0.92 -0.01 0.00 -4.23 -1.26 -0.72 115.64 109.34 1n5i s THR 33 Ca 0.04 -0.64 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 1n5i s THR 33 Cb -0.09 -0.79 0.01 0.00 1.34 0.00 0.00 72.50 72.97 1n5i s THR 33 CO 0.02 0.15 -0.00 -0.22 -0.54 0.00 0.00 174.62 174.04 1n5i s LEU 34 N -0.55 1.55 -0.05 4.79 2.96 -0.43 -4.96 118.68 121.99 1n5i s LEU 34 Ca 0.03 -0.01 0.04 0.00 -0.22 0.00 0.00 54.13 53.97 1n5i s LEU 34 Cb -0.05 -0.12 -0.02 0.00 0.50 0.00 0.00 46.19 46.50 1n5i s LEU 34 CO 0.00 -0.05 -0.17 0.00 -1.32 0.00 0.00 176.35 174.81 1n5i s ALA 35 N 0.52 2.54 -0.01 5.97 0.00 -1.26 -1.02 121.76 128.50 1n5i s ALA 35 Ca -0.05 -1.00 0.06 0.00 0.00 0.00 0.00 51.96 50.97 1n5i s ALA 35 Cb -0.07 -0.89 -0.03 0.00 0.00 0.00 0.00 23.12 22.13 1n5i s ALA 35 CO -0.01 0.52 -0.18 -0.06 0.00 0.00 0.00 175.76 176.02 1n5i s PHE 36 N -0.60 2.56 0.62 0.00 0.08 -0.73 -3.71 117.98 116.20 1n5i s PHE 36 Ca 0.09 -0.26 -0.16 0.00 0.12 0.00 0.00 56.93 56.71 1n5i s PHE 36 Cb -0.11 -1.54 -0.02 0.00 -0.57 0.00 0.00 43.02 40.78 1n5i s PHE 36 CO 0.01 0.16 1.11 -2.14 -0.10 0.00 0.00 175.22 174.26 1n5i s PRO 37 N -0.96 3.01 -1.36 0.24 0.02 -1.26 -4.63 135.00 130.05 1n5i s PRO 37 Ca 0.12 1.45 -0.10 0.00 0.02 0.00 0.00 61.00 62.49 1n5i s PRO 37 Cb -0.10 -1.97 0.11 0.00 0.02 0.00 0.00 34.50 32.55 1n5i s PRO 37 CO 0.02 -1.10 2.13 0.54 -0.33 0.00 0.00 177.00 178.27 1n5i n ARG 38 N -2.04 3.57 -1.64 5.54 1.74 -1.24 -4.99 116.66 117.60 1n5i n ARG 38 Ca 0.11 -3.16 -0.42 0.00 -0.77 0.00 0.00 57.85 53.60 1n5i n ARG 38 Cb 0.52 -2.97 0.00 0.00 -1.02 0.00 0.00 32.46 28.99 1n5i n ARG 38 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1n5i n TYR 39 N 4.10 1.58 0.00 -1.55 4.01 -1.26 -1.24 117.16 122.80 1n5i n TYR 39 Ca 0.49 0.59 0.00 0.00 -0.16 0.00 0.00 57.90 58.82 1n5i n TYR 39 Cb 0.34 -2.30 0.00 0.00 -0.31 0.00 0.00 39.34 37.08 1n5i n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1n5i n GLY 40 N 1.05 1.62 0.09 2.72 0.00 -1.26 -4.60 105.19 104.81 1n5i n GLY 40 Ca 0.08 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 1n5i n GLY 40 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1n5i h GLN 41 N 0.00 0.17 -5.09 1.61 4.15 -1.87 -3.44 115.11 110.64 1n5i h GLN 41 Ca 0.00 -0.28 -0.66 0.00 0.77 0.00 0.00 58.65 58.47 1n5i h GLN 41 Cb 0.00 0.11 -0.31 0.00 0.21 0.00 0.00 27.48 27.48 1n5i h GLN 41 CO 0.00 1.10 -0.80 0.45 -1.93 0.00 0.00 178.83 177.65 1n5i s SER 42 N -6.93 3.66 0.22 -0.69 0.15 -0.37 -5.00 113.70 104.74 1n5i s SER 42 Ca -0.03 -0.51 -0.08 0.00 0.70 0.00 0.00 55.95 56.03 1n5i s SER 42 Cb 0.08 -1.58 0.18 0.00 -1.71 0.00 0.00 66.02 62.99 1n5i s SER 42 CO 0.86 0.02 1.84 0.58 1.20 0.00 0.00 173.24 177.74 1n5i h VAL 43 N 5.78 1.25 -0.44 4.45 2.07 -1.88 -1.86 116.25 125.62 1n5i h VAL 43 Ca -0.40 -0.64 0.05 0.00 0.82 0.00 0.00 66.70 66.53 1n5i h VAL 43 Cb 1.16 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1n5i h VAL 43 CO 0.60 0.28 0.19 0.00 0.02 0.00 0.00 177.57 178.66 1n5i h ALA 44 N 1.24 0.54 -0.53 1.67 0.00 -1.94 0.59 119.26 120.83 1n5i h ALA 44 Ca 0.30 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1n5i h ALA 44 Cb 0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1n5i h ALA 44 CO -0.05 -0.19 0.32 0.00 0.00 0.00 0.00 179.25 179.34 1n5i h ALA 45 N 1.26 0.67 -0.31 0.00 0.00 -1.67 -1.03 119.26 118.18 1n5i h ALA 45 Ca 0.20 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1n5i h ALA 45 Cb 0.16 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1n5i h ALA 45 CO -0.18 0.16 0.02 -0.44 0.00 0.00 0.00 179.25 178.81 1n5i h ASP 46 N 0.71 0.52 -0.92 0.00 3.32 -0.83 -1.68 116.42 117.55 1n5i h ASP 46 Ca 0.19 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1n5i h ASP 46 Cb -0.02 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 1n5i h ASP 46 CO -0.04 0.68 0.58 0.40 -1.72 0.00 0.00 179.24 179.15 1n5i h ILE 47 N 0.35 1.24 -0.20 0.35 2.04 -0.77 0.18 117.51 120.70 1n5i h ILE 47 Ca 0.09 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 1n5i h ILE 47 Cb 0.40 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 1n5i h ILE 47 CO 0.01 0.24 0.11 0.00 0.00 0.00 0.00 178.15 178.52 1n5i h ALA 48 N 1.32 0.26 -0.59 1.87 0.00 -0.98 0.69 119.26 121.83 1n5i h ALA 48 Ca 0.33 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1n5i h ALA 48 Cb -0.11 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1n5i h ALA 48 CO -0.07 -0.22 0.32 0.00 0.00 0.00 0.00 179.25 179.28 1n5i h ALA 49 N 1.01 0.76 -0.83 0.00 0.00 -0.88 -1.70 119.26 117.62 1n5i h ALA 49 Ca 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1n5i h ALA 49 Cb 0.05 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1n5i h ALA 49 CO -0.01 0.29 0.45 0.93 0.00 0.00 0.00 179.25 180.90 1n5i h GLU 50 N 0.80 1.17 -0.47 0.00 5.08 -0.71 -1.65 114.58 118.80 1n5i h GLU 50 Ca 0.21 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1n5i h GLU 50 Cb 0.06 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 1n5i h GLU 50 CO -0.03 0.87 0.20 0.00 -1.00 0.00 0.00 179.01 179.04 1n5i h ALA 51 N 1.24 1.48 0.00 3.43 0.00 -0.40 -0.39 119.26 124.63 1n5i h ALA 51 Ca 0.29 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1n5i h ALA 51 Cb 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1n5i h ALA 51 CO -0.05 0.41 0.00 1.28 0.00 0.00 0.00 179.25 180.89 1n5i n LEU 52 N -4.37 0.00 -0.34 0.00 4.77 -0.65 -2.85 117.00 113.55 1n5i n LEU 52 Ca 0.04 0.03 0.08 0.00 -0.03 0.00 0.00 56.01 56.13 1n5i n LEU 52 Cb 0.14 -0.03 0.17 0.00 -2.33 0.00 0.00 43.42 41.37 1n5i n LEU 52 CO 0.37 -0.00 0.48 1.41 -1.33 0.00 0.00 177.39 178.32 1n5i n HIS 53 N -1.03 0.04 -0.28 -1.77 8.25 -0.23 -0.31 115.22 119.89 1n5i n HIS 53 Ca 0.21 -1.23 0.00 0.00 -0.26 0.00 0.00 57.72 56.43 1n5i n HIS 53 Cb 0.11 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.02 1n5i n HIS 53 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n5i n GLY 54 N -1.27 0.69 4.02 -1.41 0.00 -1.13 -5.04 105.19 101.04 1n5i n GLY 54 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 1n5i n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n5i s GLU 55 N -0.72 2.36 -1.28 1.61 2.02 -0.74 -4.73 118.70 117.22 1n5i s GLU 55 Ca 0.00 -1.39 -0.02 0.00 0.02 0.00 0.00 54.97 53.57 1n5i s GLU 55 Cb 0.00 -2.62 0.01 0.00 0.10 0.00 0.00 34.13 31.62 1n5i s GLU 55 CO 0.00 -0.79 0.95 0.72 0.02 0.00 0.00 175.26 176.16 1n5i n HIS 56 N -2.24 -2.24 0.00 1.61 8.25 -1.26 -4.24 115.22 115.10 1n5i n HIS 56 Ca 0.13 0.92 0.00 0.00 -0.26 0.00 0.00 57.72 58.51 1n5i n HIS 56 Cb 0.61 -4.83 0.00 0.00 1.12 0.00 0.00 29.99 26.89 1n5i n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n5i n GLY 57 N -1.43 2.80 1.17 -1.41 0.00 -1.26 -2.05 105.19 103.01 1n5i n GLY 57 Ca -0.22 0.17 0.04 0.00 0.00 0.00 0.00 46.02 46.01 1n5i n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1n5i n ASP 58 N 3.34 3.34 0.16 1.61 5.68 -1.26 -4.55 116.55 124.86 1n5i n ASP 58 Ca 0.00 -2.41 -0.14 0.00 -0.50 0.00 0.00 54.79 51.75 1n5i n ASP 58 Cb 0.00 -0.53 -0.07 0.00 -1.14 0.00 0.00 41.12 39.38 1n5i n ASP 58 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1n5i h LEU 59 N 2.27 -0.45 -1.67 -2.12 6.46 -1.71 -2.73 115.31 115.36 1n5i h LEU 59 Ca 0.00 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 1n5i h LEU 59 Cb 1.16 0.15 0.00 0.00 -0.73 0.00 0.00 40.66 41.24 1n5i h LEU 59 CO 0.22 -0.27 0.00 0.00 -0.62 0.00 0.00 178.44 177.76 1n5i h ALA 60 N 0.33 1.00 0.00 1.25 0.00 -1.81 -2.32 119.26 117.71 1n5i h ALA 60 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1n5i h ALA 60 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1n5i h ALA 60 CO -0.01 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.90 1n5i h SER 61 N 0.00 0.00 -3.77 0.00 4.64 -1.81 -3.41 113.55 109.19 1n5i h SER 61 Ca 0.00 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.69 1n5i h SER 61 Cb 0.17 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.10 1n5i h SER 61 CO 0.00 0.00 -0.32 -0.55 -0.87 0.00 0.00 176.83 175.09 1n5i s SER 62 N -4.96 6.18 0.12 4.97 0.15 -0.87 -4.97 113.70 114.32 1n5i s SER 62 Ca 0.03 0.20 -0.16 0.00 0.70 0.00 0.00 55.95 56.72 1n5i s SER 62 Cb 0.09 -2.18 -0.03 0.00 -1.71 0.00 0.00 66.02 62.18 1n5i s SER 62 CO 0.48 -0.14 1.60 0.58 1.20 0.00 0.00 173.24 176.96 1n5i h VAL 63 N 5.38 1.23 0.00 4.45 2.07 -1.87 -2.66 116.25 124.85 1n5i h VAL 63 Ca -0.33 -0.81 -0.11 0.00 0.82 0.00 0.00 66.70 66.28 1n5i h VAL 63 Cb 1.17 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 1n5i h VAL 63 CO 0.62 0.27 -0.51 1.88 0.02 0.00 0.00 177.57 179.85 1n5i h TYR 64 N 0.42 0.00 -0.28 1.57 -1.99 -1.96 -2.15 116.97 112.58 1n5i h TYR 64 Ca 0.11 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.79 1n5i h TYR 64 Cb 0.34 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.06 1n5i h TYR 64 CO 0.02 0.51 -0.01 0.00 -0.00 0.00 0.00 178.16 178.68 1n5i h ALA 65 N 1.49 0.38 -0.38 3.88 0.00 -1.85 0.01 119.26 122.78 1n5i h ALA 65 Ca -0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1n5i h ALA 65 Cb 0.99 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1n5i h ALA 65 CO 0.07 0.13 0.12 0.52 0.00 0.00 0.00 179.25 180.08 1n5i h MET 66 N 0.28 0.58 -0.90 0.00 2.86 -1.38 -2.05 114.93 114.33 1n5i h MET 66 Ca 0.08 -0.12 0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1n5i h MET 66 Cb 0.44 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.97 1n5i h MET 66 CO 0.02 0.59 0.60 0.00 1.06 0.00 0.00 176.91 179.18 1n5i h ALA 67 N 0.96 1.36 -0.67 6.32 0.00 -1.30 -2.40 119.26 123.54 1n5i h ALA 67 Ca 0.12 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1n5i h ALA 67 Cb 0.25 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1n5i h ALA 67 CO -0.00 0.59 0.24 1.15 0.00 0.00 0.00 179.25 181.22 1n5i h THR 68 N 1.21 1.25 -0.59 0.00 2.02 -0.63 -1.02 112.91 115.16 1n5i h THR 68 Ca 0.33 -0.81 -0.03 0.00 0.77 0.00 0.00 66.41 66.68 1n5i h THR 68 Cb -0.13 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 66.77 1n5i h THR 68 CO -0.08 0.32 0.26 -0.07 0.37 0.00 0.00 175.52 176.33 1n5i h LEU 69 N 0.96 0.78 -1.06 2.58 3.38 -0.92 0.14 115.31 121.17 1n5i h LEU 69 Ca 0.22 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 1n5i h LEU 69 Cb 0.25 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1n5i h LEU 69 CO -0.01 0.71 -0.31 -0.26 0.09 0.00 0.00 178.44 178.66 1n5i h PHE 70 N 0.80 0.31 -0.23 1.13 0.04 -1.25 -1.77 116.94 115.97 1n5i h PHE 70 Ca 0.20 -0.07 -0.18 0.00 2.80 0.00 0.00 57.97 60.72 1n5i h PHE 70 Cb 0.15 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.22 1n5i h PHE 70 CO 0.00 0.56 -0.57 0.00 -0.60 0.00 0.00 178.31 177.70 1n5i h ALA 71 N 1.44 0.54 -0.08 2.45 0.00 -0.70 -2.50 119.26 120.40 1n5i h ALA 71 Ca 0.03 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 54.33 1n5i h ALA 71 Cb 0.67 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1n5i h ALA 71 CO 0.05 0.69 -0.37 -0.07 0.00 0.00 0.00 179.25 179.55 1n5i h LEU 72 N 0.56 0.17 0.07 0.00 3.38 -0.47 0.11 115.31 119.13 1n5i h LEU 72 Ca 0.01 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1n5i h LEU 72 Cb 1.16 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1n5i h LEU 72 CO 0.12 0.53 -0.04 -0.78 0.09 0.00 0.00 178.44 178.36 1n5i h ASP 73 N 0.14 -0.08 -0.64 -0.43 3.58 -1.23 -2.45 116.42 115.32 1n5i h ASP 73 Ca 0.02 -0.22 -0.02 0.00 0.42 0.00 0.00 57.03 57.22 1n5i h ASP 73 Cb 0.72 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.76 1n5i h ASP 73 CO 0.05 0.18 0.32 0.03 -2.88 0.00 0.00 179.24 176.94 1n5i h ARG 74 N -0.35 0.93 -0.42 0.28 3.08 -1.12 -1.82 114.38 114.96 1n5i h ARG 74 Ca -0.01 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 59.93 1n5i h ARG 74 Cb 0.30 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1n5i h ARG 74 CO 0.02 0.72 0.28 0.00 -1.07 0.00 0.00 179.97 179.91 1n5i h ALA 75 N 1.42 1.74 0.00 0.04 0.00 -0.66 0.69 119.26 122.49 1n5i h ALA 75 Ca 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1n5i h ALA 75 Cb 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1n5i h ALA 75 CO -0.03 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.86 1n5i n GLY 76 N -1.48 -1.13 0.66 0.00 0.00 -0.70 -3.01 105.19 99.52 1n5i n GLY 76 Ca 0.04 -0.13 0.07 0.00 0.00 0.00 0.00 46.02 45.99 1n5i n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n5i n ALA 77 N -1.25 2.36 -0.12 4.61 0.00 0.22 -4.63 120.51 121.70 1n5i n ALA 77 Ca 0.14 -0.86 -0.05 0.00 0.00 0.00 0.00 53.44 52.67 1n5i n ALA 77 Cb 0.20 -0.50 0.03 0.00 0.00 0.00 0.00 19.45 19.18 1n5i n ALA 77 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1n5i h VAL 78 N 2.61 0.78 -0.70 0.00 2.07 -1.42 0.14 116.25 119.73 1n5i h VAL 78 Ca 0.00 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.50 1n5i h VAL 78 Cb 0.67 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 1n5i h VAL 78 CO 0.00 0.03 0.43 0.45 0.02 0.00 0.00 177.57 178.50 1n5i h HIS 79 N 0.18 0.79 -0.02 1.57 3.86 -1.85 -1.08 115.15 118.61 1n5i h HIS 79 Ca 0.19 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 1n5i h HIS 79 Cb 0.24 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 28.45 1n5i h HIS 79 CO -0.21 0.43 0.01 1.15 0.86 0.00 0.00 177.93 180.17 1n5i h THR 80 N 0.82 1.01 -0.33 2.45 2.02 -1.62 -1.00 112.91 116.25 1n5i h THR 80 Ca 0.29 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.44 1n5i h THR 80 Cb 0.07 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 1n5i h THR 80 CO -0.13 0.01 0.22 0.40 0.37 0.00 0.00 175.52 176.39 1n5i h ILE 81 N 0.01 1.07 -0.90 3.11 2.04 -0.61 -0.03 117.51 122.21 1n5i h ILE 81 Ca 0.01 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 1n5i h ILE 81 Cb 0.01 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 1n5i h ILE 81 CO -0.00 0.08 0.53 1.56 0.00 0.00 0.00 178.15 180.32 1n5i h GLN 82 N 0.44 1.22 -0.60 2.37 4.20 -1.09 -1.32 115.11 120.33 1n5i h GLN 82 Ca 0.13 -0.12 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 1n5i h GLN 82 Cb -0.04 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 27.46 1n5i h GLN 82 CO -0.04 0.86 0.17 0.78 -0.67 0.00 0.00 178.83 179.94 1n5i h GLY 83 N 1.24 1.02 1.07 3.46 0.00 -0.67 -2.15 103.07 107.04 1n5i h GLY 83 Ca 0.32 -0.63 -0.09 0.00 0.00 0.00 0.00 47.33 46.94 1n5i h GLY 83 CO -0.06 0.58 0.06 1.41 0.00 0.00 0.00 176.54 178.54 1n5i h LEU 84 N 0.87 1.05 -1.46 3.11 3.38 -0.61 -1.26 115.31 120.39 1n5i h LEU 84 Ca 0.19 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1n5i h LEU 84 Cb 0.32 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1n5i h LEU 84 CO -0.00 1.06 -0.27 0.00 0.09 0.00 0.00 178.44 179.32 1n5i h ARG 86 N 0.00 0.00 0.00 0.00 -0.00 -1.01 -3.36 114.38 110.01 1n5i h ARG 86 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 59.94 1n5i h ARG 86 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.49 1n5i h ARG 86 CO 0.04 0.90 -1.39 0.41 -0.00 0.00 0.00 179.97 179.92 1n5i n GLY 87 N 1.34 -1.28 3.33 0.08 0.00 -0.51 -4.98 105.19 103.17 1n5i n GLY 87 Ca -0.01 -0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.52 1n5i n GLY 87 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n5i s TYR 88 N -3.30 1.72 0.16 1.61 1.51 -0.05 -5.04 117.35 113.95 1n5i s TYR 88 Ca -0.03 -0.53 -0.08 0.00 -1.01 0.00 0.00 57.07 55.42 1n5i s TYR 88 Cb 0.10 -0.83 0.01 0.00 -0.11 0.00 0.00 41.96 41.14 1n5i s TYR 88 CO 0.83 0.32 1.48 -0.44 -1.11 0.00 0.00 175.55 176.63 1n5i h ASP 89 N 2.95 0.87 -3.63 2.29 3.32 -1.76 -3.43 116.42 117.04 1n5i h ASP 89 Ca -0.40 -0.43 -0.44 0.00 0.02 0.00 0.00 57.03 55.79 1n5i h ASP 89 Cb 1.21 -0.25 -0.32 0.00 0.22 0.00 0.00 39.33 40.19 1n5i h ASP 89 CO 0.56 1.19 -0.79 -0.69 -1.72 0.00 0.00 179.24 177.80 1n5i s VAL 90 N -4.24 0.76 -0.16 -1.35 1.01 -0.55 -2.26 120.40 113.61 1n5i s VAL 90 Ca -0.10 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.59 1n5i s VAL 90 Cb 0.11 -0.71 0.02 0.00 0.00 0.00 0.00 36.38 35.80 1n5i s VAL 90 CO 0.87 0.26 -0.20 -0.69 0.00 0.00 0.00 175.10 175.33 1n5i s VAL 91 N 0.49 2.09 -0.18 2.92 1.01 -0.49 -1.51 120.40 124.72 1n5i s VAL 91 Ca -0.08 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 60.93 1n5i s VAL 91 Cb -0.12 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 1n5i s VAL 91 CO 0.01 0.54 -0.06 -0.63 0.00 0.00 0.00 175.10 174.96 1n5i s ILE 92 N 1.10 3.44 -0.15 2.22 1.01 0.10 -1.12 121.20 127.80 1n5i s ILE 92 Ca 0.00 -0.50 -0.05 0.00 0.00 0.00 0.00 60.65 60.10 1n5i s ILE 92 Cb -0.14 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 1n5i s ILE 92 CO -0.08 0.47 0.03 -0.76 0.00 0.00 0.00 174.94 174.59 1n5i s LEU 93 N 0.88 3.68 -0.73 2.97 1.43 0.52 -1.31 118.68 126.12 1n5i s LEU 93 Ca -0.01 0.07 -0.18 0.00 -1.03 0.00 0.00 54.13 52.98 1n5i s LEU 93 Cb -0.15 -1.90 0.13 0.00 0.03 0.00 0.00 46.19 44.30 1n5i s LEU 93 CO 0.01 0.23 0.84 -0.62 0.23 0.00 0.00 176.35 177.03 1n5i s ASP 94 N 0.03 6.41 0.00 2.29 -1.08 -0.19 -0.36 116.67 123.78 1n5i s ASP 94 Ca 0.04 -1.83 0.00 0.00 -0.52 0.00 0.00 52.55 50.24 1n5i s ASP 94 Cb -0.13 -2.31 0.00 0.00 -1.46 0.00 0.00 42.92 39.02 1n5i s ASP 94 CO 0.01 -1.01 0.00 0.54 0.52 0.00 0.00 175.17 175.24 1n5i n ARG 95 N 5.97 0.00 0.00 4.34 1.74 -0.31 -1.77 116.66 126.63 1n5i n ARG 95 Ca 0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1n5i n ARG 95 Cb 0.45 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.89 1n5i n ARG 95 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1n5i n TYR 96 N -0.33 0.00 -0.28 -1.55 9.36 -1.26 -4.23 117.16 118.87 1n5i n TYR 96 Ca 0.00 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.34 1n5i n TYR 96 Cb 0.00 0.00 0.38 0.00 -0.63 0.00 0.00 39.34 39.09 1n5i n TYR 96 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1n5i h VAL 97 N 0.00 0.81 0.00 2.97 2.07 -1.99 -1.69 116.25 118.42 1n5i h VAL 97 Ca 0.00 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1n5i h VAL 97 Cb 0.00 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 29.83 1n5i h VAL 97 CO 0.00 0.13 -0.04 0.00 0.02 0.00 0.00 177.57 177.67 1n5i h ALA 98 N 1.60 1.78 -0.79 1.67 0.00 -1.96 -1.79 119.26 119.77 1n5i h ALA 98 Ca 0.47 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.40 1n5i h ALA 98 Cb 0.77 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 1n5i h ALA 98 CO -0.22 0.05 0.48 0.77 0.00 0.00 0.00 179.25 180.33 1n5i h SER 99 N 0.00 0.74 -0.57 0.00 0.02 -1.70 0.32 113.55 112.36 1n5i h SER 99 Ca -0.00 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.90 1n5i h SER 99 Cb 0.08 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 1n5i h SER 99 CO 0.01 0.47 0.08 -1.13 -1.14 0.00 0.00 176.83 175.12 1n5i h ASN 100 N 0.87 0.91 -0.26 3.07 -1.24 -1.46 -1.71 115.58 115.76 1n5i h ASN 100 Ca 0.35 -0.27 -0.02 0.00 0.71 0.00 0.00 56.30 57.07 1n5i h ASN 100 Cb 0.18 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 38.97 1n5i h ASN 100 CO -0.18 0.95 0.08 0.00 -1.29 0.00 0.00 177.43 176.99 1n5i h ALA 101 N 1.00 0.34 0.24 1.57 0.00 -1.23 -0.66 119.26 120.52 1n5i h ALA 101 Ca 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1n5i h ALA 101 Cb 0.44 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1n5i h ALA 101 CO 0.01 -0.02 -0.12 0.00 0.00 0.00 0.00 179.25 179.13 1n5i h ALA 102 N 0.90 -0.33 -0.34 0.00 0.00 -0.86 -1.35 119.26 117.28 1n5i h ALA 102 Ca 0.08 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1n5i h ALA 102 Cb 0.26 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1n5i h ALA 102 CO -0.00 -0.63 -0.34 1.88 0.00 0.00 0.00 179.25 180.16 1n5i h TYR 103 N -0.43 0.90 -0.19 0.00 -1.99 -1.36 -1.94 116.97 111.96 1n5i h TYR 103 Ca -0.03 -0.25 -0.02 0.00 2.00 0.00 0.00 58.73 60.42 1n5i h TYR 103 Cb 0.33 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 38.85 1n5i h TYR 103 CO -0.03 1.00 0.03 0.77 -0.00 0.00 0.00 178.16 179.93 1n5i h SER 104 N 0.64 0.31 -0.49 3.88 0.02 -1.11 -0.76 113.55 116.04 1n5i h SER 104 Ca 0.06 -0.27 -0.02 0.00 -0.84 0.00 0.00 61.79 60.73 1n5i h SER 104 Cb 0.88 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 1n5i h SER 104 CO 0.08 0.50 0.24 0.00 -1.14 0.00 0.00 176.83 176.51 1n5i h ALA 105 N 0.82 0.63 -0.61 3.77 0.00 -1.26 -2.68 119.26 119.94 1n5i h ALA 105 Ca 0.06 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1n5i h ALA 105 Cb 0.32 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1n5i h ALA 105 CO 0.00 0.19 0.40 0.00 0.00 0.00 0.00 179.25 179.84 1n5i h ALA 106 N 1.08 0.78 -0.03 0.00 0.00 -1.22 0.11 119.26 119.98 1n5i h ALA 106 Ca 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1n5i h ALA 106 Cb 0.11 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1n5i h ALA 106 CO -0.02 0.19 -0.09 0.00 0.00 0.00 0.00 179.25 179.33 1n5i h ARG 107 N 0.81 0.05 -0.39 0.00 3.08 -0.95 -1.93 114.38 115.05 1n5i h ARG 107 Ca 0.23 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1n5i h ARG 107 Cb -0.08 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1n5i h ARG 107 CO -0.06 0.14 0.00 1.28 -1.07 0.00 0.00 179.97 180.26 1n5i n LEU 108 N -4.41 2.92 -3.51 3.04 4.77 -0.75 -4.94 117.00 114.11 1n5i n LEU 108 Ca -0.02 -1.31 -0.25 0.00 -0.03 0.00 0.00 56.01 54.39 1n5i n LEU 108 Cb 0.18 -0.26 0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1n5i n LEU 108 CO 0.36 0.66 0.11 1.41 -1.33 0.00 0.00 177.39 178.59 1n5i n HIS 109 N 1.12 -2.35 -3.90 -1.77 8.25 -0.44 -5.00 115.22 111.14 1n5i n HIS 109 Ca 0.19 0.79 -0.22 0.00 -0.26 0.00 0.00 57.72 58.22 1n5i n HIS 109 Cb 0.50 -4.34 -0.05 0.00 1.12 0.00 0.00 29.99 27.23 1n5i n HIS 109 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1n5i s GLU 110 N -6.21 2.54 0.43 -0.41 2.02 0.25 -5.02 118.70 112.29 1n5i s GLU 110 Ca 0.52 -1.46 0.06 0.00 0.02 0.00 0.00 54.97 54.11 1n5i s GLU 110 Cb -0.24 -2.32 0.06 0.00 0.10 0.00 0.00 34.13 31.72 1n5i s GLU 110 CO 0.64 0.04 0.48 0.27 0.02 0.00 0.00 175.26 176.71 1n5i n ASN 111 N -1.31 1.88 0.31 -0.19 0.23 -1.26 -4.27 115.26 110.65 1n5i n ASN 111 Ca -0.01 -2.26 0.21 0.00 -0.53 0.00 0.00 54.58 51.98 1n5i n ASN 111 Cb 0.61 -0.20 1.03 0.00 -2.08 0.00 0.00 39.78 39.14 1n5i n ASN 111 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1n5i h ALA 112 N 0.41 1.00 -0.38 -2.53 0.00 -1.93 -0.92 119.26 114.90 1n5i h ALA 112 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1n5i h ALA 112 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1n5i h ALA 112 CO 0.34 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.59 1n5i n ALA 113 N -2.07 2.45 -1.76 0.00 0.00 -1.26 -4.75 120.51 113.12 1n5i n ALA 113 Ca -0.02 -0.77 -0.17 0.00 0.00 0.00 0.00 53.44 52.48 1n5i n ALA 113 Cb 0.14 -0.98 0.16 0.00 0.00 0.00 0.00 19.45 18.77 1n5i n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n5i n GLY 114 N 1.26 -1.37 0.11 0.00 0.00 -0.35 -4.94 105.19 99.91 1n5i n GLY 114 Ca 0.17 -1.71 -0.11 0.00 0.00 0.00 0.00 46.02 44.37 1n5i n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n5i h LYS 115 N 0.00 0.28 -0.31 1.61 1.79 -1.93 -2.91 116.57 115.10 1n5i h LYS 115 Ca -0.34 -0.04 0.02 0.00 -2.18 0.00 0.00 60.65 58.11 1n5i h LYS 115 Cb 0.94 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.52 1n5i h LYS 115 CO 0.24 0.29 0.16 0.00 -1.08 0.00 0.00 179.45 179.07 1n5i h ALA 116 N 0.97 0.38 -0.64 3.86 0.00 -1.93 0.02 119.26 121.91 1n5i h ALA 116 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1n5i h ALA 116 Cb 0.11 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1n5i h ALA 116 CO -0.01 -0.21 0.40 0.00 0.00 0.00 0.00 179.25 179.43 1n5i h ALA 117 N 1.15 0.83 -0.61 0.00 0.00 -1.81 -0.83 119.26 117.98 1n5i h ALA 117 Ca 0.12 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1n5i h ALA 117 Cb 0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1n5i h ALA 117 CO -0.07 0.17 0.06 0.00 0.00 0.00 0.00 179.25 179.41 1n5i h ALA 118 N 1.26 0.96 -0.58 0.00 0.00 -1.28 -1.94 119.26 117.69 1n5i h ALA 118 Ca 0.25 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1n5i h ALA 118 Cb -0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1n5i h ALA 118 CO -0.09 0.64 0.32 2.35 0.00 0.00 0.00 179.25 182.47 1n5i h TRP 119 N 0.95 0.79 -0.80 0.00 7.01 -0.40 -0.76 115.95 122.74 1n5i h TRP 119 Ca 0.18 -0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.15 1n5i h TRP 119 Cb 0.46 -0.25 -0.04 0.00 -2.10 0.00 0.00 29.16 27.23 1n5i h TRP 119 CO 0.03 0.57 0.43 0.28 -2.79 0.00 0.00 178.44 176.97 1n5i h VAL 120 N 0.78 1.24 0.10 2.65 2.07 -0.93 -0.28 116.25 121.87 1n5i h VAL 120 Ca 0.20 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1n5i h VAL 120 Cb 0.04 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1n5i h VAL 120 CO -0.03 0.27 -0.09 1.56 0.02 0.00 0.00 177.57 179.29 1n5i h GLN 121 N 1.11 -0.20 -0.66 1.57 1.08 -0.74 -0.37 115.11 116.90 1n5i h GLN 121 Ca 0.28 0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.47 1n5i h GLN 121 Cb 0.04 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.48 1n5i h GLN 121 CO -0.04 -0.13 0.30 0.00 -0.95 0.00 0.00 178.83 178.01 1n5i h ARG 122 N -0.20 0.96 0.13 1.46 3.08 -0.84 -2.68 114.38 116.27 1n5i h ARG 122 Ca 0.00 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 1n5i h ARG 122 Cb 0.20 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1n5i h ARG 122 CO -0.02 0.77 -0.06 0.82 -1.07 0.00 0.00 179.97 180.41 1n5i h ILE 123 N 0.92 0.82 0.05 2.04 1.08 -0.97 -0.15 117.51 121.30 1n5i h ILE 123 Ca 0.22 -1.27 -0.00 0.00 -0.39 0.00 0.00 64.86 63.43 1n5i h ILE 123 Cb 0.14 1.43 0.00 0.00 -3.07 0.00 0.00 36.82 35.32 1n5i h ILE 123 CO -0.03 0.23 -0.03 -0.33 -0.69 0.00 0.00 178.15 177.31 1n5i h GLU 124 N -0.92 -0.07 0.00 2.37 5.08 -1.17 0.23 114.58 120.10 1n5i h GLU 124 Ca -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1n5i h GLU 124 Cb 0.51 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1n5i h GLU 124 CO 0.03 0.54 -0.03 0.74 -1.00 0.00 0.00 179.01 179.29 1n5i h PHE 125 N -0.82 0.03 0.10 4.33 0.04 -1.61 -1.37 116.94 117.65 1n5i h PHE 125 Ca -0.01 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 1n5i h PHE 125 Cb 0.64 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.79 1n5i h PHE 125 CO 0.15 0.86 -0.05 0.00 -0.60 0.00 0.00 178.31 178.67 1n5i h ALA 126 N 0.16 -0.15 0.03 2.45 0.00 -1.55 -3.10 119.26 117.10 1n5i h ALA 126 Ca -0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1n5i h ALA 126 Cb 0.87 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1n5i h ALA 126 CO 0.01 -0.14 -0.01 -0.09 0.00 0.00 0.00 179.25 179.01 1n5i h ARG 127 N -0.90 -0.04 0.00 0.00 2.43 -0.94 -3.27 114.38 111.67 1n5i h ARG 127 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1n5i h ARG 127 Cb 0.11 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1n5i h ARG 127 CO 0.02 0.37 -0.13 1.28 -1.51 0.00 0.00 179.97 180.00 1n5i n LEU 128 N -4.91 0.21 -0.43 3.80 4.77 0.79 -4.96 117.00 116.28 1n5i n LEU 128 Ca -0.08 0.39 -0.05 0.00 -0.03 0.00 0.00 56.01 56.23 1n5i n LEU 128 Cb 0.22 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 40.88 1n5i n LEU 128 CO 0.33 0.01 -0.05 0.61 -1.33 0.00 0.00 177.39 176.95 1n5i n GLY 129 N 1.48 0.77 3.73 -0.72 0.00 -1.11 -4.94 105.19 104.40 1n5i n GLY 129 Ca 0.06 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 1n5i n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n5i s LEU 130 N -1.26 4.40 0.40 0.99 2.01 -0.53 -4.97 118.68 119.73 1n5i s LEU 130 Ca 0.00 2.42 -0.25 0.00 0.01 0.00 0.00 54.13 56.31 1n5i s LEU 130 Cb 0.00 -3.61 -0.08 0.00 0.01 0.00 0.00 46.19 42.51 1n5i s LEU 130 CO 0.00 -0.59 1.19 -2.16 1.01 0.00 0.00 176.35 175.80 1n5i s PRO 131 N 0.17 4.04 0.17 1.29 0.04 -1.26 -4.46 135.00 135.00 1n5i s PRO 131 Ca 0.59 1.88 -0.30 0.00 0.04 0.00 0.00 61.00 63.21 1n5i s PRO 131 Cb -0.37 -2.68 -0.07 0.00 0.04 0.00 0.00 34.50 31.41 1n5i s PRO 131 CO 0.37 -0.35 1.02 0.15 0.04 0.00 0.00 177.00 178.23 1n5i s LYS 132 N -2.29 4.69 0.56 4.56 1.02 -1.26 -5.01 119.74 122.00 1n5i s LYS 132 Ca 0.57 1.59 -0.19 0.00 0.02 0.00 0.00 55.97 57.96 1n5i s LYS 132 Cb -0.32 -3.31 -0.05 0.00 -0.52 0.00 0.00 37.83 33.64 1n5i s LYS 132 CO 0.40 0.22 1.11 -1.25 -0.92 0.00 0.00 175.35 174.91 1n5i s PRO 133 N -0.48 3.31 0.20 -1.68 0.04 -1.26 -4.94 135.00 130.19 1n5i s PRO 133 Ca 0.46 1.53 -0.03 0.00 0.04 0.00 0.00 61.00 63.00 1n5i s PRO 133 Cb -0.27 -2.01 0.13 0.00 0.04 0.00 0.00 34.50 32.40 1n5i s PRO 133 CO 0.33 -0.87 1.53 -0.44 0.04 0.00 0.00 177.00 177.60 1n5i h ASP 134 N 1.02 0.66 -4.61 6.66 3.32 -0.97 -3.43 116.42 119.07 1n5i h ASP 134 Ca -0.49 -0.32 -0.22 0.00 0.02 0.00 0.00 57.03 56.02 1n5i h ASP 134 Cb 1.25 -0.19 -0.23 0.00 0.22 0.00 0.00 39.33 40.39 1n5i h ASP 134 CO 0.57 1.03 -0.72 0.26 -1.72 0.00 0.00 179.24 178.66 1n5i s TRP 135 N -4.14 0.33 -0.18 4.55 0.52 -1.04 -4.16 118.94 114.81 1n5i s TRP 135 Ca -0.08 -0.39 -0.01 0.00 0.02 0.00 0.00 56.10 55.64 1n5i s TRP 135 Cb 0.12 -0.21 0.05 0.00 -1.15 0.00 0.00 33.47 32.27 1n5i s TRP 135 CO 0.84 -0.12 -0.02 -0.65 0.02 0.00 0.00 176.95 177.03 1n5i s GLN 136 N -1.11 1.10 -0.37 4.98 -0.21 -0.71 -1.25 119.66 122.10 1n5i s GLN 136 Ca -0.10 -0.49 -0.13 0.00 0.02 0.00 0.00 55.36 54.66 1n5i s GLN 136 Cb -0.07 -2.03 0.00 0.00 1.00 0.00 0.00 33.01 31.91 1n5i s GLN 136 CO -0.00 -0.52 0.25 0.08 -2.12 0.00 0.00 175.29 172.98 1n5i s VAL 137 N 1.71 5.11 -0.33 1.09 1.01 0.27 -1.65 120.40 127.61 1n5i s VAL 137 Ca -0.00 -0.49 -0.23 0.00 0.00 0.00 0.00 61.98 61.25 1n5i s VAL 137 Cb -0.16 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1n5i s VAL 137 CO -0.07 -0.15 0.77 -0.22 0.00 0.00 0.00 175.10 175.42 1n5i s LEU 138 N 1.67 4.12 -0.76 3.92 2.96 0.30 -0.69 118.68 130.21 1n5i s LEU 138 Ca 0.05 0.48 -0.19 0.00 -0.22 0.00 0.00 54.13 54.25 1n5i s LEU 138 Cb -0.18 -3.02 0.12 0.00 0.50 0.00 0.00 46.19 43.61 1n5i s LEU 138 CO 0.09 -0.66 0.93 -0.22 -1.32 0.00 0.00 176.35 175.18 1n5i s LEU 139 N 2.98 5.13 0.18 -0.68 2.96 -0.40 -1.01 118.68 127.83 1n5i s LEU 139 Ca 0.31 -1.66 -0.30 0.00 -0.22 0.00 0.00 54.13 52.26 1n5i s LEU 139 Cb -0.14 -2.36 -0.08 0.00 0.50 0.00 0.00 46.19 44.12 1n5i s LEU 139 CO 0.15 -1.13 0.93 0.00 -1.32 0.00 0.00 176.35 174.98 1n5i s ALA 140 N 2.81 3.31 0.08 5.97 0.00 -0.37 -4.61 121.76 128.95 1n5i s ALA 140 Ca 0.23 0.58 -0.13 0.00 0.00 0.00 0.00 51.96 52.63 1n5i s ALA 140 Cb -0.14 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 19.78 1n5i s ALA 140 CO 0.00 0.12 0.29 0.14 0.00 0.00 0.00 175.76 176.31 1n5i s VAL 141 N -0.67 0.10 0.42 0.00 -7.23 -1.26 -4.46 120.40 107.30 1n5i s VAL 141 Ca 0.43 -0.80 -0.25 0.00 -1.81 0.00 0.00 61.98 59.55 1n5i s VAL 141 Cb -0.25 -1.12 -0.08 0.00 0.56 0.00 0.00 36.38 35.49 1n5i s VAL 141 CO 0.30 -0.44 1.23 -0.94 -0.31 0.00 0.00 175.10 174.95 1n5i s SER 142 N -2.50 6.32 0.36 4.85 1.04 -1.26 -4.89 113.70 117.63 1n5i s SER 142 Ca 0.00 2.49 0.05 0.00 0.48 0.00 0.00 55.95 58.97 1n5i s SER 142 Cb 0.02 -2.62 0.71 0.00 0.10 0.00 0.00 66.02 64.23 1n5i s SER 142 CO -0.08 -0.83 1.97 0.00 0.98 0.00 0.00 173.24 175.28 1n5i h ALA 143 N 2.52 1.67 0.11 5.32 0.00 -1.96 -1.83 119.26 125.09 1n5i h ALA 143 Ca -0.49 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1n5i h ALA 143 Cb 1.24 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1n5i h ALA 143 CO 0.62 0.23 -0.05 1.05 0.00 0.00 0.00 179.25 181.10 1n5i h GLU 144 N 0.78 -0.14 -0.54 0.00 -0.00 -1.98 -1.11 114.58 111.58 1n5i h GLU 144 Ca 0.30 0.01 -0.02 0.00 -0.00 0.00 0.00 59.36 59.65 1n5i h GLU 144 Cb 0.19 0.03 -0.02 0.00 -0.00 0.00 0.00 28.75 28.95 1n5i h GLU 144 CO -0.09 0.02 0.24 1.37 -0.00 0.00 0.00 179.01 180.55 1n5i h LEU 145 N -0.28 0.72 -0.62 3.06 -0.00 -1.87 -0.87 115.31 115.44 1n5i h LEU 145 Ca -0.02 -0.15 0.00 0.00 -0.00 0.00 0.00 57.88 57.72 1n5i h LEU 145 Cb 0.23 -0.19 -0.03 0.00 -0.00 0.00 0.00 40.66 40.68 1n5i h LEU 145 CO 0.03 0.67 0.40 0.00 -0.00 0.00 0.00 178.44 179.53 1n5i h ALA 146 N 1.08 0.79 -0.65 0.17 0.00 -1.29 -2.01 119.26 117.36 1n5i h ALA 146 Ca 0.18 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1n5i h ALA 146 Cb 0.15 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1n5i h ALA 146 CO -0.02 0.24 0.30 0.78 0.00 0.00 0.00 179.25 180.56 1n5i h GLY 147 N 0.85 1.01 1.68 0.00 0.00 -0.91 -1.77 103.07 103.93 1n5i h GLY 147 Ca 0.23 -0.51 0.01 0.00 0.00 0.00 0.00 47.33 47.05 1n5i h GLY 147 CO -0.05 0.48 0.20 1.05 0.00 0.00 0.00 176.54 178.23 1n5i h GLU 148 N 0.90 0.37 -0.08 4.80 -0.00 -0.70 -0.78 114.58 119.09 1n5i h GLU 148 Ca 0.22 -0.02 -0.20 0.00 -0.00 0.00 0.00 59.36 59.36 1n5i h GLU 148 Cb 0.13 -0.08 0.01 0.00 -0.00 0.00 0.00 28.75 28.81 1n5i h GLU 148 CO -0.03 0.25 -0.72 -0.09 -0.00 0.00 0.00 179.01 178.42 1n5i h ARG 149 N 0.38 0.63 -0.79 1.06 2.43 -0.83 -1.25 114.38 116.01 1n5i h ARG 149 Ca 0.11 -0.57 -0.04 0.00 -0.81 0.00 0.00 59.98 58.67 1n5i h ARG 149 Cb -0.01 0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 1n5i h ARG 149 CO -0.02 1.18 0.33 0.77 -1.51 0.00 0.00 179.97 180.72 1n5i h SER 150 N 0.28 1.08 -0.14 -3.80 0.02 -0.74 -0.99 113.55 109.26 1n5i h SER 150 Ca -0.07 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 60.69 1n5i h SER 150 Cb 1.37 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 63.63 1n5i h SER 150 CO 0.15 0.94 -0.05 0.03 -1.14 0.00 0.00 176.83 176.76 1n5i h ARG 151 N 1.14 0.28 -0.79 3.45 3.08 -1.17 -2.85 114.38 117.51 1n5i h ARG 151 Ca 0.27 -0.11 0.05 0.00 0.07 0.00 0.00 59.98 60.26 1n5i h ARG 151 Cb 0.19 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.18 1n5i h ARG 151 CO -0.02 0.59 0.52 0.78 -1.07 0.00 0.00 179.97 180.76 1n5i h GLY 152 N -0.05 1.11 1.22 0.04 0.00 -1.01 -1.27 103.07 103.10 1n5i h GLY 152 Ca 0.03 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 1n5i h GLY 152 CO 0.02 0.28 0.17 -0.09 0.00 0.00 0.00 176.54 176.91 1n5i h ARG 153 N 0.90 0.98 -0.04 4.80 2.43 -1.11 -2.51 114.38 119.83 1n5i h ARG 153 Ca 0.33 -0.21 -0.12 0.00 -0.81 0.00 0.00 59.98 59.17 1n5i h ARG 153 Cb 0.17 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1n5i h ARG 153 CO -0.11 0.86 -0.53 0.00 -1.51 0.00 0.00 179.97 178.68 1n5i h ALA 154 N 1.24 1.03 0.00 2.80 0.00 -1.03 -1.35 119.26 121.95 1n5i h ALA 154 Ca 0.20 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1n5i h ALA 154 Cb 0.32 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1n5i h ALA 154 CO -0.00 0.67 -0.16 1.96 0.00 0.00 0.00 179.25 181.72 1n5i h GLN 155 N 0.09 0.00 0.00 0.00 1.08 -0.91 -3.27 115.11 112.10 1n5i h GLN 155 Ca -0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1n5i h GLN 155 Cb 0.97 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.40 1n5i h GLN 155 CO 0.08 0.16 -1.90 2.89 -0.95 0.00 0.00 178.83 179.11 1n5i n ARG 156 N -3.28 0.60 -3.92 1.46 1.85 -1.01 -4.89 116.66 107.47 1n5i n ARG 156 Ca 0.01 -0.17 -0.30 0.00 -1.00 0.00 0.00 57.85 56.38 1n5i n ARG 156 Cb 0.42 -1.46 -0.16 0.00 -1.05 0.00 0.00 32.46 30.21 1n5i n ARG 156 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1n5i s ASP 157 N -4.27 3.78 0.54 2.89 -1.08 -0.53 -5.00 116.67 113.00 1n5i s ASP 157 Ca -0.07 -1.17 0.20 0.00 -0.52 0.00 0.00 52.55 51.00 1n5i s ASP 157 Cb 0.12 -1.12 1.43 0.00 -1.46 0.00 0.00 42.92 41.90 1n5i s ASP 157 CO 0.81 -0.25 2.18 1.55 0.52 0.00 0.00 175.17 179.98 1n5i h PRO 158 N 7.98 0.00 -0.91 4.34 0.13 -1.88 -0.47 132.00 141.19 1n5i h PRO 158 Ca -0.17 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.75 1n5i h PRO 158 Cb 1.07 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.08 1n5i h PRO 158 CO 0.41 0.01 0.26 0.41 -0.23 0.00 0.00 178.00 178.86 1n5i n GLY 159 N -1.44 3.12 2.81 1.56 0.00 -1.26 -4.13 105.19 105.85 1n5i n GLY 159 Ca -0.03 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1n5i n GLY 159 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1n5i n ARG 160 N -0.19 1.70 -1.88 1.61 1.85 -0.19 -5.10 116.66 114.46 1n5i n ARG 160 Ca 0.29 -3.48 -0.38 0.00 -1.00 0.00 0.00 57.85 53.28 1n5i n ARG 160 Cb 1.07 -1.58 0.03 0.00 -1.05 0.00 0.00 32.46 30.93 1n5i n ARG 160 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1n5i s ALA 161 N -3.73 2.91 0.66 2.89 0.00 -1.26 -4.02 121.76 119.21 1n5i s ALA 161 Ca 0.27 1.27 -0.17 0.00 0.00 0.00 0.00 51.96 53.33 1n5i s ALA 161 Cb 0.32 -3.53 -0.00 0.00 0.00 0.00 0.00 23.12 19.91 1n5i s ALA 161 CO -0.04 -1.20 1.27 1.03 0.00 0.00 0.00 175.76 176.82 1n5i s ARG 162 N -2.80 2.47 0.59 0.00 0.52 -1.26 -5.02 118.95 113.44 1n5i s ARG 162 Ca 0.68 1.99 -0.00 0.00 -0.52 0.00 0.00 55.73 57.88 1n5i s ARG 162 Cb -0.38 -1.84 0.04 0.00 0.52 0.00 0.00 34.95 33.28 1n5i s ARG 162 CO 0.46 -1.64 0.83 0.16 0.02 0.00 0.00 175.30 175.13 1n5i s ASP 163 N -1.54 5.15 0.30 0.23 1.47 -1.26 -4.91 116.67 116.11 1n5i s ASP 163 Ca 0.81 0.05 0.06 0.00 1.18 0.00 0.00 52.55 54.65 1n5i s ASP 163 Cb -0.35 -0.87 0.78 0.00 -0.34 0.00 0.00 42.92 42.14 1n5i s ASP 163 CO 0.41 -1.26 1.71 0.78 0.68 0.00 0.00 175.17 177.49 1n5i h ASN 164 N -0.08 0.46 -0.48 2.11 -0.26 -1.03 -1.17 115.58 115.13 1n5i h ASN 164 Ca -0.42 0.15 -0.09 0.00 -0.56 0.00 0.00 56.30 55.37 1n5i h ASN 164 Cb 1.30 0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 38.64 1n5i h ASN 164 CO 0.53 0.04 -0.05 1.88 -1.06 0.00 0.00 177.43 178.77 1n5i h TYR 165 N 0.47 0.98 0.00 1.19 0.05 -1.94 -2.83 116.97 114.89 1n5i h TYR 165 Ca 0.59 -0.19 -0.01 0.00 0.05 0.00 0.00 58.73 59.17 1n5i h TYR 165 Cb 1.12 -0.25 -0.00 0.00 1.01 0.00 0.00 36.73 38.61 1n5i h TYR 165 CO -0.09 0.94 -0.06 0.93 -1.05 0.00 0.00 178.16 178.83 1n5i h GLU 166 N 0.73 0.00 -0.01 4.88 5.08 -1.60 -1.27 114.58 122.40 1n5i h GLU 166 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1n5i h GLU 166 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1n5i h GLU 166 CO 0.03 0.06 -0.04 0.54 -1.00 0.00 0.00 179.01 178.60 1n5i n ARG 167 N -3.30 1.26 -3.68 2.33 1.74 -0.90 -4.54 116.66 109.57 1n5i n ARG 167 Ca -0.01 -0.56 -0.38 0.00 -0.77 0.00 0.00 57.85 56.13 1n5i n ARG 167 Cb 0.23 -1.49 -0.09 0.00 -1.02 0.00 0.00 32.46 30.09 1n5i n ARG 167 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1n5i s ASP 168 N -2.12 5.41 0.23 0.55 -1.08 -0.48 -4.96 116.67 114.22 1n5i s ASP 168 Ca 0.38 -2.66 -0.07 0.00 -0.52 0.00 0.00 52.55 49.67 1n5i s ASP 168 Cb 0.21 -1.89 0.26 0.00 -1.46 0.00 0.00 42.92 40.04 1n5i s ASP 168 CO 0.38 -0.43 1.86 0.00 0.52 0.00 0.00 175.17 177.50 1n5i h ALA 169 N 7.34 1.09 -0.55 3.66 0.00 -1.81 -2.03 119.26 126.97 1n5i h ALA 169 Ca -0.03 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1n5i h ALA 169 Cb 0.98 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1n5i h ALA 169 CO 0.73 0.32 -0.02 1.49 0.00 0.00 0.00 179.25 181.76 1n5i h GLU 170 N 0.99 0.95 -0.68 0.00 4.81 -1.94 -1.71 114.58 117.00 1n5i h GLU 170 Ca 0.34 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1n5i h GLU 170 Cb 0.05 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1n5i h GLU 170 CO -0.13 0.95 0.39 1.25 -0.73 0.00 0.00 179.01 180.74 1n5i h LEU 171 N 0.87 0.83 -0.87 1.64 5.85 -1.77 -0.37 115.31 121.48 1n5i h LEU 171 Ca 0.16 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1n5i h LEU 171 Cb 0.54 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1n5i h LEU 171 CO 0.03 0.66 0.49 1.56 -0.34 0.00 0.00 178.44 180.84 1n5i h GLN 172 N 0.92 1.20 0.05 1.25 1.08 -1.08 0.37 115.11 118.89 1n5i h GLN 172 Ca 0.24 -0.13 -0.00 0.00 -1.45 0.00 0.00 58.65 57.31 1n5i h GLN 172 Cb 0.00 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 27.19 1n5i h GLN 172 CO -0.04 0.86 -0.02 1.96 -0.95 0.00 0.00 178.83 180.64 1n5i h GLN 173 N 1.20 -0.06 -0.36 1.46 4.20 -0.62 -1.82 115.11 119.11 1n5i h GLN 173 Ca 0.31 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.99 1n5i h GLN 173 Cb 0.00 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1n5i h GLN 173 CO -0.05 0.01 0.09 0.00 -0.67 0.00 0.00 178.83 178.21 1n5i h ARG 174 N -0.11 0.53 -0.52 1.46 3.08 -0.74 -2.27 114.38 115.81 1n5i h ARG 174 Ca -0.01 -0.08 -0.08 0.00 0.07 0.00 0.00 59.98 59.88 1n5i h ARG 174 Cb 0.09 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1n5i h ARG 174 CO 0.01 0.49 0.01 1.15 -1.07 0.00 0.00 179.97 180.55 1n5i h THR 175 N 0.52 1.26 -0.91 2.04 2.02 -0.67 -0.56 112.91 116.62 1n5i h THR 175 Ca 0.12 -1.08 -0.01 0.00 0.77 0.00 0.00 66.41 66.21 1n5i h THR 175 Cb 0.19 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 67.49 1n5i h THR 175 CO -0.00 0.38 0.54 1.23 0.37 0.00 0.00 175.52 178.04 1n5i h GLY 176 N 0.78 1.32 1.19 2.16 0.00 -0.86 -0.80 103.07 106.86 1n5i h GLY 176 Ca 0.15 -0.56 -0.12 0.00 0.00 0.00 0.00 47.33 46.80 1n5i h GLY 176 CO 0.03 0.54 -0.20 0.00 0.00 0.00 0.00 176.54 176.90 1n5i h ALA 177 N 1.34 0.77 -0.50 3.60 0.00 -1.01 -2.32 119.26 121.14 1n5i h ALA 177 Ca 0.32 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1n5i h ALA 177 Cb -0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1n5i h ALA 177 CO -0.06 0.66 -0.08 0.28 0.00 0.00 0.00 179.25 180.05 1n5i h VAL 178 N 0.81 1.26 -0.61 0.00 2.07 -0.68 -2.51 116.25 116.58 1n5i h VAL 178 Ca 0.11 -1.19 0.04 0.00 0.82 0.00 0.00 66.70 66.48 1n5i h VAL 178 Cb 0.75 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 1n5i h VAL 178 CO 0.06 0.42 0.36 1.88 0.02 0.00 0.00 177.57 180.31 1n5i h TYR 179 N 0.82 0.67 -0.63 1.57 0.05 -0.90 0.82 116.97 119.36 1n5i h TYR 179 Ca 0.14 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.93 1n5i h TYR 179 Cb 0.60 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 38.10 1n5i h TYR 179 CO 0.04 0.37 0.34 0.00 -1.05 0.00 0.00 178.16 177.85 1n5i h ALA 180 N 1.28 1.41 -0.25 3.88 0.00 -1.17 -0.78 119.26 123.63 1n5i h ALA 180 Ca 0.25 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1n5i h ALA 180 Cb 0.07 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1n5i h ALA 180 CO -0.12 0.49 -0.28 0.93 0.00 0.00 0.00 179.25 180.26 1n5i h GLU 181 N 0.88 0.64 -0.59 0.00 5.08 -0.89 -2.07 114.58 117.62 1n5i h GLU 181 Ca 0.22 -0.35 0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1n5i h GLU 181 Cb 0.03 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 1n5i h GLU 181 CO -0.04 0.95 0.36 -0.07 -1.00 0.00 0.00 179.01 179.21 1n5i h LEU 182 N 0.35 0.58 -0.26 1.33 3.38 -0.40 -0.62 115.31 119.68 1n5i h LEU 182 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1n5i h LEU 182 Cb 0.85 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1n5i h LEU 182 CO 0.07 0.40 0.13 0.00 0.09 0.00 0.00 178.44 179.13 1n5i h ALA 183 N 1.26 0.34 0.00 1.53 0.00 -1.10 -0.67 119.26 120.61 1n5i h ALA 183 Ca 0.24 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1n5i h ALA 183 Cb 0.03 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1n5i h ALA 183 CO -0.11 -0.11 -0.15 0.00 0.00 0.00 0.00 179.25 178.89 1n5i h ALA 184 N 0.99 1.71 0.00 0.00 0.00 -1.04 -2.00 119.26 118.93 1n5i h ALA 184 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1n5i h ALA 184 Cb 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1n5i h ALA 184 CO -0.01 0.19 -0.28 0.37 0.00 0.00 0.00 179.25 179.52 1n5i h GLN 185 N 0.00 0.00 -2.52 0.00 4.15 -0.73 -3.48 115.11 112.54 1n5i h GLN 185 Ca -0.00 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.21 1n5i h GLN 185 Cb 0.28 0.00 0.03 0.00 0.21 0.00 0.00 27.48 28.00 1n5i h GLN 185 CO 0.02 0.00 -0.31 0.41 -1.93 0.00 0.00 178.83 177.02 1n5i n GLY 186 N 1.20 0.06 3.66 2.39 0.00 -0.35 -4.92 105.19 107.24 1n5i n GLY 186 Ca 0.04 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 1n5i n GLY 186 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1n5i s TRP 187 N -2.85 1.39 0.00 1.61 -0.00 -0.68 -2.02 118.94 116.39 1n5i s TRP 187 Ca 0.15 -0.41 0.00 0.00 -0.00 0.00 0.00 56.10 55.85 1n5i s TRP 187 Cb -0.07 -4.24 0.00 0.00 -0.00 0.00 0.00 33.47 29.17 1n5i s TRP 187 CO 0.19 -5.49 0.00 0.41 -0.00 0.00 0.00 176.95 172.06 1n5i n GLY 188 N 4.50 0.66 0.00 5.86 0.00 -1.26 -4.83 105.19 110.13 1n5i n GLY 188 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1n5i n GLY 188 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n5i n GLY 189 N -1.98 0.60 3.78 -0.02 0.00 -0.85 -4.21 105.19 102.51 1n5i n GLY 189 Ca 0.00 -1.88 -0.36 0.00 0.00 0.00 0.00 46.02 43.78 1n5i n GLY 189 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1n5i s ARG 190 N -1.15 4.21 0.38 1.61 1.70 -1.26 -4.51 118.95 119.93 1n5i s ARG 190 Ca 0.00 1.46 0.08 0.00 -0.47 0.00 0.00 55.73 56.80 1n5i s ARG 190 Cb 0.00 -2.54 -0.07 0.00 -0.57 0.00 0.00 34.95 31.77 1n5i s ARG 190 CO 0.00 -0.10 -0.00 -1.58 -1.08 0.00 0.00 175.30 172.54 1n5i s TRP 191 N -1.69 2.50 -0.02 5.89 0.52 -1.26 -1.74 118.94 123.14 1n5i s TRP 191 Ca 0.57 -0.59 -0.01 0.00 0.02 0.00 0.00 56.10 56.10 1n5i s TRP 191 Cb -0.21 -1.65 0.01 0.00 -1.15 0.00 0.00 33.47 30.47 1n5i s TRP 191 CO 0.26 0.47 0.04 -0.51 0.02 0.00 0.00 176.95 177.23 1n5i s LEU 192 N -3.70 1.54 -0.19 2.99 1.43 -0.66 -4.90 118.68 115.20 1n5i s LEU 192 Ca 0.35 0.08 -0.03 0.00 -1.03 0.00 0.00 54.13 53.50 1n5i s LEU 192 Cb 0.06 0.08 -0.02 0.00 0.03 0.00 0.00 46.19 46.35 1n5i s LEU 192 CO 0.18 -0.06 -0.06 -0.69 0.23 0.00 0.00 176.35 175.96 1n5i s VAL 193 N 0.43 3.47 0.28 -1.59 1.01 -1.26 -0.54 120.40 122.20 1n5i s VAL 193 Ca -0.03 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1n5i s VAL 193 Cb -0.05 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 1n5i s VAL 193 CO -0.01 0.46 0.09 0.68 0.00 0.00 0.00 175.10 176.32 1n5i s VAL 194 N 0.95 0.68 0.48 2.92 -7.23 -0.18 -4.97 120.40 113.05 1n5i s VAL 194 Ca -0.00 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.21 1n5i s VAL 194 Cb -0.15 -2.66 -0.02 0.00 0.56 0.00 0.00 36.38 34.12 1n5i s VAL 194 CO 0.01 0.00 0.18 -0.83 -0.31 0.00 0.00 175.10 174.15 1n5i s GLY 195 N -3.37 2.56 0.55 2.32 0.00 -1.26 -1.23 107.32 106.89 1n5i s GLY 195 Ca 0.37 -1.35 0.37 0.00 0.00 0.00 0.00 44.72 44.10 1n5i s GLY 195 CO 0.14 -2.02 2.11 0.00 0.00 0.00 0.00 173.10 173.33 1n5i h ALA 196 N 1.22 1.00 -0.02 3.20 0.00 -1.91 -1.87 119.26 120.88 1n5i h ALA 196 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1n5i h ALA 196 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1n5i h ALA 196 CO 0.68 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.53 1n5i n ASP 197 N -2.86 1.46 -4.63 0.00 5.68 -1.26 -4.96 116.55 109.97 1n5i n ASP 197 Ca -0.02 -1.50 -0.41 0.00 -0.50 0.00 0.00 54.79 52.37 1n5i n ASP 197 Cb 0.13 -0.01 0.01 0.00 -1.14 0.00 0.00 41.12 40.11 1n5i n ASP 197 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1n5i n VAL 198 N 0.15 2.51 -2.92 2.12 3.14 -0.71 -4.93 118.33 117.69 1n5i n VAL 198 Ca 0.19 -0.50 -0.42 0.00 -2.96 0.00 0.00 64.34 60.65 1n5i n VAL 198 Cb 0.35 -1.26 -0.05 0.00 -1.06 0.00 0.00 33.84 31.82 1n5i n VAL 198 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1n5i s ASP 199 N -0.70 6.70 0.25 6.55 2.15 -1.26 -4.95 116.67 125.40 1n5i s ASP 199 Ca 0.63 0.72 -0.04 0.00 0.43 0.00 0.00 52.55 54.29 1n5i s ASP 199 Cb -0.54 -2.42 0.45 0.00 -0.30 0.00 0.00 42.92 40.10 1n5i s ASP 199 CO 0.57 -0.62 1.76 -0.65 -0.17 0.00 0.00 175.17 176.05 1n5i h PRO 200 N 8.08 0.54 -0.14 4.34 0.11 -1.91 0.92 132.00 143.93 1n5i h PRO 200 Ca -0.24 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.84 1n5i h PRO 200 Cb 1.09 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1n5i h PRO 200 CO 0.89 0.36 0.08 0.78 -0.21 0.00 0.00 178.00 179.90 1n5i h GLY 201 N 0.56 0.19 1.08 -0.55 0.00 -1.92 -0.35 103.07 102.08 1n5i h GLY 201 Ca 0.41 -0.06 -0.16 0.00 0.00 0.00 0.00 47.33 47.52 1n5i h GLY 201 CO -0.35 0.06 -0.46 3.21 0.00 0.00 0.00 176.54 179.00 1n5i h ARG 202 N 0.17 0.81 -0.71 4.80 3.08 -1.86 -2.16 114.38 118.52 1n5i h ARG 202 Ca 0.05 -0.50 0.02 0.00 0.07 0.00 0.00 59.98 59.62 1n5i h ARG 202 Cb -0.00 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.06 1n5i h ARG 202 CO -0.03 1.13 0.46 1.25 -1.07 0.00 0.00 179.97 181.72 1n5i h LEU 203 N 0.58 0.79 -1.01 3.04 5.85 -0.73 -0.09 115.31 123.74 1n5i h LEU 203 Ca 0.02 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 1n5i h LEU 203 Cb 1.06 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 1n5i h LEU 203 CO 0.11 0.56 0.07 0.00 -0.34 0.00 0.00 178.44 178.83 1n5i h ALA 204 N 1.28 1.19 -0.61 1.25 0.00 -1.01 -1.16 119.26 120.20 1n5i h ALA 204 Ca 0.27 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1n5i h ALA 204 Cb -0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1n5i h ALA 204 CO -0.08 0.54 0.04 0.00 0.00 0.00 0.00 179.25 179.76 1n5i h ALA 205 N 1.33 0.82 -0.52 0.00 0.00 -0.66 0.10 119.26 120.32 1n5i h ALA 205 Ca 0.16 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1n5i h ALA 205 Cb 0.36 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1n5i h ALA 205 CO 0.01 0.63 0.15 1.15 0.00 0.00 0.00 179.25 181.18 1n5i h THR 206 N 0.95 1.24 -0.00 0.00 2.02 -0.52 -3.10 112.91 113.50 1n5i h THR 206 Ca 0.18 -0.81 -0.17 0.00 0.77 0.00 0.00 66.41 66.38 1n5i h THR 206 Cb 0.51 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 1n5i h THR 206 CO 0.02 0.30 -0.78 -0.07 0.37 0.00 0.00 175.52 175.37 1n5i h LEU 207 N 0.72 0.05 -1.38 2.58 3.38 -1.03 -3.52 115.31 116.11 1n5i h LEU 207 Ca 0.17 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1n5i h LEU 207 Cb 0.30 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1n5i h LEU 207 CO -0.00 0.80 0.00 0.00 0.09 0.00 0.00 178.44 179.33