#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ist s GLN 3 N 0.00 3.42 0.31 1.43 -0.21 -1.26 -0.17 119.66 123.19 1ist s GLN 3 Ca 0.00 -0.65 0.09 0.00 0.02 0.00 0.00 55.36 54.82 1ist s GLN 3 Cb 0.00 -2.74 -0.06 0.00 1.00 0.00 0.00 33.01 31.21 1ist s GLN 3 CO 0.00 0.14 -0.11 0.14 -2.12 0.00 0.00 175.29 173.34 1ist s VAL 4 N 0.57 2.14 0.04 1.09 -7.23 -0.35 -0.73 120.40 115.93 1ist s VAL 4 Ca -0.07 -2.22 -0.01 0.00 -1.81 0.00 0.00 61.98 57.87 1ist s VAL 4 Cb -0.15 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.23 1ist s VAL 4 CO 0.03 -0.27 -0.03 -0.72 -0.31 0.00 0.00 175.10 173.80 1ist s TYR 5 N -2.69 0.44 -0.13 2.82 -0.85 -0.02 -0.92 117.35 116.00 1ist s TYR 5 Ca 0.31 -0.90 0.01 0.00 -0.52 0.00 0.00 57.07 55.97 1ist s TYR 5 Cb 0.01 -0.33 -0.00 0.00 0.38 0.00 0.00 41.96 42.02 1ist s TYR 5 CO 0.15 -0.32 -0.18 -0.06 -1.52 0.00 0.00 175.55 173.62 1ist s PHE 6 N -3.16 2.72 -0.37 -3.49 2.99 -0.07 -1.41 117.98 115.18 1ist s PHE 6 Ca -0.00 -0.95 -0.18 0.00 0.00 0.00 0.00 56.93 55.80 1ist s PHE 6 Cb 0.02 -1.82 0.00 0.00 0.00 0.00 0.00 43.02 41.23 1ist s PHE 6 CO -0.07 -0.39 0.47 -0.51 -0.00 0.00 0.00 175.22 174.72 1ist s ASP 7 N 0.55 6.26 -0.01 1.36 1.01 0.43 -0.61 116.67 125.66 1ist s ASP 7 Ca -0.11 -0.25 -0.01 0.00 0.71 0.00 0.00 52.55 52.89 1ist s ASP 7 Cb -0.16 -2.25 -0.04 0.00 1.01 0.00 0.00 42.92 41.48 1ist s ASP 7 CO 0.04 -0.50 0.12 -0.69 0.21 0.00 0.00 175.17 174.34 1ist s VAL 8 N 2.29 4.98 0.01 -1.27 1.01 -0.73 -0.46 120.40 126.24 1ist s VAL 8 Ca 0.16 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1ist s VAL 8 Cb -0.16 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 1ist s VAL 8 CO 0.14 0.34 -0.01 -1.61 0.00 0.00 0.00 175.10 173.96 1ist s GLU 9 N -1.80 0.10 -0.18 2.72 2.02 -0.32 -1.61 118.70 119.63 1ist s GLU 9 Ca 0.24 -0.19 -0.01 0.00 0.02 0.00 0.00 54.97 55.03 1ist s GLU 9 Cb -0.12 0.03 -0.00 0.00 0.10 0.00 0.00 34.13 34.13 1ist s GLU 9 CO 0.15 -0.01 -0.12 0.00 0.02 0.00 0.00 175.26 175.30 1ist s ALA 10 N -0.46 2.60 -1.08 5.21 0.00 -0.11 -1.14 121.76 126.78 1ist s ALA 10 Ca -0.05 -1.10 -0.26 0.00 0.00 0.00 0.00 51.96 50.55 1ist s ALA 10 Cb -0.03 -1.39 0.04 0.00 0.00 0.00 0.00 23.12 21.74 1ist s ALA 10 CO -0.00 -0.20 0.50 -0.25 0.00 0.00 0.00 175.76 175.81 1ist n ASP 11 N 4.35 -2.88 0.00 0.00 8.00 0.72 -0.58 116.55 126.17 1ist n ASP 11 Ca -0.19 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.19 1ist n ASP 11 Cb 0.51 -1.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.26 1ist n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ist n GLY 12 N -2.01 2.71 3.71 0.44 0.00 -1.26 -4.99 105.19 103.79 1ist n GLY 12 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 1ist n GLY 12 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ist s GLN 13 N 0.00 4.33 0.07 1.61 -1.52 0.25 -5.03 119.66 119.38 1ist s GLN 13 Ca 0.00 0.56 -0.31 0.00 -1.95 0.00 0.00 55.36 53.67 1ist s GLN 13 Cb 0.00 -3.47 -0.08 0.00 -0.22 0.00 0.00 33.01 29.24 1ist s GLN 13 CO 0.00 0.06 1.57 -1.25 -0.25 0.00 0.00 175.29 175.42 1ist s PRO 14 N 0.90 4.23 -0.21 2.91 0.04 -1.26 -0.94 135.00 140.67 1ist s PRO 14 Ca 0.29 2.24 -0.12 0.00 0.04 0.00 0.00 61.00 63.45 1ist s PRO 14 Cb -0.16 -3.49 -0.19 0.00 0.04 0.00 0.00 34.50 30.70 1ist s PRO 14 CO 0.12 -0.66 0.03 -0.89 0.04 0.00 0.00 177.00 175.65 1ist n ILE 15 N 4.53 1.59 0.00 0.56 5.41 -0.64 -4.93 119.36 125.88 1ist n ILE 15 Ca 0.15 -0.37 0.00 0.00 1.00 0.00 0.00 62.75 63.53 1ist n ILE 15 Cb 0.41 -1.82 0.00 0.00 -0.71 0.00 0.00 39.64 37.52 1ist n ILE 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ist n GLY 16 N 1.67 2.39 3.67 7.39 0.00 -1.23 -4.95 105.19 114.13 1ist n GLY 16 Ca -0.40 -1.37 -0.36 0.00 0.00 0.00 0.00 46.02 43.88 1ist n GLY 16 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ist s ARG 17 N -1.98 4.09 -0.19 1.61 3.52 -1.26 -1.77 118.95 122.98 1ist s ARG 17 Ca 0.00 -0.24 -0.09 0.00 -0.13 0.00 0.00 55.73 55.27 1ist s ARG 17 Cb 0.00 -3.52 -0.05 0.00 -1.56 0.00 0.00 34.95 29.82 1ist s ARG 17 CO 0.00 0.09 0.10 0.08 -0.81 0.00 0.00 175.30 174.76 1ist s VAL 18 N 0.98 5.18 -0.10 7.11 1.01 0.22 -4.21 120.40 130.58 1ist s VAL 18 Ca 0.08 0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.18 1ist s VAL 18 Cb -0.13 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 1ist s VAL 18 CO 0.04 0.45 -0.15 -0.69 0.00 0.00 0.00 175.10 174.75 1ist s VAL 19 N 0.33 2.92 -0.02 2.92 1.01 -0.32 -0.90 120.40 126.35 1ist s VAL 19 Ca 0.06 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.38 1ist s VAL 19 Cb -0.11 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 1ist s VAL 19 CO -0.01 0.55 -0.23 -0.36 0.00 0.00 0.00 175.10 175.05 1ist s PHE 20 N 0.01 2.03 -0.16 5.22 0.40 -0.10 -0.34 117.98 125.04 1ist s PHE 20 Ca -0.05 -0.39 -0.08 0.00 -0.60 0.00 0.00 56.93 55.81 1ist s PHE 20 Cb -0.14 -1.31 -0.04 0.00 0.51 0.00 0.00 43.02 42.03 1ist s PHE 20 CO 0.04 -0.04 0.12 -1.59 0.70 0.00 0.00 175.22 174.45 1ist s LYS 21 N -0.51 3.81 -0.12 0.44 -2.85 -0.69 -1.21 119.74 118.60 1ist s LYS 21 Ca 0.08 -0.21 -0.09 0.00 -1.00 0.00 0.00 55.97 54.75 1ist s LYS 21 Cb -0.09 -3.27 -0.04 0.00 -2.06 0.00 0.00 37.83 32.37 1ist s LYS 21 CO -0.01 0.50 0.19 -0.51 0.10 0.00 0.00 175.35 175.62 1ist s LEU 22 N -0.24 4.36 -1.51 2.77 1.43 0.76 -1.94 118.68 124.31 1ist s LEU 22 Ca 0.10 0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 53.58 1ist s LEU 22 Cb -0.12 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 43.89 1ist s LEU 22 CO 0.01 0.33 2.61 -1.22 0.23 0.00 0.00 176.35 178.31 1ist n TYR 23 N 2.39 2.80 0.36 0.29 0.53 0.21 -3.70 117.16 120.04 1ist n TYR 23 Ca -0.18 -2.97 0.11 0.00 -1.02 0.00 0.00 57.90 53.85 1ist n TYR 23 Cb 0.54 -2.46 0.48 0.00 -1.03 0.00 0.00 39.34 36.86 1ist n TYR 23 CO 0.00 0.00 0.00 0.27 -1.02 0.00 0.00 176.86 176.11 1ist n ASN 24 N 4.72 0.57 -1.26 7.72 6.94 -1.26 -1.62 115.26 131.07 1ist n ASN 24 Ca 0.66 0.66 0.10 0.00 -0.02 0.00 0.00 54.58 55.98 1ist n ASN 24 Cb 0.29 -0.77 0.30 0.00 -2.36 0.00 0.00 39.78 37.24 1ist n ASN 24 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1ist n ASP 25 N -2.15 3.90 0.00 0.53 5.75 -1.26 -3.70 116.55 119.62 1ist n ASP 25 Ca 0.02 -2.07 0.00 0.00 -0.01 0.00 0.00 54.79 52.72 1ist n ASP 25 Cb 0.19 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 39.82 1ist n ASP 25 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 1ist n ILE 26 N 1.36 0.00 -3.27 2.12 5.41 -0.92 -4.91 119.36 119.15 1ist n ILE 26 Ca 0.23 0.00 -0.25 0.00 1.00 0.00 0.00 62.75 63.73 1ist n ILE 26 Cb 0.63 -0.51 -0.08 0.00 -0.71 0.00 0.00 39.64 38.98 1ist n ILE 26 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1ist n VAL 27 N -2.34 0.07 -0.27 1.39 0.24 -0.64 -4.90 118.33 111.88 1ist n VAL 27 Ca 0.00 -4.29 -0.06 0.00 -2.04 0.00 0.00 64.34 57.95 1ist n VAL 27 Cb 0.37 -1.98 0.05 0.00 -1.47 0.00 0.00 33.84 30.81 1ist n VAL 27 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1ist h PRO 28 N 4.16 1.09 -0.12 7.34 0.13 -1.74 -0.32 132.00 142.54 1ist h PRO 28 Ca 0.11 -0.19 -0.17 0.00 -0.87 0.00 0.00 66.00 64.89 1ist h PRO 28 Cb 0.83 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 1ist h PRO 28 CO 0.55 0.88 -0.65 -0.22 -0.23 0.00 0.00 178.00 178.34 1ist h LYS 29 N 1.05 0.45 -0.10 0.86 3.64 -1.94 -1.05 116.57 119.48 1ist h LYS 29 Ca 0.25 -0.33 -0.12 0.00 -1.27 0.00 0.00 60.65 59.18 1ist h LYS 29 Cb 0.19 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1ist h LYS 29 CO -0.02 0.95 -0.40 1.15 -2.27 0.00 0.00 179.45 178.86 1ist h THR 30 N 0.33 1.38 -0.54 1.00 2.02 -1.92 -2.23 112.91 112.94 1ist h THR 30 Ca -0.01 -1.73 -0.03 0.00 0.77 0.00 0.00 66.41 65.40 1ist h THR 30 Cb 1.20 2.19 -0.03 0.00 -1.74 0.00 0.00 68.15 69.77 1ist h THR 30 CO 0.11 0.51 0.22 0.00 0.37 0.00 0.00 175.52 176.74 1ist h ALA 31 N 0.48 1.37 -0.35 6.16 0.00 -1.07 -2.69 119.26 123.16 1ist h ALA 31 Ca -0.02 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1ist h ALA 31 Cb 1.03 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1ist h ALA 31 CO 0.08 0.48 -0.18 1.49 0.00 0.00 0.00 179.25 181.12 1ist h GLU 32 N 0.77 0.74 -0.28 0.00 4.57 -1.13 -0.23 114.58 119.02 1ist h GLU 32 Ca 0.19 -0.33 0.07 0.00 -1.18 0.00 0.00 59.36 58.10 1ist h GLU 32 Cb 0.15 -0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 28.64 1ist h GLU 32 CO -0.02 0.94 -0.29 -0.97 -1.18 0.00 0.00 179.01 177.49 1ist h ASN 33 N 0.52 -0.94 -0.84 1.04 -1.24 -1.23 -0.80 115.58 112.09 1ist h ASN 33 Ca 0.08 0.16 -0.00 0.00 0.71 0.00 0.00 56.30 57.24 1ist h ASN 33 Cb 0.73 0.43 -0.04 0.00 0.73 0.00 0.00 38.32 40.17 1ist h ASN 33 CO 0.05 -0.31 0.51 0.15 -1.29 0.00 0.00 177.43 176.54 1ist h PHE 34 N -0.29 1.11 0.14 0.67 3.04 -1.41 -1.14 116.94 119.06 1ist h PHE 34 Ca 0.14 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.08 1ist h PHE 34 Cb 0.51 -0.36 0.00 0.00 2.56 0.00 0.00 35.95 38.66 1ist h PHE 34 CO -0.45 0.74 -0.07 -0.09 -2.02 0.00 0.00 178.31 176.42 1ist h ARG 35 N 1.15 -0.18 -0.75 1.11 2.43 -0.46 -0.61 114.38 117.08 1ist h ARG 35 Ca 0.30 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.50 1ist h ARG 35 Cb -0.05 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 1ist h ARG 35 CO -0.06 0.03 0.49 0.00 -1.51 0.00 0.00 179.97 178.93 1ist h ALA 36 N 0.47 1.51 0.00 2.80 0.00 -1.14 -0.79 119.26 122.11 1ist h ALA 36 Ca -0.02 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1ist h ALA 36 Cb 0.29 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1ist h ALA 36 CO 0.03 0.43 -0.50 -0.07 0.00 0.00 0.00 179.25 179.14 1ist h LEU 37 N 0.96 0.00 -0.32 0.00 3.38 -0.93 -1.07 115.31 117.33 1ist h LEU 37 Ca 0.28 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.17 1ist h LEU 37 Cb -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1ist h LEU 37 CO -0.07 0.50 -0.12 0.00 0.09 0.00 0.00 178.44 178.84 1ist h THR 39 N 0.42 0.59 -0.22 0.00 1.35 -1.06 -3.20 112.91 110.79 1ist h THR 39 Ca 0.08 -1.76 -0.09 0.00 -0.55 0.00 0.00 66.41 64.08 1ist h THR 39 Cb 0.64 2.23 -0.04 0.00 -1.73 0.00 0.00 68.15 69.26 1ist h THR 39 CO 0.04 0.33 -0.09 0.61 -0.25 0.00 0.00 175.52 176.16 1ist n GLY 40 N 1.07 0.65 0.32 5.82 0.00 -0.42 -4.89 105.19 107.74 1ist n GLY 40 Ca 0.02 -0.21 0.20 0.00 0.00 0.00 0.00 46.02 46.03 1ist n GLY 40 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1ist h GLU 41 N 0.27 0.00 0.00 1.61 4.11 -1.80 -0.05 114.58 118.73 1ist h GLU 41 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.34 1ist h GLU 41 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1ist h GLU 41 CO 0.14 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.85 1ist n LYS 42 N -3.37 1.00 -0.41 1.06 4.01 -1.26 -4.88 118.16 114.31 1ist n LYS 42 Ca -0.03 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.77 1ist n LYS 42 Cb 0.08 -1.40 0.00 0.00 -0.51 0.00 0.00 35.03 33.21 1ist n LYS 42 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ist n GLY 43 N 0.89 1.15 3.19 0.72 0.00 -0.03 -5.01 105.19 106.10 1ist n GLY 43 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 1ist n GLY 43 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ist s PHE 44 N -3.03 0.18 -4.05 1.61 -0.71 -1.24 -5.10 117.98 105.64 1ist s PHE 44 Ca 0.00 -0.59 0.00 0.00 -1.04 0.00 0.00 56.93 55.30 1ist s PHE 44 Cb 0.00 -0.09 0.00 0.00 -1.21 0.00 0.00 43.02 41.72 1ist s PHE 44 CO 0.00 -0.50 0.00 0.41 -1.34 0.00 0.00 175.22 173.79 1ist n GLY 45 N 0.10 -0.99 0.17 1.99 0.00 -1.26 -4.28 105.19 100.92 1ist n GLY 45 Ca -0.16 -1.09 0.13 0.00 0.00 0.00 0.00 46.02 44.90 1ist n GLY 45 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1ist h TYR 46 N 0.00 0.00 -2.32 1.61 0.05 -1.27 -3.45 116.97 111.58 1ist h TYR 46 Ca 0.00 0.00 -0.57 0.00 0.05 0.00 0.00 58.73 58.21 1ist h TYR 46 Cb 0.00 0.00 0.04 0.00 1.01 0.00 0.00 36.73 37.78 1ist h TYR 46 CO 0.00 0.00 0.97 0.00 -1.05 0.00 0.00 178.16 178.08 1ist n ALA 47 N -1.94 1.64 -0.13 3.88 0.00 -1.26 -0.87 120.51 121.83 1ist n ALA 47 Ca 0.04 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1ist n ALA 47 Cb 0.41 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.39 1ist n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ist n GLY 48 N 3.91 0.94 3.85 0.00 0.00 0.12 -5.01 105.19 109.00 1ist n GLY 48 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1ist n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ist s SER 49 N -2.82 6.80 0.54 1.61 1.04 -0.05 -4.77 113.70 116.05 1ist s SER 49 Ca 0.00 1.15 -0.07 0.00 0.48 0.00 0.00 55.95 57.50 1ist s SER 49 Cb 0.00 -2.32 -0.04 0.00 0.10 0.00 0.00 66.02 63.77 1ist s SER 49 CO 0.00 -0.03 0.88 -2.16 0.98 0.00 0.00 173.24 172.91 1ist s PRO 50 N -2.44 3.54 -0.79 4.02 0.04 -1.26 -1.07 135.00 137.04 1ist s PRO 50 Ca 0.45 0.39 -0.19 0.00 0.04 0.00 0.00 61.00 61.70 1ist s PRO 50 Cb -0.13 -2.26 0.12 0.00 0.04 0.00 0.00 34.50 32.27 1ist s PRO 50 CO 0.20 -0.36 0.96 -0.06 0.04 0.00 0.00 177.00 177.78 1ist s PHE 51 N -2.91 3.08 -0.84 0.56 0.40 -0.00 -3.98 117.98 114.27 1ist s PHE 51 Ca 0.50 -1.20 0.27 0.00 -0.60 0.00 0.00 56.93 55.91 1ist s PHE 51 Cb -0.11 -4.17 0.93 0.00 0.51 0.00 0.00 43.02 40.18 1ist s PHE 51 CO 0.48 -1.42 1.79 -2.39 0.70 0.00 0.00 175.22 174.38 1ist n HIS 52 N 6.43 0.50 -3.33 0.36 1.44 -0.70 -4.69 115.22 115.24 1ist n HIS 52 Ca 0.10 0.15 -0.06 0.00 -2.01 0.00 0.00 57.72 55.90 1ist n HIS 52 Cb 0.47 -0.72 -0.06 0.00 0.12 0.00 0.00 29.99 29.79 1ist n HIS 52 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 1ist s ARG 53 N -3.06 0.40 -0.28 -1.40 3.52 -1.06 -4.74 118.95 112.33 1ist s ARG 53 Ca 0.12 0.69 0.00 0.00 -0.13 0.00 0.00 55.73 56.41 1ist s ARG 53 Cb 0.15 -0.17 0.05 0.00 -1.56 0.00 0.00 34.95 33.42 1ist s ARG 53 CO 0.58 -0.61 -0.05 0.08 -0.81 0.00 0.00 175.30 174.50 1ist s VAL 54 N 2.63 2.62 -0.31 7.11 1.01 -1.04 0.88 120.40 133.30 1ist s VAL 54 Ca 0.14 -1.48 -0.01 0.00 0.00 0.00 0.00 61.98 60.62 1ist s VAL 54 Cb -0.15 -2.51 0.05 0.00 0.00 0.00 0.00 36.38 33.77 1ist s VAL 54 CO -0.17 -0.06 0.01 -0.63 0.00 0.00 0.00 175.10 174.25 1ist s ILE 55 N 1.19 2.95 0.41 2.22 1.01 -0.04 -2.12 121.20 126.83 1ist s ILE 55 Ca -0.07 -1.46 -0.27 0.00 0.00 0.00 0.00 60.65 58.86 1ist s ILE 55 Cb -0.20 -2.73 -0.10 0.00 0.01 0.00 0.00 42.46 39.44 1ist s ILE 55 CO -0.03 -0.15 1.46 -2.84 0.00 0.00 0.00 174.94 173.38 1ist s PRO 56 N 1.23 3.93 -1.75 2.79 0.02 -1.26 -1.57 135.00 138.40 1ist s PRO 56 Ca -0.04 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.48 1ist s PRO 56 Cb -0.20 -2.84 0.00 0.00 0.02 0.00 0.00 34.50 31.48 1ist s PRO 56 CO -0.02 -0.65 0.00 -0.25 -0.33 0.00 0.00 177.00 175.76 1ist n ASP 57 N 0.19 -5.52 0.00 2.53 8.00 -1.26 -4.79 116.55 115.70 1ist n ASP 57 Ca 0.03 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.63 1ist n ASP 57 Cb 0.40 -4.66 0.00 0.00 -0.02 0.00 0.00 41.12 36.84 1ist n ASP 57 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1ist n PHE 58 N -3.61 -0.14 -3.71 1.24 -0.00 -0.86 -4.79 117.46 105.58 1ist n PHE 58 Ca -0.23 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.20 1ist n PHE 58 Cb 0.67 0.20 -0.01 0.00 -0.00 0.00 0.00 39.48 40.34 1ist n PHE 58 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1ist s MET 59 N -0.40 0.96 -0.25 -4.13 0.23 -0.61 -1.74 119.30 113.38 1ist s MET 59 Ca 0.00 -0.53 -0.02 0.00 -1.03 0.00 0.00 55.69 54.11 1ist s MET 59 Cb 0.00 0.33 0.02 0.00 -1.53 0.00 0.00 34.83 33.65 1ist s MET 59 CO 0.00 -0.44 -0.06 -0.51 -2.03 0.00 0.00 175.02 171.98 1ist s LEU 60 N -2.95 3.17 -0.14 0.18 1.02 -0.62 -0.86 118.68 118.49 1ist s LEU 60 Ca 0.13 -0.82 -0.04 0.00 0.02 0.00 0.00 54.13 53.42 1ist s LEU 60 Cb 0.00 -1.67 -0.03 0.00 0.02 0.00 0.00 46.19 44.51 1ist s LEU 60 CO 0.00 -0.12 -0.01 -1.58 0.02 0.00 0.00 176.35 174.66 1ist s GLN 61 N 1.34 3.53 0.00 1.70 0.74 0.25 -0.88 119.66 126.35 1ist s GLN 61 Ca 0.01 -0.47 0.00 0.00 0.05 0.00 0.00 55.36 54.95 1ist s GLN 61 Cb -0.16 -2.92 0.00 0.00 1.10 0.00 0.00 33.01 31.02 1ist s GLN 61 CO -0.04 0.37 0.00 0.41 -0.55 0.00 0.00 175.29 175.48 1ist n GLY 62 N 3.16 4.25 1.60 2.59 0.00 -0.45 -1.71 105.19 114.62 1ist n GLY 62 Ca -0.18 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1ist n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ist n GLY 63 N 0.00 0.77 3.47 -0.02 0.00 -1.26 -2.12 105.19 106.03 1ist n GLY 63 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1ist n GLY 63 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ist s ASP 64 N -2.72 6.62 0.00 1.61 -1.08 -1.26 -3.90 116.67 115.94 1ist s ASP 64 Ca 0.00 -1.98 0.19 0.00 -0.52 0.00 0.00 52.55 50.24 1ist s ASP 64 Cb 0.00 -2.42 0.71 0.00 -1.46 0.00 0.00 42.92 39.75 1ist s ASP 64 CO 0.00 -1.12 1.52 2.22 0.52 0.00 0.00 175.17 178.31 1ist n PHE 65 N 6.86 0.23 -0.13 -5.34 -1.74 -1.26 -2.55 117.46 113.53 1ist n PHE 65 Ca 0.26 -0.11 -0.27 0.00 -0.56 0.00 0.00 57.45 56.76 1ist n PHE 65 Cb 0.49 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.39 1ist n PHE 65 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 1ist n THR 66 N 0.29 1.53 0.06 1.97 -2.24 -1.26 -4.84 114.28 109.80 1ist n THR 66 Ca 0.15 -0.30 0.01 0.00 -2.27 0.00 0.00 64.05 61.65 1ist n THR 66 Cb 0.31 -1.90 -0.02 0.00 -2.10 0.00 0.00 70.33 66.62 1ist n THR 66 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ist n ALA 67 N -3.95 2.22 -0.91 6.98 0.00 -1.26 -5.00 120.51 118.59 1ist n ALA 67 Ca -0.48 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1ist n ALA 67 Cb 0.84 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.20 1ist n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ist n GLY 68 N 1.61 0.36 0.00 0.00 0.00 -1.06 -4.79 105.19 101.31 1ist n GLY 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ist n GLY 68 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ist n ASN 69 N -0.30 0.83 0.00 1.61 0.23 -1.26 -4.71 115.26 111.67 1ist n ASN 69 Ca 0.00 -1.15 0.00 0.00 -0.53 0.00 0.00 54.58 52.90 1ist n ASN 69 Cb 0.15 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.85 1ist n ASN 69 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ist n GLY 70 N -0.07 0.69 0.01 4.83 0.00 -1.26 -4.96 105.19 104.42 1ist n GLY 70 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1ist n GLY 70 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ist n THR 71 N -1.09 0.03 -1.80 2.61 -2.24 -1.26 -5.00 114.28 105.53 1ist n THR 71 Ca 0.00 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1ist n THR 71 Cb 0.00 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 1ist n THR 71 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ist n GLY 72 N 1.48 4.82 0.00 3.38 0.00 -1.26 -5.01 105.19 108.60 1ist n GLY 72 Ca 0.04 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1ist n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ist n GLY 73 N 5.00 -1.71 3.22 -0.02 0.00 -1.26 -4.70 105.19 105.71 1ist n GLY 73 Ca 0.00 -1.47 -0.12 0.00 0.00 0.00 0.00 46.02 44.43 1ist n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ist s LYS 74 N -3.43 0.72 0.90 1.61 -2.85 -1.26 -4.60 119.74 110.83 1ist s LYS 74 Ca 0.00 -0.45 -0.13 0.00 -1.00 0.00 0.00 55.97 54.40 1ist s LYS 74 Cb 0.00 0.31 0.18 0.00 -2.06 0.00 0.00 37.83 36.25 1ist s LYS 74 CO 0.00 -0.21 1.25 -1.54 0.10 0.00 0.00 175.35 174.95 1ist s SER 75 N -1.82 3.47 0.00 0.03 1.04 -1.23 -4.09 113.70 111.09 1ist s SER 75 Ca -0.08 0.19 0.31 0.00 0.48 0.00 0.00 55.95 56.85 1ist s SER 75 Cb -0.03 -0.34 1.66 0.00 0.10 0.00 0.00 66.02 67.41 1ist s SER 75 CO -0.01 -2.50 2.11 2.30 0.98 0.00 0.00 173.24 176.12 1ist n ILE 76 N -3.55 0.00 -0.13 -1.02 -5.35 -1.26 -3.35 119.36 104.70 1ist n ILE 76 Ca 0.15 -0.01 0.10 0.00 -0.27 0.00 0.00 62.75 62.71 1ist n ILE 76 Cb 0.60 -0.43 0.29 0.00 -1.74 0.00 0.00 39.64 38.36 1ist n ILE 76 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1ist n TYR 77 N -1.07 0.96 0.00 4.28 4.01 -1.26 -5.02 117.16 119.06 1ist n TYR 77 Ca 0.19 -0.45 0.00 0.00 -0.16 0.00 0.00 57.90 57.48 1ist n TYR 77 Cb 0.19 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 1ist n TYR 77 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ist n GLY 78 N 1.45 1.18 0.00 2.72 0.00 -1.21 -4.96 105.19 104.37 1ist n GLY 78 Ca 0.22 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1ist n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ist n GLY 79 N 0.00 1.09 3.81 -0.02 0.00 -1.26 -3.94 105.19 104.87 1ist n GLY 79 Ca 0.00 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 1ist n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ist s LYS 80 N 4.32 3.78 0.24 1.61 -0.14 -1.26 -3.55 119.74 124.75 1ist s LYS 80 Ca 0.00 1.25 0.09 0.00 -1.36 0.00 0.00 55.97 55.94 1ist s LYS 80 Cb 0.00 -2.10 -0.05 0.00 -1.68 0.00 0.00 37.83 34.00 1ist s LYS 80 CO 0.00 -0.43 -0.14 -0.59 -0.76 0.00 0.00 175.35 173.43 1ist s PHE 81 N -2.18 1.93 0.75 3.18 -0.12 0.36 -4.83 117.98 117.06 1ist s PHE 81 Ca 0.65 -0.54 -0.15 0.00 -0.05 0.00 0.00 56.93 56.84 1ist s PHE 81 Cb -0.14 -0.93 0.05 0.00 -0.63 0.00 0.00 43.02 41.36 1ist s PHE 81 CO 0.24 0.44 1.24 -2.14 -0.05 0.00 0.00 175.22 174.95 1ist s PRO 82 N -3.63 1.97 -0.05 1.99 0.02 -1.26 -1.97 135.00 132.07 1ist s PRO 82 Ca 0.26 1.88 -0.30 0.00 0.02 0.00 0.00 61.00 62.86 1ist s PRO 82 Cb -0.01 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.67 1ist s PRO 82 CO 0.10 -1.99 1.41 -0.51 -0.33 0.00 0.00 177.00 175.68 1ist s ASP 83 N -1.86 6.85 -0.06 2.53 1.01 -1.26 -4.85 116.67 119.03 1ist s ASP 83 Ca 0.77 2.03 -0.23 0.00 0.71 0.00 0.00 52.55 55.83 1ist s ASP 83 Cb -0.32 -2.55 -0.18 0.00 1.01 0.00 0.00 42.92 40.88 1ist s ASP 83 CO 0.46 -0.76 0.92 -0.08 0.21 0.00 0.00 175.17 175.92 1ist h GLU 84 N 8.25 -0.14 -2.44 8.23 4.81 -2.00 -3.48 114.58 127.80 1ist h GLU 84 Ca -0.35 0.01 0.18 0.00 -0.13 0.00 0.00 59.36 59.07 1ist h GLU 84 Cb 1.16 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.53 1ist h GLU 84 CO 0.93 0.37 0.61 0.54 -0.73 0.00 0.00 179.01 180.72 1ist s ASN 85 N -5.62 -0.02 -0.24 1.04 2.20 -1.26 -5.05 114.94 105.99 1ist s ASN 85 Ca -0.14 -0.59 0.14 0.00 -0.94 0.00 0.00 52.86 51.33 1ist s ASN 85 Cb 0.00 0.46 0.47 0.00 -2.00 0.00 0.00 41.25 40.18 1ist s ASN 85 CO 0.53 -0.91 1.17 0.49 -2.94 0.00 0.00 177.10 175.44 1ist n PHE 86 N -0.68 1.61 0.06 1.54 3.72 -1.26 -4.73 117.46 117.72 1ist n PHE 86 Ca -0.03 -1.91 -0.01 0.00 -0.05 0.00 0.00 57.45 55.45 1ist n PHE 86 Cb 0.60 -0.27 0.28 0.00 -0.94 0.00 0.00 39.48 39.14 1ist n PHE 86 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1ist h LYS 87 N 2.01 0.37 -6.12 -1.08 1.79 -1.96 -3.43 116.57 108.15 1ist h LYS 87 Ca 0.10 -0.11 -0.59 0.00 -2.18 0.00 0.00 60.65 57.87 1ist h LYS 87 Cb 1.41 -0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.98 1ist h LYS 87 CO 0.40 0.55 -0.11 0.15 -1.08 0.00 0.00 179.45 179.37 1ist s LYS 88 N -4.59 4.09 0.24 3.15 -0.14 -1.26 -5.10 119.74 116.13 1ist s LYS 88 Ca -0.06 0.59 0.06 0.00 -1.36 0.00 0.00 55.97 55.20 1ist s LYS 88 Cb 0.15 -3.24 -0.03 0.00 -1.68 0.00 0.00 37.83 33.02 1ist s LYS 88 CO 0.76 0.64 0.24 -1.01 -0.76 0.00 0.00 175.35 175.23 1ist s HIS 89 N -1.02 3.23 -1.49 3.18 3.76 -1.26 -4.53 115.29 117.16 1ist s HIS 89 Ca 0.27 -0.07 -0.12 0.00 -0.15 0.00 0.00 55.06 55.00 1ist s HIS 89 Cb -0.18 -1.47 0.02 0.00 1.11 0.00 0.00 32.58 32.05 1ist s HIS 89 CO 0.16 0.50 2.44 0.72 -0.85 0.00 0.00 174.74 177.71 1ist n HIS 90 N -1.14 3.05 1.02 1.40 -0.00 -1.26 -4.63 115.22 113.66 1ist n HIS 90 Ca -0.08 -2.99 0.11 0.00 -0.00 0.00 0.00 57.72 54.77 1ist n HIS 90 Cb 0.57 -2.42 0.06 0.00 -0.00 0.00 0.00 29.99 28.19 1ist n HIS 90 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1ist n ASP 91 N 4.74 2.29 -3.82 0.41 5.68 -1.26 -0.77 116.55 123.81 1ist n ASP 91 Ca 0.60 -1.64 -0.09 0.00 -0.50 0.00 0.00 54.79 53.15 1ist n ASP 91 Cb 0.33 0.30 -0.07 0.00 -1.14 0.00 0.00 41.12 40.54 1ist n ASP 91 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ist s ARG 92 N -2.32 0.91 0.95 0.11 1.70 -1.26 -4.73 118.95 114.31 1ist s ARG 92 Ca 0.22 -0.93 -0.11 0.00 -0.47 0.00 0.00 55.73 54.44 1ist s ARG 92 Cb 0.19 0.37 0.16 0.00 -0.57 0.00 0.00 34.95 35.10 1ist s ARG 92 CO 0.48 -0.31 1.10 -2.14 -1.08 0.00 0.00 175.30 173.35 1ist s PRO 93 N -3.86 0.80 -0.12 3.89 0.02 -1.26 -4.22 135.00 130.25 1ist s PRO 93 Ca 0.05 1.20 0.00 0.00 0.02 0.00 0.00 61.00 62.27 1ist s PRO 93 Cb 0.04 -1.73 0.00 0.00 0.02 0.00 0.00 34.50 32.83 1ist s PRO 93 CO -0.10 -2.66 0.00 0.41 -0.33 0.00 0.00 177.00 174.31 1ist n GLY 94 N -0.13 0.38 3.80 0.52 0.00 0.53 -4.94 105.19 105.35 1ist n GLY 94 Ca 0.09 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 1ist n GLY 94 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ist s LEU 95 N -0.34 3.99 -0.19 0.99 1.43 -1.25 -0.25 118.68 123.06 1ist s LEU 95 Ca 0.00 0.21 -0.15 0.00 -1.03 0.00 0.00 54.13 53.16 1ist s LEU 95 Cb 0.00 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 1ist s LEU 95 CO 0.00 0.30 0.34 -0.76 0.23 0.00 0.00 176.35 176.46 1ist s LEU 96 N -1.61 4.19 0.01 1.79 1.43 -0.23 -1.06 118.68 123.19 1ist s LEU 96 Ca 0.22 0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 53.77 1ist s LEU 96 Cb -0.12 -2.43 -0.01 0.00 0.03 0.00 0.00 46.19 43.66 1ist s LEU 96 CO 0.12 0.00 0.05 -0.55 0.23 0.00 0.00 176.35 176.20 1ist s SER 97 N 0.84 0.11 0.00 2.29 0.15 -0.71 -0.78 113.70 115.60 1ist s SER 97 Ca 0.17 -0.30 -0.30 0.00 0.70 0.00 0.00 55.95 56.22 1ist s SER 97 Cb -0.14 0.15 -0.04 0.00 -1.71 0.00 0.00 66.02 64.28 1ist s SER 97 CO 0.06 -0.29 1.14 -0.04 1.20 0.00 0.00 173.24 175.31 1ist s MET 98 N -1.22 4.43 0.53 5.44 -1.94 -0.63 -0.92 119.30 124.98 1ist s MET 98 Ca -0.13 1.64 -0.19 0.00 -1.71 0.00 0.00 55.69 55.30 1ist s MET 98 Cb -0.08 -3.45 -0.07 0.00 2.01 0.00 0.00 34.83 33.25 1ist s MET 98 CO 0.00 -0.28 1.06 0.00 -0.01 0.00 0.00 175.02 175.80 1ist s ALA 99 N 1.47 2.79 0.35 3.03 0.00 -0.73 -4.41 121.76 124.26 1ist s ALA 99 Ca 0.56 0.61 -0.16 0.00 0.00 0.00 0.00 51.96 52.96 1ist s ALA 99 Cb -0.25 -3.27 0.04 0.00 0.00 0.00 0.00 23.12 19.63 1ist s ALA 99 CO 0.26 -0.54 0.74 0.54 0.00 0.00 0.00 175.76 176.76 1ist s ASN 100 N -2.12 -0.02 -0.48 0.00 2.20 -1.26 -4.57 114.94 108.69 1ist s ASN 100 Ca 0.68 -1.01 0.03 0.00 -0.94 0.00 0.00 52.86 51.62 1ist s ASN 100 Cb -0.18 0.80 0.44 0.00 -2.00 0.00 0.00 41.25 40.31 1ist s ASN 100 CO 0.26 -1.55 1.54 0.00 -2.94 0.00 0.00 177.10 174.40 1ist n ALA 101 N -0.51 5.61 0.00 3.54 0.00 -1.26 -5.05 120.51 122.84 1ist n ALA 101 Ca -0.06 -3.77 0.00 0.00 0.00 0.00 0.00 53.44 49.60 1ist n ALA 101 Cb 0.60 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1ist n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ist n GLY 102 N -0.74 -2.05 3.68 0.00 0.00 -1.26 -4.97 105.19 99.85 1ist n GLY 102 Ca 0.51 -2.15 -0.44 0.00 0.00 0.00 0.00 46.02 43.93 1ist n GLY 102 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ist n PRO 103 N -0.13 2.16 -3.60 1.61 -0.04 -1.26 -3.63 135.00 130.11 1ist n PRO 103 Ca 0.00 0.77 -0.20 0.00 -0.04 0.00 0.00 63.50 64.03 1ist n PRO 103 Cb 0.00 -2.46 0.05 0.00 -0.04 0.00 0.00 33.50 31.05 1ist n PRO 103 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ist n ASN 104 N 2.34 -1.86 -2.64 3.54 3.02 -1.26 -4.94 115.26 113.45 1ist n ASN 104 Ca 0.12 -0.77 -0.09 0.00 -0.03 0.00 0.00 54.58 53.81 1ist n ASN 104 Cb 0.32 -4.39 0.03 0.00 -0.61 0.00 0.00 39.78 35.14 1ist n ASN 104 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1ist n THR 105 N -4.17 1.40 -2.51 3.41 -2.24 -1.23 -4.47 114.28 104.47 1ist n THR 105 Ca -0.28 -3.32 -0.42 0.00 -2.27 0.00 0.00 64.05 57.76 1ist n THR 105 Cb 0.67 0.52 -0.03 0.00 -2.10 0.00 0.00 70.33 69.39 1ist n THR 105 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1ist s ASN 106 N -3.47 7.19 0.00 3.42 0.01 -0.83 -4.15 114.94 117.11 1ist s ASN 106 Ca 0.32 1.95 0.00 0.00 -0.71 0.00 0.00 52.86 54.42 1ist s ASN 106 Cb 0.40 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.47 1ist s ASN 106 CO -0.02 -0.37 0.00 0.61 -1.51 0.00 0.00 177.10 175.82 1ist n GLY 107 N 2.88 1.16 0.00 0.66 0.00 -1.26 -0.49 105.19 108.14 1ist n GLY 107 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1ist n GLY 107 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ist n SER 108 N 0.00 3.99 -4.76 1.61 3.41 -1.26 -3.60 113.62 113.00 1ist n SER 108 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.23 1ist n SER 108 Cb 0.00 0.79 0.00 0.00 -0.26 0.00 0.00 64.21 64.75 1ist n SER 108 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1ist s GLN 109 N -1.60 3.71 0.13 4.33 -0.21 -1.25 -4.57 119.66 120.20 1ist s GLN 109 Ca 0.00 2.03 -0.04 0.00 0.02 0.00 0.00 55.36 57.37 1ist s GLN 109 Cb 0.00 -2.52 -0.03 0.00 1.00 0.00 0.00 33.01 31.46 1ist s GLN 109 CO 0.00 -0.66 0.14 -0.59 -2.12 0.00 0.00 175.29 172.05 1ist s PHE 110 N -1.37 0.63 0.14 0.91 -0.12 -0.90 -1.77 117.98 115.49 1ist s PHE 110 Ca 0.62 -1.02 0.04 0.00 -0.05 0.00 0.00 56.93 56.53 1ist s PHE 110 Cb -0.35 -0.30 -0.04 0.00 -0.63 0.00 0.00 43.02 41.70 1ist s PHE 110 CO 0.43 -0.58 -0.10 -0.59 -0.05 0.00 0.00 175.22 174.33 1ist s PHE 111 N -4.00 1.24 -0.25 3.49 -0.12 -0.10 -1.35 117.98 116.90 1ist s PHE 111 Ca 0.19 -0.76 -0.03 0.00 -0.05 0.00 0.00 56.93 56.28 1ist s PHE 111 Cb 0.06 -0.64 0.01 0.00 -0.63 0.00 0.00 43.02 41.83 1ist s PHE 111 CO -0.01 0.07 -0.03 0.42 -0.05 0.00 0.00 175.22 175.62 1ist s ILE 112 N -3.28 3.21 0.45 -4.49 1.01 -0.06 -1.74 121.20 116.30 1ist s ILE 112 Ca 0.16 -0.80 -0.22 0.00 0.00 0.00 0.00 60.65 59.79 1ist s ILE 112 Cb 0.02 -2.58 -0.09 0.00 0.01 0.00 0.00 42.46 39.83 1ist s ILE 112 CO 0.00 0.25 1.04 0.42 0.00 0.00 0.00 174.94 176.66 1ist s THR 113 N 1.40 3.77 0.00 2.92 -4.23 -0.22 -1.59 115.64 117.69 1ist s THR 113 Ca 0.02 1.19 0.00 0.00 -1.18 0.00 0.00 61.69 61.72 1ist s THR 113 Cb -0.16 -3.53 0.00 0.00 1.34 0.00 0.00 72.50 70.15 1ist s THR 113 CO -0.03 -0.15 0.80 0.35 -0.54 0.00 0.00 174.62 175.05 1ist n THR 114 N -0.64 0.60 -3.62 3.99 -2.24 -0.71 -0.34 114.28 111.32 1ist n THR 114 Ca 0.08 -0.80 -0.11 0.00 -2.27 0.00 0.00 64.05 60.95 1ist n THR 114 Cb 0.51 0.70 -0.05 0.00 -2.10 0.00 0.00 70.33 69.40 1ist n THR 114 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1ist s VAL 115 N -0.60 0.06 0.31 2.28 -7.23 -1.25 -4.72 120.40 109.24 1ist s VAL 115 Ca 0.00 -0.52 -0.29 0.00 -1.81 0.00 0.00 61.98 59.36 1ist s VAL 115 Cb 0.00 -1.13 -0.12 0.00 0.56 0.00 0.00 36.38 35.69 1ist s VAL 115 CO 0.00 -0.29 1.42 -2.65 -0.31 0.00 0.00 175.10 173.27 1ist n PRO 116 N -0.15 2.30 -3.06 4.82 -0.02 -1.26 -4.33 135.00 133.31 1ist n PRO 116 Ca -0.16 0.81 -0.23 0.00 -2.02 0.00 0.00 63.50 61.90 1ist n PRO 116 Cb 0.63 -2.48 -0.03 0.00 -0.02 0.00 0.00 33.50 31.60 1ist n PRO 116 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ist h PRO 118 N 2.99 0.08 0.00 0.00 0.13 -1.93 -0.22 132.00 133.04 1ist h PRO 118 Ca 0.12 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1ist h PRO 118 Cb 0.73 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1ist h PRO 118 CO 0.66 0.05 0.00 -2.67 -0.23 0.00 0.00 178.00 175.82 1ist n TRP 119 N -4.34 0.21 0.88 1.56 2.14 -1.26 -1.47 117.44 115.16 1ist n TRP 119 Ca 0.16 0.09 0.11 0.00 2.07 0.00 0.00 57.50 59.94 1ist n TRP 119 Cb 0.81 -0.65 0.10 0.00 -0.81 0.00 0.00 31.31 30.76 1ist n TRP 119 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1ist n LEU 120 N -1.70 0.66 -4.67 5.67 4.77 -0.10 -4.91 117.00 116.73 1ist n LEU 120 Ca 0.01 -0.13 -0.49 0.00 -0.03 0.00 0.00 56.01 55.37 1ist n LEU 120 Cb 0.10 -0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.00 1ist n LEU 120 CO 0.09 0.13 1.28 0.47 -1.33 0.00 0.00 177.39 178.04 1ist n ASP 121 N -1.63 2.94 0.00 -1.43 8.00 -0.54 -1.83 116.55 122.05 1ist n ASP 121 Ca 0.04 1.04 0.00 0.00 0.71 0.00 0.00 54.79 56.59 1ist n ASP 121 Cb 0.36 -1.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.13 1ist n ASP 121 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ist n GLY 122 N 3.77 0.71 0.00 0.44 0.00 -1.26 -4.79 105.19 104.06 1ist n GLY 122 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1ist n GLY 122 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ist n LYS 123 N -2.51 1.42 -5.02 1.61 5.02 -0.76 -5.03 118.16 112.88 1ist n LYS 123 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 1ist n LYS 123 Cb 0.00 -0.99 -0.17 0.00 -0.02 0.00 0.00 35.03 33.85 1ist n LYS 123 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1ist s HIS 124 N -1.99 2.13 -0.38 2.13 3.76 -0.89 -4.90 115.29 115.15 1ist s HIS 124 Ca 0.00 -0.75 -0.29 0.00 -0.15 0.00 0.00 55.06 53.88 1ist s HIS 124 Cb 0.00 -1.43 0.01 0.00 1.11 0.00 0.00 32.58 32.27 1ist s HIS 124 CO 0.00 -0.29 1.36 0.08 -0.85 0.00 0.00 174.74 175.04 1ist s VAL 125 N 0.21 4.00 -0.06 -0.90 1.01 -1.26 -4.83 120.40 118.57 1ist s VAL 125 Ca -0.11 1.06 -0.30 0.00 0.00 0.00 0.00 61.98 62.63 1ist s VAL 125 Cb -0.15 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 1ist s VAL 125 CO 0.05 -0.69 1.36 -0.69 0.00 0.00 0.00 175.10 175.13 1ist s VAL 126 N 5.03 3.96 0.00 2.92 1.01 -1.26 -1.61 120.40 130.44 1ist s VAL 126 Ca 0.59 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.83 1ist s VAL 126 Cb -0.14 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1ist s VAL 126 CO 0.30 -0.04 0.20 2.22 0.00 0.00 0.00 175.10 177.77 1ist n PHE 127 N 5.89 0.00 -3.84 5.22 1.16 0.04 -4.77 117.46 121.16 1ist n PHE 127 Ca 0.13 0.00 -0.04 0.00 -1.87 0.00 0.00 57.45 55.67 1ist n PHE 127 Cb 0.44 0.00 0.01 0.00 -1.61 0.00 0.00 39.48 38.33 1ist n PHE 127 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 1ist s GLY 128 N -0.07 0.10 0.09 4.97 0.00 -1.18 -0.62 107.32 110.60 1ist s GLY 128 Ca 0.00 -0.33 -0.05 0.00 0.00 0.00 0.00 44.72 44.33 1ist s GLY 128 CO 0.00 1.36 0.11 1.85 0.00 0.00 0.00 173.10 176.42 1ist s GLU 129 N -2.45 0.81 0.03 2.90 2.56 -0.82 -1.07 118.70 120.66 1ist s GLU 129 Ca 0.18 -1.13 -0.30 0.00 0.00 0.00 0.00 54.97 53.72 1ist s GLU 129 Cb -0.03 0.29 -0.05 0.00 2.00 0.00 0.00 34.13 36.34 1ist s GLU 129 CO 0.06 -0.23 1.29 0.08 -0.56 0.00 0.00 175.26 175.90 1ist s VAL 130 N -3.91 3.86 -0.33 3.70 1.01 0.65 -1.71 120.40 123.68 1ist s VAL 130 Ca 0.09 1.29 0.10 0.00 0.00 0.00 0.00 61.98 63.46 1ist s VAL 130 Cb 0.06 -3.83 -0.12 0.00 0.00 0.00 0.00 36.38 32.50 1ist s VAL 130 CO -0.08 0.05 0.35 1.33 0.00 0.00 0.00 175.10 176.75 1ist n VAL 131 N 4.30 0.00 -3.63 2.92 0.24 0.53 -4.91 118.33 117.78 1ist n VAL 131 Ca 0.11 -0.26 -0.14 0.00 -2.04 0.00 0.00 64.34 62.00 1ist n VAL 131 Cb 0.45 0.80 -0.07 0.00 -1.47 0.00 0.00 33.84 33.55 1ist n VAL 131 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1ist s ASP 132 N -2.23 -0.68 0.00 -1.34 3.68 -1.05 -4.96 116.67 110.09 1ist s ASP 132 Ca 0.02 1.22 0.00 0.00 2.13 0.00 0.00 52.55 55.91 1ist s ASP 132 Cb 0.07 1.21 0.00 0.00 -1.45 0.00 0.00 42.92 42.75 1ist s ASP 132 CO 0.40 -0.29 0.00 0.61 0.13 0.00 0.00 175.17 176.01 1ist n GLY 133 N 2.41 0.63 0.23 2.66 0.00 -1.26 -1.17 105.19 108.69 1ist n GLY 133 Ca -0.15 -0.76 0.07 0.00 0.00 0.00 0.00 46.02 45.19 1ist n GLY 133 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1ist h TYR 134 N 0.00 0.00 -0.21 1.61 3.20 -1.92 -0.88 116.97 118.77 1ist h TYR 134 Ca 0.00 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 1ist h TYR 134 Cb 0.75 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 1ist h TYR 134 CO 0.00 0.18 -0.00 0.38 -1.64 0.00 0.00 178.16 177.08 1ist h ASP 135 N 0.00 0.28 0.26 -2.11 2.03 -1.98 -0.92 116.42 113.98 1ist h ASP 135 Ca -0.00 -0.04 -0.14 0.00 -0.73 0.00 0.00 57.03 56.12 1ist h ASP 135 Cb 0.36 -0.07 -0.01 0.00 -0.83 0.00 0.00 39.33 38.77 1ist h ASP 135 CO 0.02 0.34 -0.55 0.40 -1.03 0.00 0.00 179.24 178.42 1ist h ILE 136 N 0.30 1.36 -0.70 4.15 5.03 -1.53 -1.31 117.51 124.81 1ist h ILE 136 Ca 0.07 -1.84 0.02 0.00 -0.12 0.00 0.00 64.86 62.98 1ist h ILE 136 Cb 0.21 1.88 -0.04 0.00 -3.03 0.00 0.00 36.82 35.84 1ist h ILE 136 CO 0.00 0.55 0.45 0.58 -0.68 0.00 0.00 178.15 179.06 1ist h VAL 137 N 0.24 1.14 -0.22 1.67 2.07 -1.10 -1.01 116.25 119.03 1ist h VAL 137 Ca 0.00 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.22 1ist h VAL 137 Cb 1.04 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1ist h VAL 137 CO 0.09 0.17 0.13 0.11 0.02 0.00 0.00 177.57 178.08 1ist h LYS 138 N 0.91 0.26 -0.59 1.57 1.79 -0.89 0.82 116.57 120.44 1ist h LYS 138 Ca 0.27 -0.02 0.06 0.00 -2.18 0.00 0.00 60.65 58.79 1ist h LYS 138 Cb -0.06 -0.06 -0.06 0.00 -1.58 0.00 0.00 32.23 30.48 1ist h LYS 138 CO -0.08 0.17 0.29 0.87 -1.08 0.00 0.00 179.45 179.62 1ist h LYS 139 N 0.27 0.52 -0.49 3.15 1.57 -1.04 -1.42 116.57 119.14 1ist h LYS 139 Ca 0.08 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1ist h LYS 139 Cb -0.01 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1ist h LYS 139 CO -0.04 0.35 0.11 0.28 -0.57 0.00 0.00 179.45 179.57 1ist h VAL 140 N 0.54 1.24 -0.95 0.50 2.07 -0.96 -2.75 116.25 115.94 1ist h VAL 140 Ca 0.28 -0.86 0.05 0.00 0.82 0.00 0.00 66.70 66.98 1ist h VAL 140 Cb 0.23 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 1ist h VAL 140 CO -0.21 0.31 0.61 -0.08 0.02 0.00 0.00 177.57 178.22 1ist h GLU 141 N 0.67 1.12 0.00 1.57 4.81 -0.52 -0.83 114.58 121.39 1ist h GLU 141 Ca 0.15 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1ist h GLU 141 Cb 0.35 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1ist h GLU 141 CO 0.00 0.74 0.00 -1.13 -0.73 0.00 0.00 179.01 177.89 1ist n SER 142 N -4.51 0.00 -1.05 1.04 3.41 -0.56 -2.02 113.62 109.92 1ist n SER 142 Ca 0.13 -0.49 0.12 0.00 -0.26 0.00 0.00 58.87 58.37 1ist n SER 142 Cb 0.14 -0.06 0.19 0.00 -0.26 0.00 0.00 64.21 64.22 1ist n SER 142 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ist n LEU 143 N -1.06 3.20 0.00 1.04 4.32 -0.32 -4.96 117.00 119.22 1ist n LEU 143 Ca 0.14 -1.27 0.00 0.00 -0.02 0.00 0.00 56.01 54.86 1ist n LEU 143 Cb 0.09 -0.15 0.00 0.00 -1.62 0.00 0.00 43.42 41.73 1ist n LEU 143 CO 0.12 0.64 0.00 0.61 -1.22 0.00 0.00 177.39 177.54 1ist n GLY 144 N 1.44 1.69 3.67 -0.72 0.00 -0.86 -1.23 105.19 109.18 1ist n GLY 144 Ca 0.17 -1.95 -0.07 0.00 0.00 0.00 0.00 46.02 44.18 1ist n GLY 144 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ist s SER 145 N -1.00 -0.30 0.38 1.61 1.04 -0.90 -4.73 113.70 109.81 1ist s SER 145 Ca 0.00 -0.29 0.14 0.00 0.48 0.00 0.00 55.95 56.28 1ist s SER 145 Cb 0.00 0.53 0.98 0.00 0.10 0.00 0.00 66.02 67.62 1ist s SER 145 CO 0.00 -0.93 1.82 -0.65 0.98 0.00 0.00 173.24 174.45 1ist h PRO 146 N 2.00 0.51 0.00 4.02 0.11 -1.90 -1.08 132.00 135.65 1ist h PRO 146 Ca -0.24 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1ist h PRO 146 Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1ist h PRO 146 CO 0.28 0.34 0.00 -1.13 -0.21 0.00 0.00 178.00 177.28 1ist n SER 147 N -4.60 0.00 0.00 -2.05 3.41 -1.26 -4.94 113.62 104.18 1ist n SER 147 Ca 0.22 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 1ist n SER 147 Cb 0.69 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1ist n SER 147 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ist n GLY 148 N 0.87 2.64 3.77 5.00 0.00 -0.41 -5.00 105.19 112.06 1ist n GLY 148 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1ist n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ist s ALA 149 N -2.20 3.56 -0.03 4.61 0.00 -1.26 -2.49 121.76 123.94 1ist s ALA 149 Ca 0.00 1.38 -0.10 0.00 0.00 0.00 0.00 51.96 53.24 1ist s ALA 149 Cb 0.00 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 1ist s ALA 149 CO 0.00 -0.80 0.28 0.95 0.00 0.00 0.00 175.76 176.19 1ist s THR 150 N -0.80 5.26 -1.29 0.00 -4.23 -1.26 -3.03 115.64 110.30 1ist s THR 150 Ca 0.53 0.43 0.29 0.00 -1.18 0.00 0.00 61.69 61.76 1ist s THR 150 Cb -0.43 -3.56 0.39 0.00 1.34 0.00 0.00 72.50 70.24 1ist s THR 150 CO 0.53 0.52 1.95 0.29 -0.54 0.00 0.00 174.62 177.37 1ist n LYS 151 N 1.63 0.29 -3.98 3.99 5.02 -0.37 -4.86 118.16 119.89 1ist n LYS 151 Ca -0.15 -0.03 -0.09 0.00 -2.02 0.00 0.00 58.31 56.01 1ist n LYS 151 Cb 0.53 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.97 1ist n LYS 151 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ist s ALA 152 N -2.73 0.10 -0.58 7.82 0.00 -1.26 -5.08 121.76 120.02 1ist s ALA 152 Ca 0.23 -0.94 -0.21 0.00 0.00 0.00 0.00 51.96 51.03 1ist s ALA 152 Cb 0.20 0.83 0.07 0.00 0.00 0.00 0.00 23.12 24.21 1ist s ALA 152 CO 0.50 -0.61 0.83 0.50 0.00 0.00 0.00 175.76 176.97 1ist s ARG 153 N -3.97 3.16 -0.35 0.00 6.06 -1.26 -4.86 118.95 117.72 1ist s ARG 153 Ca 0.17 -0.79 -0.14 0.00 -2.50 0.00 0.00 55.73 52.47 1ist s ARG 153 Cb 0.04 -4.16 -0.01 0.00 0.06 0.00 0.00 34.95 30.88 1ist s ARG 153 CO -0.01 -1.53 0.29 0.42 -2.50 0.00 0.00 175.30 171.97 1ist s ILE 154 N 3.43 5.24 0.07 4.11 1.01 -1.26 -0.20 121.20 133.61 1ist s ILE 154 Ca 0.20 -0.18 0.09 0.00 0.00 0.00 0.00 60.65 60.77 1ist s ILE 154 Cb -0.18 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.48 1ist s ILE 154 CO 0.12 -0.08 -0.25 -0.69 0.00 0.00 0.00 174.94 174.05 1ist s VAL 155 N 1.82 2.34 -1.03 2.92 1.01 -0.29 -0.82 120.40 126.35 1ist s VAL 155 Ca 0.08 -1.47 -0.19 0.00 0.00 0.00 0.00 61.98 60.39 1ist s VAL 155 Cb -0.17 -1.97 0.10 0.00 0.00 0.00 0.00 36.38 34.34 1ist s VAL 155 CO 0.11 0.26 1.33 -0.69 0.00 0.00 0.00 175.10 176.11 1ist s VAL 156 N -0.92 4.44 0.30 2.92 1.01 -0.23 -1.18 120.40 126.74 1ist s VAL 156 Ca 0.13 -1.46 0.07 0.00 0.00 0.00 0.00 61.98 60.72 1ist s VAL 156 Cb -0.10 -4.93 0.04 0.00 0.00 0.00 0.00 36.38 31.40 1ist s VAL 156 CO 0.04 -1.71 1.71 0.00 0.00 0.00 0.00 175.10 175.14 1ist h ALA 157 N 8.84 1.13 -2.85 5.51 0.00 -1.06 0.33 119.26 131.16 1ist h ALA 157 Ca 0.22 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 1ist h ALA 157 Cb 0.99 -0.09 -0.24 0.00 0.00 0.00 0.00 17.79 18.45 1ist h ALA 157 CO 1.26 0.58 -0.30 0.21 0.00 0.00 0.00 179.25 181.00 1ist s LYS 158 N -4.18 0.43 0.07 0.00 2.47 -1.21 -4.19 119.74 113.14 1ist s LYS 158 Ca -0.05 0.43 0.02 0.00 -1.56 0.00 0.00 55.97 54.81 1ist s LYS 158 Cb 0.13 0.21 -0.03 0.00 -1.46 0.00 0.00 37.83 36.68 1ist s LYS 158 CO 0.77 -0.06 -0.07 -1.54 0.16 0.00 0.00 175.35 174.61 1ist s SER 159 N 0.06 0.98 0.00 1.43 1.04 -1.26 -0.43 113.70 115.52 1ist s SER 159 Ca -0.01 -0.80 -0.00 0.00 0.48 0.00 0.00 55.95 55.62 1ist s SER 159 Cb -0.03 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.17 1ist s SER 159 CO 0.01 -0.35 0.02 0.61 0.98 0.00 0.00 173.24 174.51 1ist n GLY 160 N 0.65 1.25 3.41 7.32 0.00 -0.50 -4.60 105.19 112.71 1ist n GLY 160 Ca -0.17 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.60 1ist n GLY 160 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ist s GLU 161 N -2.00 2.83 0.00 1.61 2.12 -1.26 -0.84 118.70 121.16 1ist s GLU 161 Ca 0.00 -0.72 0.26 0.00 0.36 0.00 0.00 54.97 54.87 1ist s GLU 161 Cb -0.00 -2.44 1.55 0.00 0.26 0.00 0.00 34.13 33.50 1ist s GLU 161 CO 0.00 0.44 1.90 1.28 -0.54 0.00 0.00 175.26 178.35