#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8i s ARG 3 N 0.00 3.36 -0.07 0.00 3.52 -1.26 -4.79 118.95 119.71 3i8i s ARG 3 Ca 0.00 0.04 -0.03 0.00 -0.13 0.00 0.00 55.73 55.62 3i8i s ARG 3 Cb 0.00 -2.39 0.01 0.00 -1.56 0.00 0.00 34.95 31.01 3i8i s ARG 3 CO 0.00 -0.29 0.06 -0.11 -0.81 0.00 0.00 175.30 174.15 3i8i n LEU 4 N -2.27 -5.07 -4.37 -0.88 7.94 -1.26 -4.84 117.00 106.24 3i8i n LEU 4 Ca 0.01 1.21 -0.39 0.00 -1.11 0.00 0.00 56.01 55.73 3i8i n LEU 4 Cb 0.56 -2.09 0.02 0.00 0.53 0.00 0.00 43.42 42.44 3i8i n LEU 4 CO 0.52 -2.89 -0.24 0.35 -1.11 0.00 0.00 177.39 174.02 3i8i n THR 5 N 1.99 1.24 0.19 1.96 -2.24 -1.26 -4.75 114.28 111.41 3i8i n THR 5 Ca -0.10 -0.50 0.11 0.00 -2.27 0.00 0.00 64.05 61.29 3i8i n THR 5 Cb 0.24 -0.36 0.59 0.00 -2.10 0.00 0.00 70.33 68.70 3i8i n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i8i n ALA 6 N -1.49 1.11 -0.22 6.98 0.00 -1.26 -2.65 120.51 122.98 3i8i n ALA 6 Ca 0.10 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3i8i n ALA 6 Cb 0.46 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3i8i n ALA 6 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3i8i n TYR 7 N -2.27 0.00 -0.33 0.00 4.19 -1.26 -4.00 117.16 113.48 3i8i n TYR 7 Ca -0.01 0.00 0.32 0.00 3.31 0.00 0.00 57.90 61.52 3i8i n TYR 7 Cb 0.06 -0.39 0.59 0.00 0.49 0.00 0.00 39.34 40.08 3i8i n TYR 7 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 3i8i h GLU 8 N 0.00 0.03 -0.50 2.98 5.08 -1.82 0.81 114.58 121.16 3i8i h GLU 8 Ca 0.00 -0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 3i8i h GLU 8 Cb 0.00 -0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.15 3i8i h GLU 8 CO 0.00 0.02 -0.14 0.00 -1.00 0.00 0.00 179.01 177.89 3i8i h ARG 9 N 0.03 -0.02 0.29 2.33 3.08 -1.66 -2.54 114.38 115.88 3i8i h ARG 9 Ca 0.84 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.88 3i8i h ARG 9 Cb 2.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.30 3i8i h ARG 9 CO -0.73 -0.01 -0.14 0.00 -1.07 0.00 0.00 179.97 178.02 3i8i h ARG 10 N -0.02 -0.37 -5.01 0.04 3.08 -0.97 0.38 114.38 111.50 3i8i h ARG 10 Ca 0.24 0.03 -0.41 0.00 0.07 0.00 0.00 59.98 59.91 3i8i h ARG 10 Cb 0.39 0.08 0.10 0.00 0.08 0.00 0.00 29.97 30.63 3i8i h ARG 10 CO -0.53 -0.25 1.04 1.17 -1.07 0.00 0.00 179.97 180.33 3i8i n LYS 11 N -3.05 0.01 0.00 0.04 4.81 -0.96 0.11 118.16 119.13 3i8i n LYS 11 Ca -0.05 -0.96 0.00 0.00 -0.87 0.00 0.00 58.31 56.43 3i8i n LYS 11 Cb 0.15 -2.50 0.00 0.00 0.02 0.00 0.00 35.03 32.70 3i8i n LYS 11 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 3i8i n PHE 12 N 9.95 0.00 -0.65 5.64 0.99 -1.22 -4.81 117.46 127.36 3i8i n PHE 12 Ca 0.39 0.00 -0.17 0.00 -0.00 0.00 0.00 57.45 57.66 3i8i n PHE 12 Cb 0.41 0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 38.86 3i8i n PHE 12 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 3i8i n ARG 13 N 0.00 1.76 0.00 -1.08 0.00 0.30 0.18 116.66 117.81 3i8i n ARG 13 Ca 0.00 -1.20 0.00 0.00 -0.00 0.00 0.00 57.85 56.65 3i8i n ARG 13 Cb 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 32.46 30.18 3i8i n ARG 13 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 3i8i n VAL 14 N 3.92 0.00 -0.03 5.15 3.14 -1.20 -4.82 118.33 124.48 3i8i n VAL 14 Ca 0.37 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.63 3i8i n VAL 14 Cb 0.20 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 32.90 3i8i n VAL 14 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 3i8i h ARG 15 N 0.00 0.17 -0.48 1.45 9.65 -1.23 1.03 114.38 124.97 3i8i h ARG 15 Ca 0.00 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 58.78 3i8i h ARG 15 Cb 0.00 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.55 3i8i h ARG 15 CO 0.00 0.53 0.21 -0.91 2.80 0.00 0.00 179.97 182.60 3i8i h ASN 16 N -0.21 0.65 -0.33 -3.80 2.35 0.15 0.65 115.58 115.05 3i8i h ASN 16 Ca 0.02 -0.15 -0.04 0.00 -0.55 0.00 0.00 56.30 55.58 3i8i h ASN 16 Cb 0.48 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 3i8i h ASN 16 CO 0.01 0.63 0.07 -0.09 -1.65 0.00 0.00 177.43 176.40 3i8i h ARG 17 N 0.63 0.54 -0.62 0.81 9.65 -1.62 -2.99 114.38 120.78 3i8i h ARG 17 Ca 0.16 -0.14 -0.05 0.00 -1.10 0.00 0.00 59.98 58.85 3i8i h ARG 17 Cb 0.17 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.65 3i8i h ARG 17 CO -0.02 0.61 0.17 0.82 2.80 0.00 0.00 179.97 184.35 3i8i h ILE 18 N 0.38 1.24 0.00 1.20 2.04 0.14 -3.39 117.51 119.11 3i8i h ILE 18 Ca 0.10 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.11 3i8i h ILE 18 Cb 0.32 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 3i8i h ILE 18 CO 0.00 0.32 0.00 0.29 0.00 0.00 0.00 178.15 178.77 3i8i n LYS 19 N -4.27 2.55 0.00 2.37 4.01 0.20 -3.78 118.16 119.25 3i8i n LYS 19 Ca 0.05 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.85 3i8i n LYS 19 Cb 0.23 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.75 3i8i n LYS 19 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 3i8i n ARG 20 N 0.00 0.00 0.00 1.97 0.00 -1.25 -4.11 116.66 113.27 3i8i n ARG 20 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3i8i n ARG 20 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3i8i n ARG 20 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 3i8i n THR 21 N 0.00 0.00 0.00 5.15 -2.24 -1.25 -4.80 114.28 111.14 3i8i n THR 21 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3i8i n THR 21 Cb 0.00 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 67.55 3i8i n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i8i n GLY 22 N -0.67 2.26 2.16 3.38 0.00 -1.26 -5.01 105.19 106.05 3i8i n GLY 22 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 3i8i n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8i n ARG 23 N -1.75 -2.90 -3.09 1.61 1.74 -1.26 -4.99 116.66 106.01 3i8i n ARG 23 Ca 0.00 -1.05 -0.39 0.00 -0.77 0.00 0.00 57.85 55.64 3i8i n ARG 23 Cb 0.00 -1.10 -0.05 0.00 -1.02 0.00 0.00 32.46 30.29 3i8i n ARG 23 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3i8i s LEU 24 N 0.00 4.29 -0.03 0.55 2.01 -1.26 -4.73 118.68 119.51 3i8i s LEU 24 Ca 0.44 1.10 -0.25 0.00 0.01 0.00 0.00 54.13 55.43 3i8i s LEU 24 Cb -0.06 -3.01 -0.04 0.00 0.01 0.00 0.00 46.19 43.10 3i8i s LEU 24 CO 0.35 -0.12 0.77 -0.60 1.01 0.00 0.00 176.35 177.77 3i8i s ARG 25 N 0.91 4.47 -1.05 1.70 3.52 0.16 -0.47 118.95 128.18 3i8i s ARG 25 Ca 0.35 1.03 -0.09 0.00 -0.13 0.00 0.00 55.73 56.89 3i8i s ARG 25 Cb -0.17 -3.43 0.26 0.00 -1.56 0.00 0.00 34.95 30.05 3i8i s ARG 25 CO 0.16 0.08 1.03 -1.17 -0.81 0.00 0.00 175.30 174.59 3i8i s LEU 26 N 0.69 6.28 -0.10 -0.88 0.20 -1.26 0.93 118.68 124.55 3i8i s LEU 26 Ca 0.41 -3.52 -0.30 0.00 0.69 0.00 0.00 54.13 51.41 3i8i s LEU 26 Cb -0.19 -2.17 -0.02 0.00 -0.43 0.00 0.00 46.19 43.38 3i8i s LEU 26 CO 0.21 -0.30 1.18 -0.44 -0.29 0.00 0.00 176.35 176.71 3i8i s SER 27 N 1.21 7.05 -0.18 3.68 0.01 0.09 -0.12 113.70 125.45 3i8i s SER 27 Ca 0.29 1.73 -0.03 0.00 1.31 0.00 0.00 55.95 59.25 3i8i s SER 27 Cb -0.10 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.56 3i8i s SER 27 CO -0.09 -0.61 -0.06 -0.69 0.41 0.00 0.00 173.24 172.20 3i8i s VAL 28 N 2.54 3.49 -0.20 3.43 1.01 -1.26 -1.73 120.40 127.69 3i8i s VAL 28 Ca 0.54 -0.48 -0.05 0.00 0.00 0.00 0.00 61.98 61.99 3i8i s VAL 28 Cb -0.23 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 3i8i s VAL 28 CO 0.19 0.47 0.01 0.12 0.00 0.00 0.00 175.10 175.89 3i8i s PHE 29 N 0.86 3.07 -0.27 5.22 5.99 0.89 -4.57 117.98 129.17 3i8i s PHE 29 Ca -0.01 -0.35 -0.03 0.00 0.00 0.00 0.00 56.93 56.54 3i8i s PHE 29 Cb -0.15 -2.08 0.02 0.00 0.00 0.00 0.00 43.02 40.82 3i8i s PHE 29 CO 0.01 -0.16 -0.01 0.50 -0.00 0.00 0.00 175.22 175.56 3i8i s ARG 30 N 0.88 2.84 0.47 10.12 3.52 -1.26 0.14 118.95 135.66 3i8i s ARG 30 Ca 0.01 -0.99 0.08 0.00 -0.13 0.00 0.00 55.73 54.70 3i8i s ARG 30 Cb -0.14 -3.14 0.03 0.00 -1.56 0.00 0.00 34.95 30.13 3i8i s ARG 30 CO 0.02 -0.45 0.58 -1.54 -0.81 0.00 0.00 175.30 173.09 3i8i s SER 31 N 1.37 5.28 0.17 -2.12 1.04 0.03 -4.98 113.70 114.49 3i8i s SER 31 Ca -0.00 -0.69 -0.13 0.00 0.48 0.00 0.00 55.95 55.61 3i8i s SER 31 Cb -0.17 -0.27 0.07 0.00 0.10 0.00 0.00 66.02 65.75 3i8i s SER 31 CO -0.02 -0.93 1.80 -0.07 0.98 0.00 0.00 173.24 175.00 3i8i h LEU 32 N 0.60 0.68 0.00 2.42 3.38 -2.04 -3.26 115.31 117.09 3i8i h LEU 32 Ca -0.37 -0.07 -0.32 0.00 0.09 0.00 0.00 57.88 57.21 3i8i h LEU 32 Cb 1.28 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.80 3i8i h LEU 32 CO 0.48 0.55 -1.97 0.29 0.09 0.00 0.00 178.44 177.88 3i8i n LYS 33 N -4.64 0.65 -1.29 1.13 5.02 -1.26 -5.03 118.16 112.74 3i8i n LYS 33 Ca 0.03 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 3i8i n LYS 33 Cb 0.07 -1.69 0.00 0.00 -0.02 0.00 0.00 35.03 33.39 3i8i n LYS 33 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3i8i n HIS 34 N -2.92 0.00 -3.64 2.13 8.25 -1.23 -5.02 115.22 112.79 3i8i n HIS 34 Ca -0.23 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.08 3i8i n HIS 34 Cb 1.09 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 32.12 3i8i n HIS 34 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3i8i s ILE 35 N -0.92 0.01 -0.01 1.59 2.07 -1.26 -0.79 121.20 121.88 3i8i s ILE 35 Ca 0.00 -0.09 0.01 0.00 -1.41 0.00 0.00 60.65 59.16 3i8i s ILE 35 Cb 0.00 -0.84 0.01 0.00 0.13 0.00 0.00 42.46 41.75 3i8i s ILE 35 CO 0.00 -0.05 -0.04 -0.31 -1.91 0.00 0.00 174.94 172.63 3i8i s TYR 36 N -0.54 0.47 0.16 3.50 1.51 0.37 -2.51 117.35 120.31 3i8i s TYR 36 Ca -0.07 -0.09 0.07 0.00 -1.01 0.00 0.00 57.07 55.98 3i8i s TYR 36 Cb -0.03 -0.36 -0.04 0.00 -0.11 0.00 0.00 41.96 41.42 3i8i s TYR 36 CO 0.05 -0.05 -0.03 0.00 -1.11 0.00 0.00 175.55 174.40 3i8i s ALA 37 N 0.22 3.13 -0.30 3.71 0.00 -0.74 -0.08 121.76 127.70 3i8i s ALA 37 Ca -0.02 -1.35 -0.06 0.00 0.00 0.00 0.00 51.96 50.52 3i8i s ALA 37 Cb -0.06 -0.95 0.17 0.00 0.00 0.00 0.00 23.12 22.28 3i8i s ALA 37 CO -0.00 0.51 0.69 -1.14 0.00 0.00 0.00 175.76 175.83 3i8i s GLN 38 N -2.79 0.51 -0.87 0.00 0.74 -0.70 -2.64 119.66 113.91 3i8i s GLN 38 Ca 0.26 1.05 -0.22 0.00 0.05 0.00 0.00 55.36 56.50 3i8i s GLN 38 Cb -0.10 0.60 0.08 0.00 1.10 0.00 0.00 33.01 34.70 3i8i s GLN 38 CO 0.17 -0.41 1.20 0.42 -0.55 0.00 0.00 175.29 176.12 3i8i s ILE 39 N 2.85 4.27 -0.05 -2.34 -1.09 -0.04 -0.73 121.20 124.08 3i8i s ILE 39 Ca 0.09 -0.80 -0.07 0.00 -2.23 0.00 0.00 60.65 57.64 3i8i s ILE 39 Cb -0.13 -4.86 -0.04 0.00 -1.58 0.00 0.00 42.46 35.85 3i8i s ILE 39 CO -0.19 -1.67 0.21 -0.63 -1.23 0.00 0.00 174.94 171.44 3i8i s ILE 40 N 4.06 5.39 -0.15 2.92 1.01 0.27 -1.63 121.20 133.07 3i8i s ILE 40 Ca 0.34 0.17 -0.00 0.00 0.00 0.00 0.00 60.65 61.15 3i8i s ILE 40 Cb -0.07 -3.51 -0.01 0.00 0.01 0.00 0.00 42.46 38.89 3i8i s ILE 40 CO -0.02 0.47 -0.13 -0.62 0.00 0.00 0.00 174.94 174.64 3i8i s ASP 41 N -1.45 3.92 0.44 3.58 2.15 0.57 0.36 116.67 126.25 3i8i s ASP 41 Ca 0.22 -0.39 0.00 0.00 0.43 0.00 0.00 52.55 52.82 3i8i s ASP 41 Cb -0.13 -1.61 0.00 0.00 -0.30 0.00 0.00 42.92 40.88 3i8i s ASP 41 CO 0.12 0.11 0.00 0.47 -0.17 0.00 0.00 175.17 175.70 3i8i n ASP 42 N 3.88 0.00 0.00 -0.34 9.92 -1.26 -0.89 116.55 127.86 3i8i n ASP 42 Ca -0.18 -0.98 0.00 0.00 -0.53 0.00 0.00 54.79 53.09 3i8i n ASP 42 Cb 0.52 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.00 3i8i n ASP 42 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3i8i n GLU 43 N -0.98 0.00 0.05 -1.24 1.02 -1.26 -3.58 120.64 114.65 3i8i n GLU 43 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 3i8i n GLU 43 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.29 3i8i n GLU 43 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3i8i h LYS 44 N 0.00 0.12 -4.49 3.49 1.63 -2.03 -3.48 116.57 111.81 3i8i h LYS 44 Ca 0.00 -0.20 -0.17 0.00 -0.85 0.00 0.00 60.65 59.43 3i8i h LYS 44 Cb 0.00 0.07 0.12 0.00 -0.60 0.00 0.00 32.23 31.83 3i8i h LYS 44 CO 0.00 0.98 -0.53 0.41 -3.45 0.00 0.00 179.45 176.86 3i8i n GLY 45 N 1.51 -0.32 3.19 5.01 0.00 -0.74 -5.06 105.19 108.80 3i8i n GLY 45 Ca -0.09 0.17 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 3i8i n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i8i s VAL 46 N -3.24 0.14 -0.14 1.61 1.01 -0.07 -5.01 120.40 114.71 3i8i s VAL 46 Ca 0.22 -1.19 -0.06 0.00 0.00 0.00 0.00 61.98 60.95 3i8i s VAL 46 Cb -0.03 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 3i8i s VAL 46 CO 0.47 -0.66 0.09 -0.89 0.00 0.00 0.00 175.10 174.10 3i8i s THR 47 N -3.70 5.03 -0.22 3.92 2.01 -1.26 -0.31 115.64 121.11 3i8i s THR 47 Ca 0.04 0.04 -0.07 0.00 0.31 0.00 0.00 61.69 62.01 3i8i s THR 47 Cb 0.04 -3.21 -0.11 0.00 0.01 0.00 0.00 72.50 69.24 3i8i s THR 47 CO -0.10 0.56 -0.25 0.18 -0.69 0.00 0.00 174.62 174.32 3i8i n LEU 48 N 2.59 2.06 -3.90 4.42 4.32 -0.65 -4.98 117.00 120.86 3i8i n LEU 48 Ca -0.18 0.13 -0.18 0.00 -0.02 0.00 0.00 56.01 55.76 3i8i n LEU 48 Cb 0.54 -0.68 -0.16 0.00 -1.62 0.00 0.00 43.42 41.51 3i8i n LEU 48 CO 0.32 0.60 -0.40 -0.69 -1.22 0.00 0.00 177.39 176.00 3i8i s VAL 49 N -2.41 0.42 0.22 4.08 1.01 -1.25 -5.02 120.40 117.46 3i8i s VAL 49 Ca -0.30 -0.12 0.09 0.00 0.00 0.00 0.00 61.98 61.65 3i8i s VAL 49 Cb 0.10 -0.42 -0.05 0.00 0.00 0.00 0.00 36.38 36.01 3i8i s VAL 49 CO 0.42 0.17 -0.16 -0.94 0.00 0.00 0.00 175.10 174.59 3i8i s SER 50 N 0.53 2.86 -0.34 3.32 1.04 -1.26 -0.86 113.70 118.98 3i8i s SER 50 Ca -0.06 -1.02 0.05 0.00 0.48 0.00 0.00 55.95 55.39 3i8i s SER 50 Cb -0.10 -0.18 0.19 0.00 0.10 0.00 0.00 66.02 66.03 3i8i s SER 50 CO -0.00 -0.11 0.67 0.00 0.98 0.00 0.00 173.24 174.78 3i8i s ALA 51 N -2.82 -2.64 0.74 5.32 0.00 -1.08 -4.80 121.76 116.48 3i8i s ALA 51 Ca 0.24 0.76 -0.03 0.00 0.00 0.00 0.00 51.96 52.93 3i8i s ALA 51 Cb -0.02 -2.67 0.12 0.00 0.00 0.00 0.00 23.12 20.55 3i8i s ALA 51 CO 0.09 -2.05 0.81 0.43 0.00 0.00 0.00 175.76 175.04 3i8i n SER 52 N 4.89 0.75 -0.09 0.00 7.64 -1.26 -1.79 113.62 123.76 3i8i n SER 52 Ca 0.08 -1.71 -0.14 0.00 1.01 0.00 0.00 58.87 58.11 3i8i n SER 52 Cb 0.56 -0.55 -0.08 0.00 -1.01 0.00 0.00 64.21 63.13 3i8i n SER 52 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3i8i n SER 53 N -3.12 2.37 -0.21 6.43 2.88 -1.04 -4.37 113.62 116.56 3i8i n SER 53 Ca 0.12 -0.04 -0.08 0.00 -1.33 0.00 0.00 58.87 57.55 3i8i n SER 53 Cb 0.43 -0.34 0.03 0.00 -0.75 0.00 0.00 64.21 63.58 3i8i n SER 53 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3i8i h LEU 54 N -0.13 0.81 0.00 2.46 7.12 -1.93 -2.77 115.31 120.87 3i8i h LEU 54 Ca -0.42 -0.17 0.00 0.00 0.13 0.00 0.00 57.88 57.42 3i8i h LEU 54 Cb 1.59 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 41.51 3i8i h LEU 54 CO -0.11 0.77 0.00 0.00 -0.13 0.00 0.00 178.44 178.97 3i8i n ALA 55 N -2.37 2.05 -2.68 1.25 0.00 -1.26 -2.63 120.51 114.87 3i8i n ALA 55 Ca 0.03 -0.05 -0.03 0.00 0.00 0.00 0.00 53.44 53.39 3i8i n ALA 55 Cb 0.17 -1.13 0.13 0.00 0.00 0.00 0.00 19.45 18.61 3i8i n ALA 55 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3i8i n LEU 56 N -0.76 -1.56 0.00 0.00 -0.00 -1.16 -4.90 117.00 108.63 3i8i n LEU 56 Ca 0.06 -3.28 0.00 0.00 -0.00 0.00 0.00 56.01 52.80 3i8i n LEU 56 Cb 0.03 0.08 0.00 0.00 -0.00 0.00 0.00 43.42 43.52 3i8i n LEU 56 CO 0.05 1.76 0.00 0.29 -0.00 0.00 0.00 177.39 179.49 3i8i n LYS 57 N -1.33 0.00 -4.27 1.47 5.02 -1.06 -4.92 118.16 113.07 3i8i n LYS 57 Ca -0.14 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 55.99 3i8i n LYS 57 Cb 0.87 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.78 3i8i n LYS 57 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 3i8i s LEU 58 N 0.00 1.46 0.00 -0.35 2.34 -1.25 -5.09 118.68 115.80 3i8i s LEU 58 Ca 0.00 -1.44 0.00 0.00 0.06 0.00 0.00 54.13 52.75 3i8i s LEU 58 Cb 0.00 0.22 0.00 0.00 -0.56 0.00 0.00 46.19 45.85 3i8i s LEU 58 CO 0.00 -0.82 0.00 1.17 -1.06 0.00 0.00 176.35 175.64 3i8i n LYS 59 N -0.42 0.00 0.00 1.48 4.81 -1.26 -4.96 118.16 117.80 3i8i n LYS 59 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 3i8i n LYS 59 Cb 0.66 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.71 3i8i n LYS 59 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i8i n GLY 60 N 0.00 0.81 0.00 3.14 0.00 -1.26 -4.81 105.19 103.07 3i8i n GLY 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i8i n GLY 60 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i8i n ASN 61 N 0.00 0.00 -0.16 1.61 2.85 -1.26 -4.98 115.26 113.32 3i8i n ASN 61 Ca 0.00 0.00 -0.09 0.00 -0.11 0.00 0.00 54.58 54.38 3i8i n ASN 61 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 3i8i n ASN 61 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 3i8i h LYS 62 N 0.00 0.72 0.02 1.20 1.57 -1.95 -2.56 116.57 115.57 3i8i h LYS 62 Ca 0.00 -0.16 -0.21 0.00 -1.87 0.00 0.00 60.65 58.41 3i8i h LYS 62 Cb 0.00 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3i8i h LYS 62 CO 0.00 0.69 -0.95 1.79 -0.57 0.00 0.00 179.45 180.40 3i8i h THR 63 N 0.61 1.51 -0.07 -0.16 1.35 -1.96 -1.89 112.91 112.30 3i8i h THR 63 Ca 0.15 -2.76 -0.03 0.00 -0.55 0.00 0.00 66.41 63.22 3i8i h THR 63 Cb 0.27 2.58 -0.00 0.00 -1.73 0.00 0.00 68.15 69.27 3i8i h THR 63 CO -0.00 0.80 -0.08 -0.33 -0.25 0.00 0.00 175.52 175.66 3i8i h GLU 64 N 0.10 0.18 -0.21 4.72 5.08 -1.94 -2.06 114.58 120.46 3i8i h GLU 64 Ca -0.06 -0.10 0.05 0.00 -1.00 0.00 0.00 59.36 58.26 3i8i h GLU 64 Cb 1.61 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.81 3i8i h GLU 64 CO 0.15 0.63 -0.17 0.28 -1.00 0.00 0.00 179.01 178.89 3i8i h VAL 65 N -0.25 0.53 -0.57 3.13 2.07 -1.53 -1.68 116.25 117.94 3i8i h VAL 65 Ca 0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.59 3i8i h VAL 65 Cb 0.60 0.53 -0.08 0.00 -1.52 0.00 0.00 31.29 30.81 3i8i h VAL 65 CO 0.02 0.00 -0.48 0.00 0.02 0.00 0.00 177.57 177.13 3i8i h ALA 66 N 0.93 -0.60 -0.45 1.67 0.00 -1.20 0.24 119.26 119.86 3i8i h ALA 66 Ca 0.12 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.17 3i8i h ALA 66 Cb 0.36 1.18 -0.09 0.00 0.00 0.00 0.00 17.79 19.24 3i8i h ALA 66 CO -0.31 -0.88 -0.20 -0.09 0.00 0.00 0.00 179.25 177.76 3i8i h ARG 67 N -0.18 -0.11 0.04 0.00 2.43 -0.84 -0.60 114.38 115.11 3i8i h ARG 67 Ca 0.10 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.30 3i8i h ARG 67 Cb 0.43 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.96 3i8i h ARG 67 CO -0.64 -0.07 -0.35 1.96 -1.51 0.00 0.00 179.97 179.36 3i8i h GLN 68 N -0.11 -0.51 -0.34 0.20 4.20 -0.04 0.38 115.11 118.88 3i8i h GLN 68 Ca 0.21 0.03 0.10 0.00 0.06 0.00 0.00 58.65 59.06 3i8i h GLN 68 Cb 0.44 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 3i8i h GLN 68 CO -0.52 -0.34 0.40 -0.24 -0.67 0.00 0.00 178.83 177.46 3i8i h VAL 69 N -0.52 0.36 0.46 -0.54 3.04 0.12 0.25 116.25 119.42 3i8i h VAL 69 Ca 0.05 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.72 3i8i h VAL 69 Cb 0.59 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 3i8i h VAL 69 CO -0.26 0.00 -0.22 1.23 -1.01 0.00 0.00 177.57 177.31 3i8i h GLY 70 N 0.00 -0.65 0.50 3.17 0.00 0.12 -2.08 103.07 104.13 3i8i h GLY 70 Ca 0.16 0.24 0.16 0.00 0.00 0.00 0.00 47.33 47.89 3i8i h GLY 70 CO -0.00 -0.23 0.56 3.21 0.00 0.00 0.00 176.54 180.07 3i8i h ARG 71 N -1.13 0.53 0.25 4.80 3.08 0.18 0.45 114.38 122.53 3i8i h ARG 71 Ca -0.06 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3i8i h ARG 71 Cb 0.47 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 3i8i h ARG 71 CO 0.10 0.35 -0.15 0.00 -1.07 0.00 0.00 179.97 179.21 3i8i h ALA 72 N 1.62 -0.37 -0.60 0.04 0.00 -0.65 -1.76 119.26 117.54 3i8i h ALA 72 Ca 0.44 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.37 3i8i h ALA 72 Cb 0.87 0.18 -0.11 0.00 0.00 0.00 0.00 17.79 18.73 3i8i h ALA 72 CO -0.18 -0.72 -0.37 1.25 0.00 0.00 0.00 179.25 179.23 3i8i h LEU 73 N -0.38 -1.29 -0.11 0.00 7.12 0.58 -1.86 115.31 119.36 3i8i h LEU 73 Ca -0.03 0.24 0.02 0.00 0.13 0.00 0.00 57.88 58.24 3i8i h LEU 73 Cb 0.31 0.62 -0.05 0.00 -0.53 0.00 0.00 40.66 41.01 3i8i h LEU 73 CO 0.03 -0.32 -0.39 0.00 -0.13 0.00 0.00 178.44 177.64 3i8i h ALA 74 N 0.87 -0.76 -0.99 1.25 0.00 -0.75 -1.49 119.26 117.39 3i8i h ALA 74 Ca 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3i8i h ALA 74 Cb 0.56 0.90 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3i8i h ALA 74 CO -0.69 -0.90 0.00 0.39 0.00 0.00 0.00 179.25 178.05 3i8i n GLU 75 N -4.61 0.00 -0.28 0.00 1.02 -0.71 -0.44 120.64 115.62 3i8i n GLU 75 Ca -0.04 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.67 3i8i n GLU 75 Cb 0.27 -0.94 0.07 0.00 -0.02 0.00 0.00 31.44 30.82 3i8i n GLU 75 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3i8i h LYS 76 N 0.00 -0.04 0.47 3.49 1.57 -1.33 -1.92 116.57 118.81 3i8i h LYS 76 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3i8i h LYS 76 Cb 0.00 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3i8i h LYS 76 CO 0.00 -0.03 -0.38 0.00 -0.57 0.00 0.00 179.45 178.48 3i8i h ALA 77 N 1.55 -0.87 -0.47 3.86 0.00 -0.04 -2.90 119.26 120.40 3i8i h ALA 77 Ca 0.35 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.18 3i8i h ALA 77 Cb 0.59 0.51 -0.10 0.00 0.00 0.00 0.00 17.79 18.79 3i8i h ALA 77 CO -0.83 -1.02 -0.42 -0.07 0.00 0.00 0.00 179.25 176.91 3i8i h LEU 78 N -0.84 -1.42 -1.07 0.00 3.38 -0.02 -0.27 115.31 115.08 3i8i h LEU 78 Ca -0.05 0.22 0.31 0.00 0.09 0.00 0.00 57.88 58.46 3i8i h LEU 78 Cb 0.72 0.63 -0.14 0.00 0.09 0.00 0.00 40.66 41.97 3i8i h LEU 78 CO -0.01 -0.35 0.61 0.00 0.09 0.00 0.00 178.44 178.77 3i8i h ALA 79 N 0.52 2.00 0.00 1.53 0.00 -1.28 0.93 119.26 122.96 3i8i h ALA 79 Ca 0.16 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3i8i h ALA 79 Cb 0.57 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3i8i h ALA 79 CO -0.61 -0.56 0.00 1.28 0.00 0.00 0.00 179.25 179.36 3i8i n LEU 80 N -4.95 0.00 0.00 0.00 4.77 -0.14 -4.89 117.00 111.79 3i8i n LEU 80 Ca 0.30 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 3i8i n LEU 80 Cb 0.95 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 3i8i n LEU 80 CO 0.13 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 3i8i n GLY 81 N 1.19 2.45 2.67 -0.72 0.00 0.32 -5.07 105.19 106.03 3i8i n GLY 81 Ca 0.14 -0.66 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 3i8i n GLY 81 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i8i n ILE 82 N 0.00 1.51 0.00 -0.61 2.08 -1.06 -4.85 119.36 116.43 3i8i n ILE 82 Ca 0.00 -0.39 0.00 0.00 0.56 0.00 0.00 62.75 62.92 3i8i n ILE 82 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 3i8i n ILE 82 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 3i8i n LYS 83 N 0.80 0.00 -1.71 0.38 4.81 -1.26 -3.91 118.16 117.27 3i8i n LYS 83 Ca 0.14 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.16 3i8i n LYS 83 Cb 0.20 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.22 3i8i n LYS 83 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3i8i n GLN 84 N 0.00 2.80 -4.11 1.64 6.02 -1.26 -2.60 117.38 119.86 3i8i n GLN 84 Ca 0.00 1.01 -0.08 0.00 -0.01 0.00 0.00 57.00 57.92 3i8i n GLN 84 Cb 0.00 -2.87 -0.10 0.00 1.02 0.00 0.00 30.24 28.29 3i8i n GLN 84 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3i8i s VAL 85 N 1.55 0.29 -0.14 5.09 -7.23 -1.26 -4.58 120.40 114.11 3i8i s VAL 85 Ca 0.77 -1.85 -0.16 0.00 -1.81 0.00 0.00 61.98 58.93 3i8i s VAL 85 Cb -0.50 -1.63 -0.14 0.00 0.56 0.00 0.00 36.38 34.68 3i8i s VAL 85 CO 0.33 -0.89 0.28 0.00 -0.31 0.00 0.00 175.10 174.51 3i8i h ALA 86 N 3.07 0.06 -3.02 1.32 0.00 -1.11 -3.44 119.26 116.14 3i8i h ALA 86 Ca -0.34 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.05 3i8i h ALA 86 Cb 1.15 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 3i8i h ALA 86 CO 0.65 0.24 -0.17 0.34 0.00 0.00 0.00 179.25 180.31 3i8i n PHE 87 N -4.62 -0.51 0.00 0.00 7.35 -1.26 -4.81 117.46 113.61 3i8i n PHE 87 Ca -0.12 0.30 0.00 0.00 -0.76 0.00 0.00 57.45 56.87 3i8i n PHE 87 Cb 0.36 -1.86 0.00 0.00 0.35 0.00 0.00 39.48 38.32 3i8i n PHE 87 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 3i8i n ASP 88 N 0.19 0.00 0.00 -2.13 4.64 0.83 -4.74 116.55 115.34 3i8i n ASP 88 Ca -0.04 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.37 3i8i n ASP 88 Cb 0.06 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.14 3i8i n ASP 88 CO 0.00 0.00 0.00 -2.11 -0.82 0.00 0.00 177.20 174.27 3i8i n ARG 89 N 0.00 0.00 0.00 -0.67 1.85 -1.26 -4.97 116.66 111.61 3i8i n ARG 89 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3i8i n ARG 89 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 3i8i n ARG 89 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3i8i n GLY 90 N 0.00 1.64 0.07 2.89 0.00 -1.26 -0.75 105.19 107.78 3i8i n GLY 90 Ca 0.00 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.11 3i8i n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i8i n PRO 91 N 10.46 0.44 -2.71 1.61 -0.04 -1.26 -4.50 135.00 139.01 3i8i n PRO 91 Ca 0.00 -0.13 -0.42 0.00 -0.04 0.00 0.00 63.50 62.91 3i8i n PRO 91 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 3i8i n PRO 91 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3i8i s TYR 92 N -2.65 3.65 0.52 0.54 2.02 0.08 -4.97 117.35 116.54 3i8i s TYR 92 Ca 0.24 1.69 -0.22 0.00 -0.37 0.00 0.00 57.07 58.41 3i8i s TYR 92 Cb 0.20 -3.13 -0.05 0.00 -0.40 0.00 0.00 41.96 38.57 3i8i s TYR 92 CO 0.51 -0.04 1.32 0.21 -1.57 0.00 0.00 175.55 175.98 3i8i s LYS 93 N 1.06 3.30 -0.92 -0.62 2.20 -1.26 -4.82 119.74 118.68 3i8i s LYS 93 Ca 0.52 2.14 -0.25 0.00 -0.36 0.00 0.00 55.97 58.03 3i8i s LYS 93 Cb -0.21 -2.31 -0.07 0.00 -1.51 0.00 0.00 37.83 33.73 3i8i s LYS 93 CO 0.28 -1.04 2.02 -0.47 -0.36 0.00 0.00 175.35 175.78 3i8i s TYR 94 N -1.35 1.71 0.25 4.03 5.04 -1.26 -4.77 117.35 120.99 3i8i s TYR 94 Ca 0.69 0.85 -0.10 0.00 -2.44 0.00 0.00 57.07 56.07 3i8i s TYR 94 Cb -0.38 -3.94 -0.01 0.00 0.35 0.00 0.00 41.96 37.98 3i8i s TYR 94 CO 0.45 -1.64 0.42 -1.58 -1.34 0.00 0.00 175.55 171.86 3i8i s HIS 95 N 11.03 0.56 0.00 4.97 2.46 -1.26 -4.85 115.29 128.19 3i8i s HIS 95 Ca 0.73 -0.89 0.00 0.00 0.47 0.00 0.00 55.06 55.38 3i8i s HIS 95 Cb -0.07 0.04 0.00 0.00 -0.13 0.00 0.00 32.58 32.42 3i8i s HIS 95 CO 0.02 -0.94 0.00 0.41 -2.47 0.00 0.00 174.74 171.76 3i8i n GLY 96 N -0.37 0.00 0.00 1.59 0.00 -1.26 0.08 105.19 105.23 3i8i n GLY 96 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3i8i n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8i n ARG 97 N 0.00 0.00 -0.33 1.61 5.12 -1.26 0.10 116.66 121.90 3i8i n ARG 97 Ca 0.00 0.68 0.16 0.00 -1.93 0.00 0.00 57.85 56.75 3i8i n ARG 97 Cb 0.00 -1.20 0.38 0.00 -1.16 0.00 0.00 32.46 30.48 3i8i n ARG 97 CO 0.00 0.00 0.00 -0.39 -1.93 0.00 0.00 177.63 175.31 3i8i h VAL 98 N 0.00 0.65 -0.86 1.55 -1.51 -1.77 0.47 116.25 114.78 3i8i h VAL 98 Ca 0.00 -0.22 -0.02 0.00 -1.23 0.00 0.00 66.70 65.23 3i8i h VAL 98 Cb 0.00 -0.04 -0.04 0.00 -2.13 0.00 0.00 31.29 29.08 3i8i h VAL 98 CO 0.00 0.12 0.45 0.50 -1.23 0.00 0.00 177.57 177.40 3i8i h LYS 99 N 0.64 1.22 0.02 5.19 3.64 0.96 -0.63 116.57 127.60 3i8i h LYS 99 Ca 0.58 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.80 3i8i h LYS 99 Cb 1.08 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 3i8i h LYS 99 CO -0.36 0.91 -0.01 0.00 -2.27 0.00 0.00 179.45 177.72 3i8i h ALA 100 N 1.27 -0.02 -0.93 5.00 0.00 0.54 -1.44 119.26 123.69 3i8i h ALA 100 Ca 0.30 -0.08 0.23 0.00 0.00 0.00 0.00 54.91 55.35 3i8i h ALA 100 Cb 0.07 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 3i8i h ALA 100 CO -0.04 -0.43 0.62 1.25 0.00 0.00 0.00 179.25 180.65 3i8i h LEU 101 N -0.18 0.31 -1.36 0.00 7.12 -0.63 0.30 115.31 120.87 3i8i h LEU 101 Ca -0.00 0.04 -0.01 0.00 0.13 0.00 0.00 57.88 58.04 3i8i h LEU 101 Cb 0.18 -0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 40.26 3i8i h LEU 101 CO 0.00 0.11 0.32 0.00 -0.13 0.00 0.00 178.44 178.74 3i8i h ALA 102 N 1.60 1.52 -0.17 1.25 0.00 -0.01 -2.06 119.26 121.38 3i8i h ALA 102 Ca 0.48 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.20 3i8i h ALA 102 Cb 1.36 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3i8i h ALA 102 CO -0.15 0.41 -0.33 0.93 0.00 0.00 0.00 179.25 180.11 3i8i h GLU 103 N 0.76 0.53 0.00 0.00 4.39 -0.23 -2.13 114.58 117.91 3i8i h GLU 103 Ca 0.20 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.56 3i8i h GLU 103 Cb -0.00 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 3i8i h GLU 103 CO -0.04 0.95 0.26 0.78 -1.16 0.00 0.00 179.01 179.80 3i8i h GLY 104 N 0.18 0.00 2.00 -3.84 0.00 -0.94 0.92 103.07 101.39 3i8i h GLY 104 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3i8i h GLY 104 CO 0.07 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.61 3i8i h ALA 105 N 1.42 1.00 -2.41 3.60 0.00 -0.91 0.17 119.26 122.13 3i8i h ALA 105 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 3i8i h ALA 105 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3i8i h ALA 105 CO 0.00 0.00 0.46 1.03 0.00 0.00 0.00 179.25 180.74 3i8i s ARG 106 N -3.27 4.50 0.00 0.00 0.52 0.32 -4.27 118.95 116.75 3i8i s ARG 106 Ca 0.07 1.52 0.00 0.00 -0.52 0.00 0.00 55.73 56.80 3i8i s ARG 106 Cb 0.08 -3.44 0.00 0.00 0.52 0.00 0.00 34.95 32.10 3i8i s ARG 106 CO 0.61 -0.15 0.00 -1.91 0.02 0.00 0.00 175.30 173.86 3i8i n GLU 107 N 4.09 0.00 0.00 3.54 4.07 -1.26 -4.97 120.64 126.11 3i8i n GLU 107 Ca 0.07 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.17 3i8i n GLU 107 Cb 0.49 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.87 3i8i n GLU 107 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3i8i n GLY 108 N 0.00 3.34 6.04 8.31 0.00 -1.26 -4.75 105.19 116.87 3i8i n GLY 108 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3i8i n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8i n GLY 109 N 0.00 0.48 7.00 -0.02 0.00 -1.08 -4.72 105.19 106.85 3i8i n GLY 109 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3i8i n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i8i n LEU 110 N 0.00 0.00 -1.67 0.99 4.77 -1.07 -4.66 117.00 115.36 3i8i n LEU 110 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 3i8i n LEU 110 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3i8i n LEU 110 CO 0.00 0.00 0.01 1.21 -1.33 0.00 0.00 177.39 177.28 3i8i n GLU 111 N 12.77 -0.26 0.00 3.23 4.07 -1.26 -4.17 120.64 135.02 3i8i n GLU 111 Ca 0.00 0.68 0.00 0.00 -0.06 0.00 0.00 57.16 57.78 3i8i n GLU 111 Cb 0.00 -2.00 0.00 0.00 -0.06 0.00 0.00 31.44 29.38 3i8i n GLU 111 CO 0.00 0.00 0.00 1.97 -0.06 0.00 0.00 177.13 179.04