#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8i n ASN 2 N 0.00 -1.43 0.00 6.12 3.02 -1.26 -3.23 115.26 118.48 3i8i n ASN 2 Ca 0.00 -0.93 0.00 0.00 -0.03 0.00 0.00 54.58 53.62 3i8i n ASN 2 Cb 0.00 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.73 3i8i n ASN 2 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 3i8i n ARG 3 N 3.54 0.00 -0.08 3.52 1.85 -1.26 -5.01 116.66 119.22 3i8i n ARG 3 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.96 3i8i n ARG 3 Cb 0.32 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 31.75 3i8i n ARG 3 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3i8i n GLY 4 N 0.00 -0.43 0.00 2.89 0.00 -1.20 -0.09 105.19 106.37 3i8i n GLY 4 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3i8i n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8i n ALA 5 N -3.89 -0.27 -0.29 4.61 0.00 -1.26 -2.71 120.51 116.69 3i8i n ALA 5 Ca 0.03 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.72 3i8i n ALA 5 Cb 0.10 0.10 0.59 0.00 0.00 0.00 0.00 19.45 20.23 3i8i n ALA 5 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3i8i h LEU 6 N 0.00 0.29 -0.32 0.00 5.85 -0.91 0.60 115.31 120.82 3i8i h LEU 6 Ca 0.00 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.80 3i8i h LEU 6 Cb 0.00 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3i8i h LEU 6 CO 0.00 0.07 0.13 0.40 -0.34 0.00 0.00 178.44 178.70 3i8i h ILE 7 N 0.27 0.93 0.00 4.05 1.08 -1.29 0.93 117.51 123.47 3i8i h ILE 7 Ca 0.54 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.92 3i8i h ILE 7 Cb 1.61 0.63 0.00 0.00 -3.07 0.00 0.00 36.82 35.99 3i8i h ILE 7 CO -0.18 0.05 0.00 0.50 -0.69 0.00 0.00 178.15 177.83 3i8i h LYS 8 N 0.27 0.00 0.11 2.37 3.64 0.26 -2.73 116.57 120.50 3i8i h LYS 8 Ca 0.14 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.21 3i8i h LYS 8 Cb 0.10 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 3i8i h LYS 8 CO -0.14 0.00 -1.63 -0.07 -2.27 0.00 0.00 179.45 175.35 3i8i h LEU 9 N 0.00 0.38 -0.77 5.20 3.38 0.20 -3.32 115.31 120.37 3i8i h LEU 9 Ca 0.00 -0.58 0.02 0.00 0.09 0.00 0.00 57.88 57.41 3i8i h LEU 9 Cb 0.45 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 3i8i h LEU 9 CO 0.00 1.49 0.50 0.58 0.09 0.00 0.00 178.44 181.10 3i8i h VAL 10 N 0.07 1.15 -1.05 1.22 2.07 0.10 -1.42 116.25 118.39 3i8i h VAL 10 Ca -0.28 -0.34 0.29 0.00 0.82 0.00 0.00 66.70 67.19 3i8i h VAL 10 Cb 2.03 0.07 -0.12 0.00 -1.52 0.00 0.00 31.29 31.74 3i8i h VAL 10 CO 0.15 0.18 0.65 -0.08 0.02 0.00 0.00 177.57 178.49 3i8i h GLU 11 N 1.00 0.39 -3.46 1.57 4.57 -1.61 -3.09 114.58 113.94 3i8i h GLU 11 Ca 0.30 -0.02 -0.50 0.00 -1.18 0.00 0.00 59.36 57.95 3i8i h GLU 11 Cb -0.05 -0.09 0.02 0.00 -0.16 0.00 0.00 28.75 28.48 3i8i h GLU 11 CO -0.09 0.26 2.94 0.43 -1.18 0.00 0.00 179.01 181.37 3i8i n SER 12 N -4.81 5.65 -1.75 1.04 7.64 -0.54 -4.40 113.62 116.46 3i8i n SER 12 Ca 0.29 -2.45 -0.04 0.00 1.01 0.00 0.00 58.87 57.67 3i8i n SER 12 Cb 0.93 -1.25 0.25 0.00 -1.01 0.00 0.00 64.21 63.13 3i8i n SER 12 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 3i8i n ARG 13 N 4.43 3.24 -0.11 1.43 1.85 -1.17 -3.47 116.66 122.85 3i8i n ARG 13 Ca 0.54 -2.43 0.04 0.00 -1.00 0.00 0.00 57.85 55.00 3i8i n ARG 13 Cb 0.20 -2.03 0.10 0.00 -1.05 0.00 0.00 32.46 29.68 3i8i n ARG 13 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3i8i n TYR 14 N -0.02 0.29 -2.00 2.89 4.02 -1.26 -5.02 117.16 116.06 3i8i n TYR 14 Ca 0.32 -0.43 -0.41 0.00 -0.01 0.00 0.00 57.90 57.38 3i8i n TYR 14 Cb 1.17 -0.03 -0.01 0.00 -0.02 0.00 0.00 39.34 40.45 3i8i n TYR 14 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 3i8i s VAL 15 N -0.95 2.48 0.51 -0.72 -7.23 -1.23 -4.86 120.40 108.41 3i8i s VAL 15 Ca 0.16 0.48 0.08 0.00 -1.81 0.00 0.00 61.98 60.89 3i8i s VAL 15 Cb 0.09 -3.30 0.05 0.00 0.56 0.00 0.00 36.38 33.78 3i8i s VAL 15 CO 0.11 0.11 0.64 -0.60 -0.31 0.00 0.00 175.10 175.05 3i8i s ARG 16 N -1.98 2.45 0.00 4.82 3.52 -1.26 -5.03 118.95 121.48 3i8i s ARG 16 Ca 0.52 -1.58 0.00 0.00 -0.13 0.00 0.00 55.73 54.53 3i8i s ARG 16 Cb -0.42 -2.57 0.00 0.00 -1.56 0.00 0.00 34.95 30.41 3i8i s ARG 16 CO 0.55 -0.60 0.00 -2.37 -0.81 0.00 0.00 175.30 172.07 3i8i n THR 17 N -2.00 0.00 0.24 4.11 5.66 -1.26 -4.92 114.28 116.11 3i8i n THR 17 Ca 0.10 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.22 3i8i n THR 17 Cb 0.61 0.00 0.65 0.00 -1.55 0.00 0.00 70.33 70.05 3i8i n THR 17 CO 0.00 0.00 0.00 -2.24 -3.05 0.00 0.00 175.07 169.78 3i8i h ASP 18 N 0.00 0.00 -3.60 1.09 2.03 -1.98 -3.43 116.42 110.53 3i8i h ASP 18 Ca 0.00 0.00 -0.51 0.00 -0.73 0.00 0.00 57.03 55.79 3i8i h ASP 18 Cb 0.00 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.48 3i8i h ASP 18 CO 0.00 0.00 0.29 -0.76 -1.03 0.00 0.00 179.24 177.74 3i8i s LEU 19 N -4.97 4.57 0.00 0.15 1.43 -1.26 -4.97 118.68 113.62 3i8i s LEU 19 Ca -0.03 1.77 -0.05 0.00 -1.03 0.00 0.00 54.13 54.78 3i8i s LEU 19 Cb 0.07 -3.48 0.08 0.00 0.03 0.00 0.00 46.19 42.90 3i8i s LEU 19 CO 0.22 0.09 0.19 -2.65 0.23 0.00 0.00 176.35 174.43 3i8i n PRO 20 N 2.06 -0.68 -4.59 1.29 -0.02 -1.26 -5.04 135.00 126.76 3i8i n PRO 20 Ca -0.02 -0.32 -0.33 0.00 -2.02 0.00 0.00 63.50 60.81 3i8i n PRO 20 Cb 0.48 -0.63 -0.11 0.00 -0.02 0.00 0.00 33.50 33.22 3i8i n PRO 20 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3i8i s GLU 21 N -2.41 2.59 -0.22 -0.52 2.02 -1.26 -5.11 118.70 113.80 3i8i s GLU 21 Ca 0.15 -0.67 -0.30 0.00 0.02 0.00 0.00 54.97 54.17 3i8i s GLU 21 Cb -0.03 -2.50 0.16 0.00 0.10 0.00 0.00 34.13 31.86 3i8i s GLU 21 CO 0.12 0.62 1.18 -0.59 0.02 0.00 0.00 175.26 176.62 3i8i s PHE 22 N -0.89 -0.19 0.20 1.61 -0.12 -1.26 -5.04 117.98 112.29 3i8i s PHE 22 Ca 0.14 0.31 0.02 0.00 -0.05 0.00 0.00 56.93 57.35 3i8i s PHE 22 Cb -0.11 0.48 -0.05 0.00 -0.63 0.00 0.00 43.02 42.71 3i8i s PHE 22 CO 0.04 -0.19 0.03 -0.98 -0.05 0.00 0.00 175.22 174.07 3i8i s ARG 23 N -1.22 1.20 0.22 1.99 1.70 -1.26 -5.09 118.95 116.49 3i8i s ARG 23 Ca 0.04 -1.60 -0.30 0.00 -0.47 0.00 0.00 55.73 53.40 3i8i s ARG 23 Cb -0.01 -0.25 -0.15 0.00 -0.57 0.00 0.00 34.95 33.97 3i8i s ARG 23 CO -0.04 -0.18 1.03 -0.35 -1.08 0.00 0.00 175.30 174.69 3i8i n PRO 24 N -0.31 1.13 0.00 3.89 -0.04 -1.26 -2.32 135.00 136.09 3i8i n PRO 24 Ca -0.04 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 3i8i n PRO 24 Cb 0.64 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 3i8i n PRO 24 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i8i n GLY 25 N 1.66 3.15 3.73 0.55 0.00 -0.61 -4.46 105.19 109.22 3i8i n GLY 25 Ca 0.13 -0.98 -0.40 0.00 0.00 0.00 0.00 46.02 44.76 3i8i n GLY 25 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3i8i s ASP 26 N 0.00 7.24 0.47 1.61 1.47 -0.98 -3.95 116.67 122.53 3i8i s ASP 26 Ca 0.00 1.49 -0.21 0.00 1.18 0.00 0.00 52.55 55.01 3i8i s ASP 26 Cb 0.00 -2.49 -0.08 0.00 -0.34 0.00 0.00 42.92 40.00 3i8i s ASP 26 CO 0.00 -0.06 1.05 0.28 0.68 0.00 0.00 175.17 177.12 3i8i s THR 27 N 0.26 3.71 -0.03 2.11 -1.32 -1.10 -2.61 115.64 116.67 3i8i s THR 27 Ca 0.42 1.11 -0.25 0.00 -1.21 0.00 0.00 61.69 61.77 3i8i s THR 27 Cb -0.21 -3.48 0.05 0.00 -1.51 0.00 0.00 72.50 67.36 3i8i s THR 27 CO 0.24 -0.19 0.53 0.54 -2.21 0.00 0.00 174.62 173.54 3i8i s VAL 28 N -1.90 0.02 -0.09 5.08 0.11 0.12 -2.49 120.40 121.24 3i8i s VAL 28 Ca 0.66 -0.19 -0.01 0.00 -2.93 0.00 0.00 61.98 59.51 3i8i s VAL 28 Cb -0.18 -0.85 -0.03 0.00 -1.53 0.00 0.00 36.38 33.79 3i8i s VAL 28 CO 0.22 -0.10 -0.06 -0.60 -3.33 0.00 0.00 175.10 171.23 3i8i s ARG 29 N -1.28 3.00 -0.11 1.54 3.52 0.47 -1.44 118.95 124.66 3i8i s ARG 29 Ca -0.12 -0.53 0.01 0.00 -0.13 0.00 0.00 55.73 54.96 3i8i s ARG 29 Cb -0.02 -2.69 0.02 0.00 -1.56 0.00 0.00 34.95 30.70 3i8i s ARG 29 CO 0.07 0.56 -0.12 0.54 -0.81 0.00 0.00 175.30 175.54 3i8i s VAL 30 N -0.52 1.31 -0.18 7.11 0.11 -0.40 0.50 120.40 128.33 3i8i s VAL 30 Ca 0.08 -0.51 -0.26 0.00 -2.93 0.00 0.00 61.98 58.36 3i8i s VAL 30 Cb -0.12 -1.23 -0.01 0.00 -1.53 0.00 0.00 36.38 33.49 3i8i s VAL 30 CO 0.02 0.41 0.88 -0.44 -3.33 0.00 0.00 175.10 172.64 3i8i s SER 31 N 1.20 6.99 -0.12 3.54 0.01 0.51 -1.59 113.70 124.24 3i8i s SER 31 Ca -0.03 1.22 0.02 0.00 1.31 0.00 0.00 55.95 58.47 3i8i s SER 31 Cb -0.14 -2.47 0.01 0.00 0.21 0.00 0.00 66.02 63.63 3i8i s SER 31 CO -0.04 -0.46 -0.18 -0.47 0.41 0.00 0.00 173.24 172.50 3i8i s TYR 32 N 2.40 2.22 0.14 2.43 5.04 -0.71 -2.08 117.35 126.79 3i8i s TYR 32 Ca 0.40 -1.07 -0.31 0.00 -2.44 0.00 0.00 57.07 53.64 3i8i s TYR 32 Cb -0.16 -1.56 -0.10 0.00 0.35 0.00 0.00 41.96 40.49 3i8i s TYR 32 CO 0.11 -0.52 1.60 0.15 -1.34 0.00 0.00 175.55 175.55 3i8i s LYS 33 N 0.92 4.21 0.30 4.97 1.02 0.20 -2.92 119.74 128.44 3i8i s LYS 33 Ca -0.07 2.36 0.05 0.00 0.02 0.00 0.00 55.97 58.33 3i8i s LYS 33 Cb -0.15 -3.29 -0.06 0.00 -0.52 0.00 0.00 37.83 33.81 3i8i s LYS 33 CO -0.02 -0.65 0.02 0.08 -0.92 0.00 0.00 175.35 173.86 3i8i s VAL 34 N 1.60 1.32 0.00 3.17 1.01 -1.23 -4.94 120.40 121.33 3i8i s VAL 34 Ca 0.71 -2.03 0.00 0.00 0.00 0.00 0.00 61.98 60.66 3i8i s VAL 34 Cb -0.43 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.29 3i8i s VAL 34 CO 0.32 -0.12 0.00 0.29 0.00 0.00 0.00 175.10 175.59 3i8i n LYS 35 N -0.64 0.00 -1.65 2.72 5.02 -1.26 -2.28 118.16 120.08 3i8i n LYS 35 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 3i8i n LYS 35 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.66 3i8i n LYS 35 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3i8i n GLU 36 N 0.00 -3.87 -3.57 1.97 -0.58 -1.26 -3.15 120.64 110.17 3i8i n GLU 36 Ca 0.00 2.90 -0.27 0.00 -0.42 0.00 0.00 57.16 59.38 3i8i n GLU 36 Cb 0.00 -3.05 0.01 0.00 -0.57 0.00 0.00 31.44 27.83 3i8i n GLU 36 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i8i n GLY 37 N 1.32 -0.49 4.59 0.62 0.00 -1.26 -1.68 105.19 108.29 3i8i n GLY 37 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3i8i n GLY 37 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i8i n ASN 38 N -2.54 0.00 -3.57 1.61 2.85 -1.26 -4.90 115.26 107.45 3i8i n ASN 38 Ca -0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 3i8i n ASN 38 Cb 0.54 -0.09 0.00 0.00 1.24 0.00 0.00 39.78 41.47 3i8i n ASN 38 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 3i8i n ARG 39 N -0.45 1.98 -3.26 1.20 0.63 -0.68 -5.00 116.66 111.09 3i8i n ARG 39 Ca 0.00 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.94 3i8i n ARG 39 Cb 0.00 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 32.88 3i8i n ARG 39 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3i8i s THR 40 N 0.00 -0.92 0.00 5.15 2.01 -1.19 -4.27 115.64 116.42 3i8i s THR 40 Ca 0.00 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 61.99 3i8i s THR 40 Cb 0.00 -0.96 0.00 0.00 0.01 0.00 0.00 72.50 71.55 3i8i s THR 40 CO 0.00 -0.02 0.00 0.54 -0.69 0.00 0.00 174.62 174.45 3i8i n ARG 41 N 5.42 3.22 -2.67 4.92 1.74 -0.96 -4.91 116.66 123.41 3i8i n ARG 41 Ca -0.03 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.01 3i8i n ARG 41 Cb 0.51 0.00 0.10 0.00 -1.02 0.00 0.00 32.46 32.05 3i8i n ARG 41 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 3i8i n ILE 42 N 0.00 0.00 -2.54 0.55 -6.64 -1.26 -3.51 119.36 105.96 3i8i n ILE 42 Ca 0.00 -0.74 -0.36 0.00 -1.77 0.00 0.00 62.75 59.88 3i8i n ILE 42 Cb 0.00 1.12 -0.04 0.00 -1.44 0.00 0.00 39.64 39.28 3i8i n ILE 42 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3i8i s GLN 43 N 0.09 4.15 0.10 6.28 -2.07 -1.15 -4.56 119.66 122.50 3i8i s GLN 43 Ca 0.22 1.50 -0.13 0.00 -1.82 0.00 0.00 55.36 55.14 3i8i s GLN 43 Cb 0.27 -2.52 -0.06 0.00 -1.09 0.00 0.00 33.01 29.61 3i8i s GLN 43 CO -0.16 -0.15 0.47 -0.51 -1.32 0.00 0.00 175.29 173.62 3i8i s ASP 44 N -1.58 6.75 -0.27 12.60 -0.00 -1.26 -1.74 116.67 131.17 3i8i s ASP 44 Ca 0.58 0.94 -0.00 0.00 -0.00 0.00 0.00 52.55 54.07 3i8i s ASP 44 Cb -0.22 -2.24 0.08 0.00 -0.00 0.00 0.00 42.92 40.55 3i8i s ASP 44 CO 0.27 0.16 0.04 0.12 -0.00 0.00 0.00 175.17 175.76 3i8i s PHE 45 N -1.38 1.97 -0.15 4.23 5.36 -0.62 -4.93 117.98 122.46 3i8i s PHE 45 Ca 0.34 -1.68 -0.02 0.00 -0.96 0.00 0.00 56.93 54.60 3i8i s PHE 45 Cb -0.15 -1.65 -0.02 0.00 -0.34 0.00 0.00 43.02 40.86 3i8i s PHE 45 CO 0.18 -0.80 -0.07 -2.00 -1.46 0.00 0.00 175.22 171.07 3i8i s GLU 46 N 1.53 3.56 -0.04 10.12 2.12 -1.26 -1.27 118.70 133.46 3i8i s GLU 46 Ca 0.03 -0.59 -0.29 0.00 0.36 0.00 0.00 54.97 54.49 3i8i s GLU 46 Cb -0.18 -2.81 0.10 0.00 0.26 0.00 0.00 34.13 31.50 3i8i s GLU 46 CO -0.14 0.23 1.31 0.20 -0.54 0.00 0.00 175.26 176.31 3i8i s GLY 47 N 0.37 -0.15 0.34 -1.50 0.00 -0.52 -4.75 107.32 101.11 3i8i s GLY 47 Ca -0.07 0.06 -0.27 0.00 0.00 0.00 0.00 44.72 44.44 3i8i s GLY 47 CO 0.04 6.07 1.13 -0.42 0.00 0.00 0.00 173.10 179.92 3i8i s ILE 48 N -2.02 3.36 -0.43 0.90 1.01 -0.05 0.10 121.20 124.06 3i8i s ILE 48 Ca 0.30 1.25 -0.25 0.00 0.00 0.00 0.00 60.65 61.95 3i8i s ILE 48 Cb -0.00 -3.75 0.02 0.00 0.01 0.00 0.00 42.46 38.74 3i8i s ILE 48 CO -0.01 0.21 0.89 0.54 0.00 0.00 0.00 174.94 176.57 3i8i s VAL 49 N -1.31 4.54 0.14 2.92 0.11 -1.07 0.26 120.40 125.99 3i8i s VAL 49 Ca 0.50 0.79 0.07 0.00 -2.93 0.00 0.00 61.98 60.41 3i8i s VAL 49 Cb -0.31 -4.38 -0.18 0.00 -1.53 0.00 0.00 36.38 29.98 3i8i s VAL 49 CO 0.39 -0.73 1.33 0.40 -3.33 0.00 0.00 175.10 173.17 3i8i h ILE 50 N 5.99 1.65 -1.52 7.04 5.03 -1.32 -1.63 117.51 132.76 3i8i h ILE 50 Ca -0.24 -3.17 0.10 0.00 -0.12 0.00 0.00 64.86 61.43 3i8i h ILE 50 Cb 1.08 2.73 -0.27 0.00 -3.03 0.00 0.00 36.82 37.32 3i8i h ILE 50 CO 1.00 0.91 0.46 -0.60 -0.68 0.00 0.00 178.15 179.23 3i8i s ARG 51 N -2.87 0.40 -0.23 2.37 3.00 -1.17 -1.80 118.95 118.65 3i8i s ARG 51 Ca 0.00 0.58 -0.02 0.00 -1.00 0.00 0.00 55.73 55.29 3i8i s ARG 51 Cb 0.10 0.14 0.02 0.00 0.00 0.00 0.00 34.95 35.21 3i8i s ARG 51 CO 0.82 -0.06 -0.08 0.42 0.00 0.00 0.00 175.30 176.39 3i8i s ILE 52 N 0.77 2.88 -0.39 4.11 1.01 -1.26 -0.27 121.20 128.04 3i8i s ILE 52 Ca -0.03 -0.86 -0.15 0.00 0.00 0.00 0.00 60.65 59.61 3i8i s ILE 52 Cb -0.04 -2.39 0.01 0.00 0.01 0.00 0.00 42.46 40.05 3i8i s ILE 52 CO -0.11 0.31 0.32 -0.60 0.00 0.00 0.00 174.94 174.86 3i8i s ARG 53 N 1.36 3.14 0.14 2.79 3.52 0.20 -4.98 118.95 125.12 3i8i s ARG 53 Ca 0.02 -0.85 -0.20 0.00 -0.13 0.00 0.00 55.73 54.57 3i8i s ARG 53 Cb -0.15 -3.93 -0.07 0.00 -1.56 0.00 0.00 34.95 29.23 3i8i s ARG 53 CO -0.05 -0.70 0.64 1.03 -0.81 0.00 0.00 175.30 175.41 3i8i s ARG 54 N 1.80 4.24 -0.28 5.12 0.52 -1.26 -1.11 118.95 127.98 3i8i s ARG 54 Ca 0.07 0.80 0.04 0.00 -0.52 0.00 0.00 55.73 56.12 3i8i s ARG 54 Cb -0.18 -3.11 0.14 0.00 0.52 0.00 0.00 34.95 32.32 3i8i s ARG 54 CO 0.11 0.55 1.06 -1.71 0.02 0.00 0.00 175.30 175.33 3i8i n ASN 55 N 1.32 -1.12 0.00 0.23 5.15 -1.26 -4.96 115.26 114.62 3i8i n ASN 55 Ca -0.07 -1.74 0.00 0.00 -0.60 0.00 0.00 54.58 52.18 3i8i n ASN 55 Cb 0.51 0.82 0.00 0.00 -0.53 0.00 0.00 39.78 40.57 3i8i n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i8i n GLY 56 N -0.54 3.67 2.29 8.20 0.00 -1.26 -4.19 105.19 113.36 3i8i n GLY 56 Ca -0.18 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 3i8i n GLY 56 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3i8i n PHE 57 N 14.00 -3.07 -2.66 1.61 -0.00 -1.26 -2.57 117.46 123.50 3i8i n PHE 57 Ca 0.00 -0.48 -0.13 0.00 -0.00 0.00 0.00 57.45 56.83 3i8i n PHE 57 Cb 0.00 -0.93 -0.03 0.00 -0.00 0.00 0.00 39.48 38.52 3i8i n PHE 57 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 3i8i n ASN 58 N -4.32 -0.38 -4.86 -2.13 2.04 -1.26 -4.86 115.26 99.49 3i8i n ASN 58 Ca 0.09 -0.42 -0.34 0.00 -0.44 0.00 0.00 54.58 53.47 3i8i n ASN 58 Cb 0.39 -0.53 -0.06 0.00 -2.53 0.00 0.00 39.78 37.06 3i8i n ASN 58 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 3i8i s THR 59 N -2.16 4.91 0.09 5.53 -1.32 -1.06 -4.63 115.64 116.99 3i8i s THR 59 Ca 0.21 0.67 0.03 0.00 -1.21 0.00 0.00 61.69 61.39 3i8i s THR 59 Cb -0.12 -3.69 -0.03 0.00 -1.51 0.00 0.00 72.50 67.15 3i8i s THR 59 CO 0.34 0.14 -0.10 0.42 -2.21 0.00 0.00 174.62 173.21 3i8i s THR 60 N -1.58 0.88 0.06 5.08 -4.23 -0.27 -1.65 115.64 113.93 3i8i s THR 60 Ca 0.40 -1.55 0.03 0.00 -1.18 0.00 0.00 61.69 59.40 3i8i s THR 60 Cb -0.14 -1.24 -0.03 0.00 1.34 0.00 0.00 72.50 72.43 3i8i s THR 60 CO 0.20 -0.52 -0.09 0.72 -0.54 0.00 0.00 174.62 174.39 3i8i s PHE 61 N -2.25 0.80 0.02 3.99 -0.12 -0.29 0.62 117.98 120.74 3i8i s PHE 61 Ca 0.03 -0.56 0.07 0.00 -0.05 0.00 0.00 56.93 56.42 3i8i s PHE 61 Cb -0.04 -0.46 -0.02 0.00 -0.63 0.00 0.00 43.02 41.86 3i8i s PHE 61 CO -0.00 -0.07 -0.21 0.95 -0.05 0.00 0.00 175.22 175.84 3i8i s THR 62 N -1.73 1.67 0.06 -4.49 -4.23 0.62 -0.40 115.64 107.14 3i8i s THR 62 Ca -0.05 -1.07 0.07 0.00 -1.18 0.00 0.00 61.69 59.46 3i8i s THR 62 Cb -0.08 -1.42 -0.04 0.00 1.34 0.00 0.00 72.50 72.31 3i8i s THR 62 CO -0.00 0.32 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.57 3i8i s VAL 63 N -0.66 3.08 0.08 2.29 1.01 -0.56 -0.85 120.40 124.80 3i8i s VAL 63 Ca 0.08 -1.18 0.08 0.00 0.00 0.00 0.00 61.98 60.96 3i8i s VAL 63 Cb -0.08 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 3i8i s VAL 63 CO 0.01 0.26 -0.21 -0.60 0.00 0.00 0.00 175.10 174.56 3i8i s ARG 64 N -1.71 1.23 -0.24 2.72 3.52 0.14 -1.60 118.95 123.01 3i8i s ARG 64 Ca 0.17 -1.10 -0.27 0.00 -0.13 0.00 0.00 55.73 54.40 3i8i s ARG 64 Cb -0.11 -1.46 0.14 0.00 -1.56 0.00 0.00 34.95 31.97 3i8i s ARG 64 CO 0.08 0.35 1.12 -1.59 -0.81 0.00 0.00 175.30 174.46 3i8i s LYS 65 N -1.67 0.42 0.75 5.12 0.00 0.37 -0.88 119.74 123.85 3i8i s LYS 65 Ca 0.07 0.30 -0.10 0.00 0.00 0.00 0.00 55.97 56.24 3i8i s LYS 65 Cb -0.10 0.20 0.05 0.00 0.00 0.00 0.00 37.83 37.99 3i8i s LYS 65 CO 0.03 -0.09 1.11 0.08 0.00 0.00 0.00 175.35 176.48 3i8i s VAL 66 N -0.39 2.56 -0.29 1.79 1.01 -1.26 0.74 120.40 124.56 3i8i s VAL 66 Ca 0.03 0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.13 3i8i s VAL 66 Cb -0.03 -3.16 0.19 0.00 0.00 0.00 0.00 36.38 33.39 3i8i s VAL 66 CO -0.05 -0.20 0.56 -0.55 0.00 0.00 0.00 175.10 174.86 3i8i s SER 67 N -4.49 -1.33 -1.22 3.32 0.15 0.45 -4.74 113.70 105.84 3i8i s SER 67 Ca 0.60 0.12 -0.03 0.00 0.70 0.00 0.00 55.95 57.35 3i8i s SER 67 Cb -0.11 1.90 0.00 0.00 -1.71 0.00 0.00 66.02 66.11 3i8i s SER 67 CO 0.49 -0.31 1.03 -1.22 1.20 0.00 0.00 173.24 174.43 3i8i n TYR 68 N 5.41 -2.35 0.00 3.44 4.01 -1.26 -2.49 117.16 123.92 3i8i n TYR 68 Ca 0.04 0.94 0.00 0.00 -0.16 0.00 0.00 57.90 58.72 3i8i n TYR 68 Cb 0.53 -4.99 0.00 0.00 -0.31 0.00 0.00 39.34 34.57 3i8i n TYR 68 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i8i n GLY 69 N -1.40 2.30 3.71 2.72 0.00 -1.26 -5.00 105.19 106.27 3i8i n GLY 69 Ca -0.19 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 44.90 3i8i n GLY 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i8i s VAL 70 N -0.61 5.08 0.36 1.61 1.01 -1.04 -5.05 120.40 121.76 3i8i s VAL 70 Ca 0.00 1.30 -0.25 0.00 0.00 0.00 0.00 61.98 63.03 3i8i s VAL 70 Cb 0.00 -3.98 -0.09 0.00 0.00 0.00 0.00 36.38 32.31 3i8i s VAL 70 CO 0.00 0.25 1.01 -0.83 0.00 0.00 0.00 175.10 175.53 3i8i s GLY 71 N 0.80 2.78 0.04 4.51 0.00 -1.26 0.17 107.32 114.36 3i8i s GLY 71 Ca 0.34 0.63 0.02 0.00 0.00 0.00 0.00 44.72 45.71 3i8i s GLY 71 CO 0.15 1.08 -0.08 0.14 0.00 0.00 0.00 173.10 174.39 3i8i s VAL 72 N -1.62 0.56 -0.04 1.40 1.01 0.23 -4.85 120.40 117.09 3i8i s VAL 72 Ca 0.54 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.55 3i8i s VAL 72 Cb -0.21 -0.60 0.02 0.00 0.00 0.00 0.00 36.38 35.59 3i8i s VAL 72 CO 0.27 -0.30 -0.03 -1.61 0.00 0.00 0.00 175.10 173.43 3i8i s GLU 73 N -1.39 0.65 0.23 2.72 2.02 -1.26 -0.48 118.70 121.20 3i8i s GLU 73 Ca -0.08 -0.05 0.11 0.00 0.02 0.00 0.00 54.97 54.98 3i8i s GLU 73 Cb -0.09 -0.72 -0.05 0.00 0.10 0.00 0.00 34.13 33.38 3i8i s GLU 73 CO 0.00 -0.10 -0.16 0.50 0.02 0.00 0.00 175.26 175.52 3i8i s ARG 74 N 0.94 1.79 -0.11 1.61 3.52 -0.63 -4.97 118.95 121.11 3i8i s ARG 74 Ca -0.11 -1.55 0.01 0.00 -0.13 0.00 0.00 55.73 53.95 3i8i s ARG 74 Cb -0.14 -1.92 0.02 0.00 -1.56 0.00 0.00 34.95 31.34 3i8i s ARG 74 CO -0.00 0.38 -0.13 0.42 -0.81 0.00 0.00 175.30 175.15 3i8i s ILE 75 N -2.08 1.34 0.11 4.11 1.01 -1.26 -1.49 121.20 122.93 3i8i s ILE 75 Ca 0.26 -0.53 0.10 0.00 0.00 0.00 0.00 60.65 60.48 3i8i s ILE 75 Cb -0.07 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 41.11 3i8i s ILE 75 CO 0.14 0.41 -0.26 -0.36 0.00 0.00 0.00 174.94 174.87 3i8i s PHE 76 N 1.14 2.27 -0.41 3.97 0.40 0.46 -4.98 117.98 120.83 3i8i s PHE 76 Ca -0.04 -0.39 -0.24 0.00 -0.60 0.00 0.00 56.93 55.66 3i8i s PHE 76 Cb -0.14 -1.25 0.02 0.00 0.51 0.00 0.00 43.02 42.15 3i8i s PHE 76 CO -0.03 0.29 0.85 -2.14 0.70 0.00 0.00 175.22 174.89 3i8i s PRO 77 N -1.89 3.64 0.21 0.24 0.02 -1.26 -1.14 135.00 134.82 3i8i s PRO 77 Ca 0.13 0.23 0.08 0.00 0.02 0.00 0.00 61.00 61.46 3i8i s PRO 77 Cb -0.10 -3.87 0.41 0.00 0.02 0.00 0.00 34.50 30.96 3i8i s PRO 77 CO 0.05 -1.02 1.07 -0.11 -0.33 0.00 0.00 177.00 176.66 3i8i n LEU 78 N 6.75 0.20 -1.85 -5.54 -0.00 -0.66 -0.56 117.00 115.33 3i8i n LEU 78 Ca 0.04 0.43 -0.16 0.00 -0.00 0.00 0.00 56.01 56.32 3i8i n LEU 78 Cb 0.48 -0.38 0.05 0.00 -0.00 0.00 0.00 43.42 43.58 3i8i n LEU 78 CO 0.58 -0.50 0.19 1.41 -0.00 0.00 0.00 177.39 179.08 3i8i n HIS 79 N -1.75 2.10 -3.05 1.96 8.25 -1.26 -4.82 115.22 116.64 3i8i n HIS 79 Ca -0.01 -2.06 -0.41 0.00 -0.26 0.00 0.00 57.72 54.99 3i8i n HIS 79 Cb 0.32 -0.31 -0.05 0.00 1.12 0.00 0.00 29.99 31.07 3i8i n HIS 79 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3i8i s SER 80 N -3.53 6.75 0.23 0.41 0.15 0.27 -4.63 113.70 113.36 3i8i s SER 80 Ca 0.46 0.92 0.14 0.00 0.70 0.00 0.00 55.95 58.17 3i8i s SER 80 Cb 0.39 -2.38 0.78 0.00 -1.71 0.00 0.00 66.02 63.11 3i8i s SER 80 CO 0.01 -0.33 1.42 -2.65 1.20 0.00 0.00 173.24 172.89 3i8i n PRO 81 N 5.21 0.09 -0.19 5.44 -0.02 -1.26 -0.81 135.00 143.46 3i8i n PRO 81 Ca 0.01 0.58 0.09 0.00 -2.02 0.00 0.00 63.50 62.16 3i8i n PRO 81 Cb 0.49 -1.86 0.26 0.00 -0.02 0.00 0.00 33.50 32.37 3i8i n PRO 81 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3i8i n LEU 82 N -2.01 2.45 -4.23 2.45 4.32 -1.26 -4.66 117.00 114.07 3i8i n LEU 82 Ca -0.01 -1.15 -0.41 0.00 -0.02 0.00 0.00 56.01 54.42 3i8i n LEU 82 Cb 0.07 -0.25 -0.08 0.00 -1.62 0.00 0.00 43.42 41.54 3i8i n LEU 82 CO 0.06 0.57 -0.02 -0.63 -1.22 0.00 0.00 177.39 176.16 3i8i s ILE 83 N -1.50 4.30 0.31 -0.08 1.01 0.01 0.60 121.20 125.84 3i8i s ILE 83 Ca 0.33 -1.71 0.13 0.00 0.00 0.00 0.00 60.65 59.40 3i8i s ILE 83 Cb 0.18 -3.80 0.05 0.00 0.01 0.00 0.00 42.46 38.90 3i8i s ILE 83 CO 0.25 -0.75 1.73 0.06 0.00 0.00 0.00 174.94 176.23 3i8i h GLN 84 N 8.48 0.00 0.00 2.79 3.07 -1.69 -3.48 115.11 124.29 3i8i h GLN 84 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.52 3i8i h GLN 84 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.64 3i8i h GLN 84 CO 0.86 0.47 0.00 0.36 0.09 0.00 0.00 178.83 180.61 3i8i n LYS 85 N -3.91 0.00 -3.70 0.06 2.85 -1.24 -5.03 118.16 107.19 3i8i n LYS 85 Ca -0.01 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.03 3i8i n LYS 85 Cb 0.50 0.00 -0.18 0.00 -0.65 0.00 0.00 35.03 34.70 3i8i n LYS 85 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 177.40 175.85 3i8i s ILE 86 N -2.00 0.07 0.21 0.58 2.07 -1.26 -0.36 121.20 120.50 3i8i s ILE 86 Ca 0.00 0.26 -0.10 0.00 -1.41 0.00 0.00 60.65 59.40 3i8i s ILE 86 Cb 0.00 -0.33 -0.07 0.00 0.13 0.00 0.00 42.46 42.19 3i8i s ILE 86 CO 0.00 0.16 0.54 -1.81 -1.91 0.00 0.00 174.94 171.92 3i8i s ASP 87 N 2.10 6.65 -0.28 4.50 -0.00 0.18 -4.59 116.67 125.23 3i8i s ASP 87 Ca 0.05 0.93 -0.06 0.00 -0.00 0.00 0.00 52.55 53.47 3i8i s ASP 87 Cb -0.12 -2.23 0.01 0.00 -0.00 0.00 0.00 42.92 40.57 3i8i s ASP 87 CO -0.04 -0.03 0.05 -0.51 -0.00 0.00 0.00 175.17 174.64 3i8i s ILE 88 N -1.73 3.77 -0.80 0.77 1.10 -1.26 -0.39 121.20 122.65 3i8i s ILE 88 Ca 0.45 -0.70 0.23 0.00 -0.51 0.00 0.00 60.65 60.12 3i8i s ILE 88 Cb -0.12 -2.91 -0.10 0.00 0.15 0.00 0.00 42.46 39.48 3i8i s ILE 88 CO 0.21 0.14 1.12 1.33 -2.11 0.00 0.00 174.94 175.62 3i8i n VAL 89 N 4.83 0.09 -3.56 4.00 0.24 -1.04 -4.95 118.33 117.94 3i8i n VAL 89 Ca -0.15 -0.12 -0.06 0.00 -2.04 0.00 0.00 64.34 61.96 3i8i n VAL 89 Cb 0.48 0.37 -0.02 0.00 -1.47 0.00 0.00 33.84 33.20 3i8i n VAL 89 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3i8i s GLN 90 N -3.10 0.51 -0.09 7.34 2.00 -1.06 -4.97 119.66 120.30 3i8i s GLN 90 Ca 0.07 -0.17 0.04 0.00 -2.00 0.00 0.00 55.36 53.30 3i8i s GLN 90 Cb 0.16 0.24 -0.00 0.00 0.80 0.00 0.00 33.01 34.20 3i8i s GLN 90 CO 0.78 -0.22 -0.23 1.03 -0.50 0.00 0.00 175.29 176.15 3i8i s ARG 91 N -2.61 2.78 0.14 1.67 1.81 -1.26 -2.70 118.95 118.79 3i8i s ARG 91 Ca 0.07 -0.83 0.10 0.00 -1.72 0.00 0.00 55.73 53.35 3i8i s ARG 91 Cb -0.01 -2.17 -0.04 0.00 -0.45 0.00 0.00 34.95 32.28 3i8i s ARG 91 CO -0.06 0.21 -0.24 0.20 -0.68 0.00 0.00 175.30 174.72 3i8i s GLY 92 N 0.26 1.51 -0.48 -3.53 0.00 -1.25 0.82 107.32 104.64 3i8i s GLY 92 Ca -0.15 -1.45 -0.25 0.00 0.00 0.00 0.00 44.72 42.87 3i8i s GLY 92 CO 0.07 -1.45 0.92 -1.60 0.00 0.00 0.00 173.10 171.04 3i8i s ARG 93 N -2.19 3.47 -0.02 2.90 6.06 -1.26 -4.34 118.95 123.56 3i8i s ARG 93 Ca 0.14 0.04 -0.03 0.00 -2.50 0.00 0.00 55.73 53.38 3i8i s ARG 93 Cb -0.09 -3.96 -0.01 0.00 0.06 0.00 0.00 34.95 30.94 3i8i s ARG 93 CO 0.06 -1.28 0.24 0.00 -2.50 0.00 0.00 175.30 171.82 3i8i h ALA 94 N 9.14 -0.23 0.00 6.12 0.00 -1.88 -3.41 119.26 129.00 3i8i h ALA 94 Ca -0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3i8i h ALA 94 Cb 1.08 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3i8i h ALA 94 CO 1.04 -0.22 0.00 -2.13 0.00 0.00 0.00 179.25 177.94 3i8i n ARG 95 N -2.96 0.00 -3.93 0.00 3.00 -1.26 -4.98 116.66 106.53 3i8i n ARG 95 Ca -0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.76 3i8i n ARG 95 Cb 0.04 -0.40 -0.08 0.00 0.00 0.00 0.00 32.46 32.01 3i8i n ARG 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 3i8i s ARG 96 N -0.54 0.75 -0.03 -0.14 3.52 -1.26 -5.12 118.95 116.14 3i8i s ARG 96 Ca 0.00 -1.01 -0.01 0.00 -0.13 0.00 0.00 55.73 54.58 3i8i s ARG 96 Cb 0.00 0.29 -0.01 0.00 -1.56 0.00 0.00 34.95 33.68 3i8i s ARG 96 CO 0.00 -0.21 0.12 0.00 -0.81 0.00 0.00 175.30 174.40 3i8i h ALA 97 N 2.96 -0.12 -2.47 6.12 0.00 -1.96 -3.44 119.26 120.35 3i8i h ALA 97 Ca -0.34 -0.01 -0.62 0.00 0.00 0.00 0.00 54.91 53.94 3i8i h ALA 97 Cb 1.18 0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.86 3i8i h ALA 97 CO 0.58 -0.11 0.08 0.15 0.00 0.00 0.00 179.25 179.95 3i8i s LYS 98 N -1.48 3.95 -0.74 0.00 3.01 -1.26 -4.65 119.74 118.57 3i8i s LYS 98 Ca -0.01 0.29 0.03 0.00 -1.01 0.00 0.00 55.97 55.27 3i8i s LYS 98 Cb 0.00 -3.70 0.33 0.00 -1.01 0.00 0.00 37.83 33.45 3i8i s LYS 98 CO 0.02 -0.49 1.23 1.47 0.51 0.00 0.00 175.35 178.09 3i8i n LEU 99 N 5.74 5.42 0.22 3.17 -0.00 -0.74 -4.75 117.00 126.06 3i8i n LEU 99 Ca -0.02 -5.57 0.08 0.00 -0.00 0.00 0.00 56.01 50.50 3i8i n LEU 99 Cb 0.49 -0.78 0.51 0.00 -0.00 0.00 0.00 43.42 43.64 3i8i n LEU 99 CO 0.44 2.23 0.82 1.88 -0.00 0.00 0.00 177.39 182.76 3i8i h TYR 100 N 3.49 0.00 0.00 1.47 -1.99 -1.95 -3.08 116.97 114.92 3i8i h TYR 100 Ca 0.27 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.00 3i8i h TYR 100 Cb 0.45 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.18 3i8i h TYR 100 CO 1.00 0.25 0.30 0.27 -0.00 0.00 0.00 178.16 179.98 3i8i h PHE 101 N 0.00 0.00 -0.07 4.88 -0.00 -1.97 -0.45 116.94 119.34 3i8i h PHE 101 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 3i8i h PHE 101 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.55 3i8i h PHE 101 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 178.31 178.75 3i8i n ILE 102 N -2.19 0.08 1.21 0.88 -5.35 -1.16 -3.13 119.36 109.70 3i8i n ILE 102 Ca -0.01 -0.14 0.14 0.00 -0.27 0.00 0.00 62.75 62.47 3i8i n ILE 102 Cb 0.33 -0.02 0.57 0.00 -1.74 0.00 0.00 39.64 38.78 3i8i n ILE 102 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3i8i n ARG 103 N -0.34 0.30 -0.57 6.28 1.74 -0.18 -3.16 116.66 120.73 3i8i n ARG 103 Ca 0.15 -0.08 0.05 0.00 -0.77 0.00 0.00 57.85 57.20 3i8i n ARG 103 Cb 0.17 -1.50 0.26 0.00 -1.02 0.00 0.00 32.46 30.37 3i8i n ARG 103 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3i8i n ASN 104 N -1.28 3.83 0.00 0.55 3.02 -1.18 -4.79 115.26 115.41 3i8i n ASN 104 Ca 0.10 -3.16 0.00 0.00 -0.03 0.00 0.00 54.58 51.50 3i8i n ASN 104 Cb 0.30 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.89 3i8i n ASN 104 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i8i n LEU 105 N -0.54 0.00 -1.75 3.41 -0.00 -1.19 -5.01 117.00 111.92 3i8i n LEU 105 Ca 0.25 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 56.17 3i8i n LEU 105 Cb 0.98 0.00 0.24 0.00 -0.00 0.00 0.00 43.42 44.64 3i8i n LEU 105 CO 0.19 0.00 1.00 -1.54 -0.00 0.00 0.00 177.39 177.04 3i8i n SER 106 N 0.00 3.86 -1.88 1.45 3.41 -1.25 -3.59 113.62 115.62 3i8i n SER 106 Ca 0.00 -3.45 0.00 0.00 -0.26 0.00 0.00 58.87 55.16 3i8i n SER 106 Cb 0.00 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.22 3i8i n SER 106 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3i8i n ASP 107 N -0.72 0.09 0.01 4.04 5.75 -1.26 -4.76 116.55 119.70 3i8i n ASP 107 Ca 0.43 -0.94 0.18 0.00 -0.01 0.00 0.00 54.79 54.44 3i8i n ASP 107 Cb 1.34 0.00 0.32 0.00 -1.03 0.00 0.00 41.12 41.75 3i8i n ASP 107 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 3i8i h ARG 108 N 0.00 0.00 0.00 0.11 2.43 -1.92 1.66 114.38 116.65 3i8i h ARG 108 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3i8i h ARG 108 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3i8i h ARG 108 CO 0.00 0.00 -0.55 0.93 -1.51 0.00 0.00 179.97 178.84 3i8i h GLU 109 N 0.00 0.00 -0.33 0.20 4.39 -1.91 -3.22 114.58 113.71 3i8i h GLU 109 Ca 0.29 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.89 3i8i h GLU 109 Cb 2.44 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 31.07 3i8i h GLU 109 CO -0.00 0.00 -0.23 0.97 -1.16 0.00 0.00 179.01 178.58 3i8i h ILE 110 N 0.00 1.27 -3.76 3.13 6.09 0.24 -3.36 117.51 121.12 3i8i h ILE 110 Ca 0.00 -1.30 -0.36 0.00 -1.37 0.00 0.00 64.86 61.83 3i8i h ILE 110 Cb 0.76 1.27 0.13 0.00 0.47 0.00 0.00 36.82 39.45 3i8i h ILE 110 CO 0.00 0.43 0.31 -2.11 -3.07 0.00 0.00 178.15 173.70 3i8i n ARG 111 N -4.12 -0.91 -0.89 2.19 1.85 -1.22 -3.37 116.66 110.21 3i8i n ARG 111 Ca -0.00 -1.78 -0.05 0.00 -1.00 0.00 0.00 57.85 55.02 3i8i n ARG 111 Cb 0.42 -1.04 -0.02 0.00 -1.05 0.00 0.00 32.46 30.77 3i8i n ARG 111 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 3i8i n ARG 112 N -3.20 -1.69 0.00 2.89 1.85 -1.26 -4.19 116.66 111.07 3i8i n ARG 112 Ca 0.14 0.45 0.00 0.00 -1.00 0.00 0.00 57.85 57.44 3i8i n ARG 112 Cb 0.48 -4.32 0.00 0.00 -1.05 0.00 0.00 32.46 27.57 3i8i n ARG 112 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 3i8i n LYS 113 N -0.42 3.71 -3.40 2.89 3.00 -1.24 -4.80 118.16 117.89 3i8i n LYS 113 Ca -0.05 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 57.99 3i8i n LYS 113 Cb 0.32 -0.44 -0.10 0.00 0.00 0.00 0.00 35.03 34.81 3i8i n LYS 113 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3i8i s LEU 114 N -0.55 1.21 -0.74 3.14 1.43 -1.22 -4.83 118.68 117.13 3i8i s LEU 114 Ca 0.00 -2.80 -0.01 0.00 -1.03 0.00 0.00 54.13 50.29 3i8i s LEU 114 Cb 0.00 -0.37 0.39 0.00 0.03 0.00 0.00 46.19 46.24 3i8i s LEU 114 CO 0.00 -0.21 1.92 -1.14 0.23 0.00 0.00 176.35 177.16 3i8i n ARG 115 N 3.17 2.82 -1.49 1.70 0.63 -1.26 -4.72 116.66 117.52 3i8i n ARG 115 Ca 0.25 -3.55 0.00 0.00 -0.92 0.00 0.00 57.85 53.62 3i8i n ARG 115 Cb 0.45 -2.28 0.00 0.00 0.45 0.00 0.00 32.46 31.09 3i8i n ARG 115 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i8i n ALA 116 N -0.66 -2.27 -3.19 5.13 0.00 -1.22 -4.82 120.51 113.48 3i8i n ALA 116 Ca 0.55 0.36 -0.45 0.00 0.00 0.00 0.00 53.44 53.90 3i8i n ALA 116 Cb 0.43 -1.23 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 3i8i n ALA 116 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i8i s ASP 117 N -1.39 7.00 0.14 0.00 3.68 0.24 -4.43 116.67 121.91 3i8i s ASP 117 Ca 0.00 -2.97 -0.30 0.00 2.13 0.00 0.00 52.55 51.41 3i8i s ASP 117 Cb 0.00 -2.28 -0.08 0.00 -1.45 0.00 0.00 42.92 39.11 3i8i s ASP 117 CO 0.00 -0.58 1.51 0.03 0.13 0.00 0.00 175.17 176.25 3i8i h ARG 118 N 7.43 -0.18 -0.58 4.34 2.47 -1.87 0.66 114.38 126.64 3i8i h ARG 118 Ca 0.18 0.01 0.09 0.00 -1.26 0.00 0.00 59.98 59.01 3i8i h ARG 118 Cb 0.95 0.04 -0.10 0.00 -1.65 0.00 0.00 29.97 29.21 3i8i h ARG 118 CO 1.00 -0.12 -0.22 1.17 0.56 0.00 0.00 179.97 182.37 3i8i n LYS 119 N -5.15 -0.12 0.10 0.04 4.81 -1.26 0.94 118.16 117.51 3i8i n LYS 119 Ca -0.01 0.90 -0.21 0.00 -0.87 0.00 0.00 58.31 58.12 3i8i n LYS 119 Cb 0.28 -1.34 -0.15 0.00 0.02 0.00 0.00 35.03 33.84 3i8i n LYS 119 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i8i h ARG 120 N 0.00 0.40 -0.84 1.64 3.08 -1.82 -3.21 114.38 113.63 3i8i h ARG 120 Ca 0.21 -0.68 0.14 0.00 0.07 0.00 0.00 59.98 59.72 3i8i h ARG 120 Cb 0.36 0.25 -0.06 0.00 0.08 0.00 0.00 29.97 30.60 3i8i h ARG 120 CO -0.58 1.30 0.55 0.82 -1.07 0.00 0.00 179.97 180.99 3i8i h ILE 121 N 0.11 0.85 -0.12 2.04 2.04 0.21 0.35 117.51 122.99 3i8i h ILE 121 Ca -0.27 -0.22 -0.10 0.00 1.00 0.00 0.00 64.86 65.28 3i8i h ILE 121 Cb 2.09 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 3i8i h ILE 121 CO 0.21 0.12 -0.36 0.44 0.00 0.00 0.00 178.15 178.55 3i8i h ASP 122 N 0.63 0.25 0.00 1.72 3.32 0.52 -3.35 116.42 119.52 3i8i h ASP 122 Ca 0.41 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.37 3i8i h ASP 122 Cb 0.70 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.18 3i8i h ASP 122 CO -0.17 0.60 0.00 0.00 -1.72 0.00 0.00 179.24 177.95 3i8i n GLN 123 N -4.07 0.00 0.00 3.56 6.02 0.12 -2.61 117.38 120.40 3i8i n GLN 123 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 3i8i n GLN 123 Cb 0.44 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.70 3i8i n GLN 123 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3i8i n ASP 124 N 0.00 0.00 0.05 1.08 9.92 -1.16 0.73 116.55 127.17 3i8i n ASP 124 Ca 0.00 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.13 3i8i n ASP 124 Cb 0.00 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.39 3i8i n ASP 124 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 3i8i h ARG 125 N 0.00 -0.10 -0.09 -1.24 2.43 -1.73 1.36 114.38 115.00 3i8i h ARG 125 Ca 0.00 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 3i8i h ARG 125 Cb 0.00 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3i8i h ARG 125 CO 0.00 0.20 0.12 0.00 -1.51 0.00 0.00 179.97 178.78 3i8i h ALA 126 N 0.47 1.61 0.00 2.80 0.00 0.57 0.81 119.26 125.52 3i8i h ALA 126 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i8i h ALA 126 Cb 0.35 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3i8i h ALA 126 CO 0.02 -0.16 -0.94 0.00 0.00 0.00 0.00 179.25 178.17 3i8i n ALA 127 N -2.29 4.34 -0.02 0.00 0.00 -0.95 -3.40 120.51 118.20 3i8i n ALA 127 Ca -0.01 -0.53 -0.11 0.00 0.00 0.00 0.00 53.44 52.79 3i8i n ALA 127 Cb 0.22 -0.86 -0.14 0.00 0.00 0.00 0.00 19.45 18.67 3i8i n ALA 127 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i8i n GLU 128 N -1.56 0.66 0.04 0.00 0.00 0.46 -3.34 120.64 116.91 3i8i n GLU 128 Ca 0.04 0.28 -0.10 0.00 0.00 0.00 0.00 57.16 57.38 3i8i n GLU 128 Cb 0.35 -1.76 -0.13 0.00 0.00 0.00 0.00 31.44 29.89 3i8i n GLU 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i8i h ARG 129 N 0.01 0.07 -0.14 5.31 2.47 -0.27 -3.06 114.38 118.78 3i8i h ARG 129 Ca -0.33 -0.12 -0.01 0.00 -1.26 0.00 0.00 59.98 58.26 3i8i h ARG 129 Cb 2.03 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 30.39 3i8i h ARG 129 CO 0.08 0.91 0.05 0.00 0.56 0.00 0.00 179.97 181.57 3i8i h ALA 130 N 0.86 0.18 0.00 0.04 0.00 -1.70 -1.62 119.26 117.03 3i8i h ALA 130 Ca -0.14 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3i8i h ALA 130 Cb 1.90 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.63 3i8i h ALA 130 CO 0.13 -0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.16 3i8i n ALA 131 N -2.23 1.87 0.09 0.00 0.00 -1.21 -0.45 120.51 118.58 3i8i n ALA 131 Ca -0.05 -0.07 -0.07 0.00 0.00 0.00 0.00 53.44 53.25 3i8i n ALA 131 Cb 0.13 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.26 3i8i n ALA 131 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3i8i h LYS 132 N 0.00 0.06 0.04 0.00 3.64 -1.19 -3.34 116.57 115.79 3i8i h LYS 132 Ca 0.00 -0.08 -0.38 0.00 -1.27 0.00 0.00 60.65 58.92 3i8i h LYS 132 Cb 0.25 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.05 3i8i h LYS 132 CO 0.00 0.92 -2.18 0.39 -2.27 0.00 0.00 179.45 176.30 3i8i n GLU 133 N -3.54 0.67 0.00 1.90 1.02 -0.66 -3.77 120.64 116.27 3i8i n GLU 133 Ca -0.02 0.26 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 3i8i n GLU 133 Cb 0.84 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 3i8i n GLU 133 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3i8i n GLU 134 N -3.64 0.25 0.00 3.49 -0.58 0.40 -2.51 120.64 118.05 3i8i n GLU 134 Ca -0.41 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.33 3i8i n GLU 134 Cb 0.95 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 30.51 3i8i n GLU 134 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i8i n ALA 135 N 0.76 1.58 0.35 0.62 0.00 -1.25 -4.96 120.51 117.60 3i8i n ALA 135 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 3i8i n ALA 135 Cb 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.48 3i8i n ALA 135 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 3i8i h GLN 136 N 0.00 -0.85 0.00 0.00 3.07 -1.58 -3.52 115.11 112.23 3i8i h GLN 136 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 58.65 58.80 3i8i h GLN 136 Cb 0.00 0.19 0.00 0.00 0.08 0.00 0.00 27.48 27.75 3i8i h GLN 136 CO 0.00 -0.53 0.00 1.63 0.09 0.00 0.00 178.83 180.02