#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mr6 s GLN 2 N 0.00 0.71 -0.23 3.17 -0.21 -1.26 -3.01 119.66 118.82 1mr6 s GLN 2 Ca 0.00 1.18 -0.06 0.00 0.02 0.00 0.00 55.36 56.50 1mr6 s GLN 2 Cb 0.00 0.16 0.12 0.00 1.00 0.00 0.00 33.01 34.29 1mr6 s GLN 2 CO 0.00 -0.14 0.46 0.00 -2.12 0.00 0.00 175.29 173.49 1mr6 n LYS 4 N 5.40 0.10 -2.69 0.00 4.01 -0.90 -4.49 118.16 119.59 1mr6 n LYS 4 Ca -0.07 0.05 -0.06 0.00 -0.51 0.00 0.00 58.31 57.71 1mr6 n LYS 4 Cb 0.50 -1.24 0.11 0.00 -0.51 0.00 0.00 35.03 33.89 1mr6 n LYS 4 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1mr6 n THR 5 N -1.95 0.12 -0.09 -0.18 -2.24 -1.26 -4.21 114.28 104.46 1mr6 n THR 5 Ca 0.06 -1.60 0.00 0.00 -2.27 0.00 0.00 64.05 60.25 1mr6 n THR 5 Cb 0.50 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 1mr6 n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mr6 n SER 7 N 0.00 0.41 -4.98 0.00 2.88 -1.26 -3.19 113.62 107.48 1mr6 n SER 7 Ca 0.00 -1.03 -0.19 0.00 -1.33 0.00 0.00 58.87 56.32 1mr6 n SER 7 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 1mr6 n SER 7 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1mr6 s PHE 8 N -0.03 2.46 -0.51 0.66 0.08 -1.26 -4.79 117.98 114.59 1mr6 s PHE 8 Ca 0.00 -0.36 0.16 0.00 0.12 0.00 0.00 56.93 56.85 1mr6 s PHE 8 Cb 0.00 -2.48 0.81 0.00 -0.57 0.00 0.00 43.02 40.78 1mr6 s PHE 8 CO 0.00 -0.77 1.49 0.98 -0.10 0.00 0.00 175.22 176.83 1mr6 n TYR 9 N -2.12 0.51 -3.93 0.36 9.36 -1.26 -4.73 117.16 115.36 1mr6 n TYR 9 Ca 0.10 0.25 -0.09 0.00 3.32 0.00 0.00 57.90 61.48 1mr6 n TYR 9 Cb 0.60 -0.90 -0.05 0.00 -0.63 0.00 0.00 39.34 38.36 1mr6 n TYR 9 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 1mr6 s THR 10 N -3.33 0.02 -0.16 2.97 -1.32 -1.26 -5.07 115.64 107.49 1mr6 s THR 10 Ca 0.00 -1.25 0.01 0.00 -1.21 0.00 0.00 61.69 59.23 1mr6 s THR 10 Cb 0.06 -1.98 0.02 0.00 -1.51 0.00 0.00 72.50 69.09 1mr6 s THR 10 CO 0.19 -0.09 -0.16 0.00 -2.21 0.00 0.00 174.62 172.35 1mr6 h PRO 12 N 8.01 0.00 -5.37 0.00 0.13 -2.00 -3.45 132.00 129.32 1mr6 h PRO 12 Ca -0.40 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.12 1mr6 h PRO 12 Cb 1.14 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.13 1mr6 h PRO 12 CO 0.56 0.00 -0.57 -0.80 -0.23 0.00 0.00 178.00 176.97 1mr6 s ASN 13 N -6.02 3.57 0.12 1.44 0.01 -1.26 -5.14 114.94 107.65 1mr6 s ASN 13 Ca 0.05 -1.50 -0.04 0.00 -0.71 0.00 0.00 52.86 50.67 1mr6 s ASN 13 Cb 0.06 0.05 -0.05 0.00 0.41 0.00 0.00 41.25 41.72 1mr6 s ASN 13 CO 0.63 -0.66 0.33 -0.44 -1.51 0.00 0.00 177.10 175.45 1mr6 s SER 14 N -3.71 6.46 -0.23 -1.22 0.01 -1.26 -4.98 113.70 108.77 1mr6 s SER 14 Ca 0.25 0.51 -0.01 0.00 1.31 0.00 0.00 55.95 58.01 1mr6 s SER 14 Cb 0.06 -2.06 0.07 0.00 0.21 0.00 0.00 66.02 64.30 1mr6 s SER 14 CO 0.12 0.09 0.01 -0.70 0.41 0.00 0.00 173.24 173.17 1mr6 s GLU 15 N -2.59 1.06 0.91 12.44 -6.30 -1.26 -4.97 118.70 117.99 1mr6 s GLU 15 Ca 0.39 -0.77 -0.13 0.00 -2.50 0.00 0.00 54.97 51.96 1mr6 s GLU 15 Cb -0.12 -2.31 0.14 0.00 0.00 0.00 0.00 34.13 31.84 1mr6 s GLU 15 CO 0.25 -0.68 1.15 0.99 0.02 0.00 0.00 175.26 176.99 1mr6 s THR 16 N 1.62 1.99 0.31 -1.70 2.01 -1.26 -0.83 115.64 117.77 1mr6 s THR 16 Ca -0.01 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.06 1mr6 s THR 16 Cb -0.18 -2.78 -0.03 0.00 0.01 0.00 0.00 72.50 69.52 1mr6 s THR 16 CO -0.10 0.00 0.24 0.00 -0.69 0.00 0.00 174.62 174.08 1mr6 s PRO 18 N -3.93 -0.35 -0.16 0.00 0.04 -1.26 -4.70 135.00 124.64 1mr6 s PRO 18 Ca 0.38 -0.23 -0.02 0.00 0.04 0.00 0.00 61.00 61.17 1mr6 s PRO 18 Cb -0.06 -1.71 0.03 0.00 0.04 0.00 0.00 34.50 32.79 1mr6 s PRO 18 CO 0.26 -3.10 2.40 -0.25 0.04 0.00 0.00 177.00 176.34 1mr6 n ASP 19 N -4.29 5.84 0.00 6.66 9.92 -1.26 -3.64 116.55 129.78 1mr6 n ASP 19 Ca 0.14 -2.74 0.00 0.00 -0.53 0.00 0.00 54.79 51.66 1mr6 n ASP 19 Cb 0.59 -1.17 0.00 0.00 -0.64 0.00 0.00 41.12 39.90 1mr6 n ASP 19 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1mr6 n GLY 20 N 1.23 0.08 0.00 0.44 0.00 -1.26 -5.11 105.19 100.56 1mr6 n GLY 20 Ca 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1mr6 n GLY 20 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1mr6 n LYS 21 N -1.36 0.18 -0.05 1.61 3.00 -1.24 -5.04 118.16 115.26 1mr6 n LYS 21 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1mr6 n LYS 21 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1mr6 n LYS 21 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1mr6 n ASN 22 N -2.29 0.00 -3.29 3.14 3.02 -1.21 -4.90 115.26 109.73 1mr6 n ASN 22 Ca 0.00 -0.72 -0.08 0.00 -0.03 0.00 0.00 54.58 53.75 1mr6 n ASN 22 Cb 0.00 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.18 1mr6 n ASN 22 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1mr6 s ILE 23 N 0.00 0.00 -0.02 2.41 1.01 0.20 -4.88 121.20 119.91 1mr6 s ILE 23 Ca 0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 60.65 59.64 1mr6 s ILE 23 Cb 0.00 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.88 1mr6 s ILE 23 CO 0.00 0.00 0.15 0.00 0.00 0.00 0.00 174.94 175.09 1mr6 s VAL 25 N -1.25 0.06 0.02 0.00 -7.23 -0.95 -2.39 120.40 108.66 1mr6 s VAL 25 Ca 0.25 -0.53 -0.03 0.00 -1.81 0.00 0.00 61.98 59.86 1mr6 s VAL 25 Cb -0.12 -0.64 -0.01 0.00 0.56 0.00 0.00 36.38 36.16 1mr6 s VAL 25 CO 0.16 -0.29 0.03 -0.54 -0.31 0.00 0.00 175.10 174.14 1mr6 s LYS 26 N -1.50 0.39 -0.13 4.82 1.02 0.09 -2.78 119.74 121.64 1mr6 s LYS 26 Ca -0.13 -0.57 0.02 0.00 0.02 0.00 0.00 55.97 55.32 1mr6 s LYS 26 Cb -0.05 0.15 0.00 0.00 -0.52 0.00 0.00 37.83 37.41 1mr6 s LYS 26 CO 0.03 -0.08 -0.19 1.03 -0.92 0.00 0.00 175.35 175.22 1mr6 s ARG 27 N -1.55 3.14 -0.26 1.68 3.00 -0.68 -2.57 118.95 121.70 1mr6 s ARG 27 Ca -0.15 -0.81 -0.02 0.00 0.00 0.00 0.00 55.73 54.76 1mr6 s ARG 27 Cb -0.08 -2.49 0.08 0.00 0.00 0.00 0.00 34.95 32.46 1mr6 s ARG 27 CO -0.01 0.07 0.06 -1.54 0.00 0.00 0.00 175.30 173.89 1mr6 s SER 28 N 0.64 3.54 0.30 0.23 1.04 -1.12 -1.85 113.70 116.48 1mr6 s SER 28 Ca -0.10 -1.25 0.03 0.00 0.48 0.00 0.00 55.95 55.11 1mr6 s SER 28 Cb -0.16 -0.74 -0.06 0.00 0.10 0.00 0.00 66.02 65.15 1mr6 s SER 28 CO 0.02 -0.36 0.05 -1.66 0.98 0.00 0.00 173.24 172.27 1mr6 s TRP 29 N 1.73 1.83 -1.50 5.02 -2.14 -0.71 -1.64 118.94 121.54 1mr6 s TRP 29 Ca 0.04 -0.98 0.12 0.00 2.66 0.00 0.00 56.10 57.95 1mr6 s TRP 29 Cb -0.17 -1.15 0.12 0.00 -3.10 0.00 0.00 33.47 29.17 1mr6 s TRP 29 CO -0.18 -0.04 0.93 -2.37 -2.66 0.00 0.00 176.95 172.63 1mr6 n THR 30 N -0.60 0.10 -1.72 0.66 5.66 -1.26 -0.08 114.28 117.05 1mr6 n THR 30 Ca -0.02 -0.55 -0.41 0.00 -3.05 0.00 0.00 64.05 60.01 1mr6 n THR 30 Cb 0.66 1.18 0.01 0.00 -1.55 0.00 0.00 70.33 70.63 1mr6 n THR 30 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1mr6 n ALA 31 N 0.69 1.49 -2.00 1.79 0.00 -1.26 -4.60 120.51 116.61 1mr6 n ALA 31 Ca 0.08 0.28 -0.31 0.00 0.00 0.00 0.00 53.44 53.49 1mr6 n ALA 31 Cb 0.32 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.45 1mr6 n ALA 31 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1mr6 s VAL 32 N -1.18 4.68 0.00 0.00 1.01 -1.26 -4.59 120.40 119.06 1mr6 s VAL 32 Ca 0.60 0.88 0.00 0.00 0.00 0.00 0.00 61.98 63.46 1mr6 s VAL 32 Cb -0.50 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.12 1mr6 s VAL 32 CO 0.59 -0.70 0.00 0.54 0.00 0.00 0.00 175.10 175.53 1mr6 n ARG 33 N -1.68 0.00 0.00 2.72 1.74 -1.26 -5.08 116.66 113.10 1mr6 n ARG 33 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1mr6 n ARG 33 Cb 0.54 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.98 1mr6 n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1mr6 n GLY 34 N 3.45 0.73 2.21 -0.13 0.00 -1.26 -4.93 105.19 105.26 1mr6 n GLY 34 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1mr6 n GLY 34 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mr6 n ASP 35 N -0.18 0.44 -3.15 1.61 5.75 -1.26 -5.03 116.55 114.72 1mr6 n ASP 35 Ca 0.00 -2.75 0.04 0.00 -0.01 0.00 0.00 54.79 52.07 1mr6 n ASP 35 Cb 0.00 -0.64 -0.00 0.00 -1.03 0.00 0.00 41.12 39.44 1mr6 n ASP 35 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1mr6 s GLY 36 N -1.29 -1.05 -0.69 6.12 0.00 -1.26 -5.11 107.32 104.05 1mr6 s GLY 36 Ca 0.35 1.62 -0.27 0.00 0.00 0.00 0.00 44.72 46.42 1mr6 s GLY 36 CO -0.10 3.67 1.26 2.56 0.00 0.00 0.00 173.10 180.48 1mr6 s PRO 37 N 2.87 3.29 0.00 2.90 0.04 -1.26 -4.56 135.00 138.27 1mr6 s PRO 37 Ca 0.15 -0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.12 1mr6 s PRO 37 Cb -0.10 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.31 1mr6 s PRO 37 CO -0.23 -2.01 0.00 1.17 0.04 0.00 0.00 177.00 175.98 1mr6 n LYS 38 N 9.08 -2.68 -2.54 4.56 4.81 -1.26 -5.08 118.16 125.04 1mr6 n LYS 38 Ca 0.05 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.08 1mr6 n LYS 38 Cb 0.49 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.51 1mr6 n LYS 38 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1mr6 s ARG 39 N -1.68 3.30 0.23 1.64 3.52 -1.26 -4.51 118.95 120.18 1mr6 s ARG 39 Ca 0.00 -0.49 -0.30 0.00 -0.13 0.00 0.00 55.73 54.81 1mr6 s ARG 39 Cb 0.00 -4.54 -0.09 0.00 -1.56 0.00 0.00 34.95 28.76 1mr6 s ARG 39 CO 0.00 -2.18 1.32 -1.21 -0.81 0.00 0.00 175.30 172.42 1mr6 s GLU 40 N 5.54 4.38 0.44 5.12 0.41 0.89 -4.70 118.70 130.77 1mr6 s GLU 40 Ca 0.39 2.10 0.04 0.00 -0.41 0.00 0.00 54.97 57.08 1mr6 s GLU 40 Cb -0.06 -3.17 -0.02 0.00 -1.78 0.00 0.00 34.13 29.11 1mr6 s GLU 40 CO 0.08 -0.25 0.13 0.96 -0.49 0.00 0.00 175.26 175.69 1mr6 s ILE 41 N -0.12 0.55 0.11 -1.63 -4.36 -1.26 -1.73 121.20 112.77 1mr6 s ILE 41 Ca 0.55 -2.00 -0.26 0.00 -0.26 0.00 0.00 60.65 58.68 1mr6 s ILE 41 Cb -0.37 -2.24 0.08 0.00 1.25 0.00 0.00 42.46 41.17 1mr6 s ILE 41 CO 0.41 0.00 1.04 -0.60 0.24 0.00 0.00 174.94 176.03 1mr6 s ARG 42 N -3.67 1.01 0.18 0.37 3.52 -0.77 -4.93 118.95 114.65 1mr6 s ARG 42 Ca 0.19 -0.56 -0.05 0.00 -0.13 0.00 0.00 55.73 55.19 1mr6 s ARG 42 Cb 0.01 0.34 -0.03 0.00 -1.56 0.00 0.00 34.95 33.71 1mr6 s ARG 42 CO 0.14 -0.46 0.20 1.03 -0.81 0.00 0.00 175.30 175.39 1mr6 s ARG 43 N -3.03 1.17 0.00 5.12 3.00 -1.19 -1.69 118.95 122.32 1mr6 s ARG 43 Ca 0.13 -1.41 0.00 0.00 0.00 0.00 0.00 55.73 54.45 1mr6 s ARG 43 Cb 0.00 0.32 0.00 0.00 0.00 0.00 0.00 34.95 35.27 1mr6 s ARG 43 CO 0.01 -0.40 0.00 -1.91 0.00 0.00 0.00 175.30 173.00 1mr6 n GLU 44 N -0.23 -0.21 -3.38 3.54 2.13 -1.12 -4.69 120.64 116.69 1mr6 n GLU 44 Ca -0.03 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.46 1mr6 n GLU 44 Cb 0.64 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.29 1mr6 n GLU 44 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1mr6 s ALA 46 N -1.75 -0.86 -0.30 0.00 0.00 -0.60 -4.90 121.76 113.34 1mr6 s ALA 46 Ca 0.46 -0.68 0.22 0.00 0.00 0.00 0.00 51.96 51.96 1mr6 s ALA 46 Cb -0.12 0.69 0.12 0.00 0.00 0.00 0.00 23.12 23.81 1mr6 s ALA 46 CO 0.20 -1.00 1.26 0.00 0.00 0.00 0.00 175.76 176.22 1mr6 h ALA 47 N 2.00 0.70 -2.04 0.00 0.00 -1.90 0.56 119.26 118.58 1mr6 h ALA 47 Ca -0.31 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1mr6 h ALA 47 Cb 1.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1mr6 h ALA 47 CO 0.39 0.06 0.00 0.25 0.00 0.00 0.00 179.25 179.95 1mr6 n THR 48 N -2.86 0.00 -2.86 0.00 -2.24 -1.26 -4.76 114.28 100.31 1mr6 n THR 48 Ca 0.01 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.36 1mr6 n THR 48 Cb 0.56 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.75 1mr6 n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mr6 s PRO 50 N 3.71 -1.12 0.11 0.00 0.04 -1.26 -4.97 135.00 131.51 1mr6 s PRO 50 Ca 0.34 0.24 -0.30 0.00 0.04 0.00 0.00 61.00 61.32 1mr6 s PRO 50 Cb -0.11 -1.58 -0.06 0.00 0.04 0.00 0.00 34.50 32.79 1mr6 s PRO 50 CO 0.24 -3.71 1.09 -1.25 0.04 0.00 0.00 177.00 173.41 1mr6 s PRO 51 N -5.09 4.56 0.50 0.56 0.04 -1.26 -4.81 135.00 129.51 1mr6 s PRO 51 Ca 0.69 1.65 -0.02 0.00 0.04 0.00 0.00 61.00 63.36 1mr6 s PRO 51 Cb -0.15 -3.34 0.10 0.00 0.04 0.00 0.00 34.50 31.16 1mr6 s PRO 51 CO 0.58 -0.02 0.69 0.43 0.04 0.00 0.00 177.00 178.72 1mr6 n SER 52 N 3.08 0.73 0.00 6.66 7.64 -1.26 -5.06 113.62 125.42 1mr6 n SER 52 Ca 0.05 -1.66 0.00 0.00 1.01 0.00 0.00 58.87 58.26 1mr6 n SER 52 Cb 0.47 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 1mr6 n SER 52 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1mr6 n LYS 53 N -2.31 0.00 -0.08 1.43 5.02 -1.26 -4.94 118.16 116.02 1mr6 n LYS 53 Ca 0.11 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.38 1mr6 n LYS 53 Cb 0.38 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.37 1mr6 n LYS 53 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1mr6 n LEU 54 N -0.31 -0.19 0.00 -0.35 -0.00 -1.26 -4.47 117.00 110.41 1mr6 n LEU 54 Ca 0.00 0.87 0.00 0.00 -0.00 0.00 0.00 56.01 56.88 1mr6 n LEU 54 Cb 0.00 -0.31 0.00 0.00 -0.00 0.00 0.00 43.42 43.11 1mr6 n LEU 54 CO 0.00 -0.54 0.00 0.61 -0.00 0.00 0.00 177.39 177.46 1mr6 n GLY 55 N -1.05 0.00 3.77 1.47 0.00 -1.26 -5.08 105.19 103.04 1mr6 n GLY 55 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1mr6 n GLY 55 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1mr6 s LEU 56 N 0.00 4.35 -0.23 0.99 2.96 -1.26 -4.41 118.68 121.09 1mr6 s LEU 56 Ca 0.00 2.03 -0.04 0.00 -0.22 0.00 0.00 54.13 55.90 1mr6 s LEU 56 Cb 0.00 -3.93 -0.01 0.00 0.50 0.00 0.00 46.19 42.75 1mr6 s LEU 56 CO 0.00 -0.22 -0.03 -0.89 -1.32 0.00 0.00 176.35 173.89 1mr6 s THR 57 N -1.47 3.44 0.36 3.68 2.01 -0.65 -4.68 115.64 118.33 1mr6 s THR 57 Ca 0.50 -0.51 -0.24 0.00 0.31 0.00 0.00 61.69 61.75 1mr6 s THR 57 Cb -0.24 -2.59 -0.10 0.00 0.01 0.00 0.00 72.50 69.58 1mr6 s THR 57 CO 0.30 0.39 0.95 -0.69 -0.69 0.00 0.00 174.62 174.88 1mr6 s VAL 58 N 1.48 4.24 -0.30 3.82 1.01 -1.26 -2.80 120.40 126.59 1mr6 s VAL 58 Ca 0.05 1.70 -0.01 0.00 0.00 0.00 0.00 61.98 63.72 1mr6 s VAL 58 Cb -0.15 -3.87 0.12 0.00 0.00 0.00 0.00 36.38 32.49 1mr6 s VAL 58 CO -0.03 -0.00 0.24 0.12 0.00 0.00 0.00 175.10 175.43 1mr6 s PHE 59 N -1.78 -0.11 0.00 5.22 5.36 -1.06 -4.92 117.98 120.68 1mr6 s PHE 59 Ca 0.54 -0.54 0.00 0.00 -0.96 0.00 0.00 56.93 55.97 1mr6 s PHE 59 Cb -0.16 -0.64 0.00 0.00 -0.34 0.00 0.00 43.02 41.88 1mr6 s PHE 59 CO 0.21 -0.89 0.00 0.00 -1.46 0.00 0.00 175.22 173.08 1mr6 n THR 62 N -0.02 2.17 -3.58 0.00 -2.24 -1.26 -2.39 114.28 106.96 1mr6 n THR 62 Ca 0.00 -5.13 -0.14 0.00 -2.27 0.00 0.00 64.05 56.51 1mr6 n THR 62 Cb 0.00 -2.12 -0.06 0.00 -2.10 0.00 0.00 70.33 66.05 1mr6 n THR 62 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1mr6 s THR 63 N -2.24 0.00 0.04 4.28 -4.23 -1.26 -5.05 115.64 107.18 1mr6 s THR 63 Ca 0.36 0.00 -0.36 0.00 -1.18 0.00 0.00 61.69 60.51 1mr6 s THR 63 Cb 0.11 -1.00 -0.16 0.00 1.34 0.00 0.00 72.50 72.79 1mr6 s THR 63 CO -0.05 0.00 1.48 -0.90 -0.54 0.00 0.00 174.62 174.61 1mr6 n ASP 64 N 1.58 2.14 -4.11 3.99 5.68 -1.23 -1.22 116.55 123.38 1mr6 n ASP 64 Ca -0.15 1.10 -0.28 0.00 -0.50 0.00 0.00 54.79 54.96 1mr6 n ASP 64 Cb 0.56 -1.24 -0.09 0.00 -1.14 0.00 0.00 41.12 39.22 1mr6 n ASP 64 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1mr6 n ASN 65 N 3.34 0.74 0.10 -1.12 0.23 0.55 -4.84 115.26 114.25 1mr6 n ASN 65 Ca 0.19 -1.14 -0.05 0.00 -0.53 0.00 0.00 54.58 53.06 1mr6 n ASN 65 Cb 0.21 -1.41 -0.02 0.00 -2.08 0.00 0.00 39.78 36.47 1mr6 n ASN 65 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1mr6 s ASN 67 N -5.11 4.20 0.00 0.00 4.22 -1.26 -4.97 114.94 112.01 1mr6 s ASN 67 Ca -0.05 -0.34 0.08 0.00 -2.14 0.00 0.00 52.86 50.41 1mr6 s ASN 67 Cb 0.00 -2.56 0.51 0.00 1.28 0.00 0.00 41.25 40.48 1mr6 s ASN 67 CO 0.15 -3.67 0.96 0.00 -2.04 0.00 0.00 177.10 172.49