#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 -0.18 3.17 -0.21 -1.26 -2.70 119.66 119.19 1mr6 s GLN 2 Ca 0.00 0.93 -0.24 0.00 0.02 0.00 0.00 55.36 56.07 1mr6 s GLN 2 Cb 0.00 0.30 0.06 0.00 1.00 0.00 0.00 33.01 34.37 1mr6 s GLN 2 CO 0.00 -0.10 0.63 0.00 -2.12 0.00 0.00 175.29 173.70 1mr6 s LYS 4 N -0.15 4.19 0.00 0.00 3.01 -1.24 -4.06 119.74 121.48 1mr6 s LYS 4 Ca -0.04 2.45 0.12 0.00 -1.01 0.00 0.00 55.97 57.49 1mr6 s LYS 4 Cb -0.03 -3.03 0.19 0.00 -1.01 0.00 0.00 37.83 33.95 1mr6 s LYS 4 CO 0.03 -0.47 1.03 0.25 0.51 0.00 0.00 175.35 176.70 1mr6 n THR 5 N 1.37 0.00 -1.13 2.17 -2.24 -1.26 -4.26 114.28 108.92 1mr6 n THR 5 Ca 0.04 -0.44 -0.29 0.00 -2.27 0.00 0.00 64.05 61.08 1mr6 n THR 5 Cb 0.39 0.68 0.20 0.00 -2.10 0.00 0.00 70.33 69.51 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 -4.43 3.41 -4.95 0.00 3.41 -1.26 -4.22 113.62 105.57 1mr6 n SER 7 Ca 0.08 -1.96 -0.23 0.00 -0.26 0.00 0.00 58.87 56.50 1mr6 n SER 7 Cb 0.58 -0.28 -0.00 0.00 -0.26 0.00 0.00 64.21 64.25 1mr6 n SER 7 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1mr6 s PHE 8 N -1.27 3.38 0.36 7.33 0.08 -1.26 -4.96 117.98 121.64 1mr6 s PHE 8 Ca 0.37 0.27 0.38 0.00 0.12 0.00 0.00 56.93 58.07 1mr6 s PHE 8 Cb 0.21 -2.04 1.94 0.00 -0.57 0.00 0.00 43.02 42.57 1mr6 s PHE 8 CO 0.29 -0.04 2.16 -0.92 -0.10 0.00 0.00 175.22 176.60 1mr6 h TYR 9 N 0.65 0.00 -1.87 0.36 3.20 -1.97 -3.40 116.97 113.93 1mr6 h TYR 9 Ca -0.48 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.43 1mr6 h TYR 9 Cb 1.23 0.00 -0.22 0.00 1.54 0.00 0.00 36.73 39.28 1mr6 h TYR 9 CO 0.48 0.00 -0.21 -0.08 -1.64 0.00 0.00 178.16 176.71 1mr6 s THR 10 N -3.91 -0.93 -0.33 1.81 -1.32 -1.26 -5.00 115.64 104.70 1mr6 s THR 10 Ca -0.03 0.02 -0.16 0.00 -1.21 0.00 0.00 61.69 60.32 1mr6 s THR 10 Cb 0.11 -0.94 -0.02 0.00 -1.51 0.00 0.00 72.50 70.14 1mr6 s THR 10 CO 0.42 0.01 0.40 0.00 -2.21 0.00 0.00 174.62 173.24 1mr6 h PRO 12 N 8.39 0.00 0.00 0.00 0.13 -1.99 -3.45 132.00 135.08 1mr6 h PRO 12 Ca -0.30 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.52 1mr6 h PRO 12 Cb 1.14 0.00 0.12 0.00 0.13 0.00 0.00 31.00 32.40 1mr6 h PRO 12 CO 0.70 0.20 0.29 0.09 -0.23 0.00 0.00 178.00 179.05 1mr6 n ASN 13 N -3.21 0.12 -4.58 1.44 3.02 -1.26 -5.06 115.26 105.73 1mr6 n ASN 13 Ca 0.02 -1.37 -0.34 0.00 -0.03 0.00 0.00 54.58 52.86 1mr6 n ASN 13 Cb 0.53 -0.72 -0.11 0.00 -0.61 0.00 0.00 39.78 38.87 1mr6 n ASN 13 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1mr6 s SER 14 N -4.48 4.76 -0.04 6.41 1.04 -1.26 -5.04 113.70 115.09 1mr6 s SER 14 Ca 0.54 -0.02 0.04 0.00 0.48 0.00 0.00 55.95 56.99 1mr6 s SER 14 Cb -0.01 -1.34 0.00 0.00 0.10 0.00 0.00 66.02 64.77 1mr6 s SER 14 CO 0.38 0.33 -0.14 -0.70 0.98 0.00 0.00 173.24 174.08 1mr6 s GLU 15 N -0.60 1.51 0.25 4.02 2.12 -1.26 -5.05 118.70 119.68 1mr6 s GLU 15 Ca 0.09 -0.49 0.03 0.00 0.36 0.00 0.00 54.97 54.96 1mr6 s GLU 15 Cb -0.12 -1.33 0.03 0.00 0.26 0.00 0.00 34.13 32.98 1mr6 s GLU 15 CO 0.02 0.18 0.28 2.41 -0.54 0.00 0.00 175.26 177.61 1mr6 n THR 16 N 3.24 0.00 -4.42 -1.70 -1.04 -1.26 -1.11 114.28 107.99 1mr6 n THR 16 Ca -0.18 -0.89 -0.21 0.00 -2.04 0.00 0.00 64.05 60.73 1mr6 n THR 16 Cb 0.53 -0.58 -0.10 0.00 -1.82 0.00 0.00 70.33 68.36 1mr6 n THR 16 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mr6 s PRO 18 N -3.71 -0.23 -0.19 0.00 0.04 -1.26 -4.64 135.00 125.01 1mr6 s PRO 18 Ca 0.29 -0.18 -0.04 0.00 0.04 0.00 0.00 61.00 61.11 1mr6 s PRO 18 Cb 0.03 -1.72 -0.05 0.00 0.04 0.00 0.00 34.50 32.79 1mr6 s PRO 18 CO 0.12 -3.03 2.88 -0.25 0.04 0.00 0.00 177.00 176.76 1mr6 n ASP 19 N -4.25 5.83 0.00 6.66 9.92 -1.26 -3.74 116.55 129.71 1mr6 n ASP 19 Ca 0.13 -2.79 0.00 0.00 -0.53 0.00 0.00 54.79 51.61 1mr6 n ASP 19 Cb 0.59 -1.26 0.00 0.00 -0.64 0.00 0.00 41.12 39.81 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 1.52 0.15 1.95 0.44 0.00 -1.26 -5.12 105.19 102.86 1mr6 n GLY 20 Ca 0.37 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 46.16 1mr6 n GLY 20 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mr6 n LYS 21 N -1.19 -0.65 -0.18 1.61 4.76 -1.25 -5.04 118.16 116.22 1mr6 n LYS 21 Ca 0.00 -1.05 0.00 0.00 -2.87 0.00 0.00 58.31 54.39 1mr6 n LYS 21 Cb 0.00 -0.69 0.00 0.00 -1.84 0.00 0.00 35.03 32.50 1mr6 n LYS 21 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1mr6 n ASN 22 N -3.43 0.00 -3.64 4.39 3.02 -1.06 -4.84 115.26 109.71 1mr6 n ASN 22 Ca 0.08 -1.05 -0.08 0.00 -0.03 0.00 0.00 54.58 53.50 1mr6 n ASN 22 Cb 0.29 -0.01 -0.01 0.00 -0.61 0.00 0.00 39.78 39.44 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 -0.11 2.41 1.01 0.98 -4.85 121.20 120.64 1mr6 s ILE 23 Ca 0.00 -1.05 -0.05 0.00 0.00 0.00 0.00 60.65 59.55 1mr6 s ILE 23 Cb 0.00 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 1mr6 s ILE 23 CO 0.00 0.00 0.08 0.00 0.00 0.00 0.00 174.94 175.02 1mr6 s VAL 25 N -0.90 -0.03 -0.01 0.00 -7.23 -0.67 -2.04 120.40 109.53 1mr6 s VAL 25 Ca 0.14 0.11 -0.04 0.00 -1.81 0.00 0.00 61.98 60.38 1mr6 s VAL 25 Cb -0.12 -0.17 -0.00 0.00 0.56 0.00 0.00 36.38 36.65 1mr6 s VAL 25 CO 0.03 0.04 0.07 -1.59 -0.31 0.00 0.00 175.10 173.35 1mr6 s LYS 26 N 0.65 0.30 0.31 4.82 -2.85 -1.04 -2.24 119.74 119.69 1mr6 s LYS 26 Ca -0.05 -0.27 0.04 0.00 -1.00 0.00 0.00 55.97 54.69 1mr6 s LYS 26 Cb -0.07 0.12 -0.03 0.00 -2.06 0.00 0.00 37.83 35.79 1mr6 s LYS 26 CO -0.03 -0.06 0.20 -0.98 0.10 0.00 0.00 175.35 174.59 1mr6 s ARG 27 N -0.90 1.63 -0.30 1.78 1.70 -0.99 -1.72 118.95 120.14 1mr6 s ARG 27 Ca -0.10 -1.93 -0.10 0.00 -0.47 0.00 0.00 55.73 53.13 1mr6 s ARG 27 Cb -0.06 0.10 0.14 0.00 -0.57 0.00 0.00 34.95 34.57 1mr6 s ARG 27 CO 0.00 -0.53 0.70 -1.54 -1.08 0.00 0.00 175.30 172.86 1mr6 s SER 28 N -3.36 -1.08 0.14 -2.89 1.04 -1.07 -2.60 113.70 103.89 1mr6 s SER 28 Ca 0.37 1.37 0.08 0.00 0.48 0.00 0.00 55.95 58.25 1mr6 s SER 28 Cb 0.04 2.18 -0.04 0.00 0.10 0.00 0.00 66.02 68.30 1mr6 s SER 28 CO 0.21 -0.21 -0.18 -1.66 0.98 0.00 0.00 173.24 172.38 1mr6 s TRP 29 N 2.83 1.71 0.28 5.02 -2.14 -0.62 -2.32 118.94 123.70 1mr6 s TRP 29 Ca -0.03 -0.48 -0.28 0.00 2.66 0.00 0.00 56.10 57.97 1mr6 s TRP 29 Cb -0.11 -0.88 -0.09 0.00 -3.10 0.00 0.00 33.47 29.29 1mr6 s TRP 29 CO -0.19 0.26 0.96 0.95 -2.66 0.00 0.00 176.95 176.27 1mr6 s THR 30 N -1.91 4.05 0.02 0.66 -4.23 -1.26 -1.16 115.64 111.81 1mr6 s THR 30 Ca 0.12 1.91 0.00 0.00 -1.18 0.00 0.00 61.69 62.55 1mr6 s THR 30 Cb -0.06 -4.16 0.00 0.00 1.34 0.00 0.00 72.50 69.62 1mr6 s THR 30 CO 0.05 0.34 0.00 0.00 -0.54 0.00 0.00 174.62 174.48 1mr6 n ALA 31 N 1.08 0.00 -2.25 3.99 0.00 -1.20 -4.92 120.51 117.21 1mr6 n ALA 31 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1mr6 n ALA 31 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 1mr6 n ALA 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1mr6 s VAL 32 N -1.05 3.64 -0.48 0.00 0.11 -1.26 -4.87 120.40 116.49 1mr6 s VAL 32 Ca 0.00 0.54 0.08 0.00 -2.93 0.00 0.00 61.98 59.67 1mr6 s VAL 32 Cb 0.00 -4.19 0.27 0.00 -1.53 0.00 0.00 36.38 30.94 1mr6 s VAL 32 CO 0.00 -0.97 0.66 0.54 -3.33 0.00 0.00 175.10 172.00 1mr6 n ARG 33 N 8.72 1.52 0.08 1.54 1.74 -1.26 -3.76 116.66 125.23 1mr6 n ARG 33 Ca 0.16 -3.82 -0.11 0.00 -0.77 0.00 0.00 57.85 53.31 1mr6 n ARG 33 Cb 0.49 -1.69 -0.07 0.00 -1.02 0.00 0.00 32.46 30.17 1mr6 n ARG 33 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1mr6 h GLY 34 N 3.79 -0.29 -0.33 -0.13 0.00 -1.99 -3.40 103.07 100.72 1mr6 h GLY 34 Ca 0.12 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1mr6 h GLY 34 CO 0.61 -0.10 -0.17 1.22 0.00 0.00 0.00 176.54 178.10 1mr6 n ASP 35 N -4.97 0.65 -3.66 0.19 8.00 -1.26 -5.09 116.55 110.40 1mr6 n ASP 35 Ca -0.08 -1.79 -0.01 0.00 0.71 0.00 0.00 54.79 53.63 1mr6 n ASP 35 Cb 0.26 -0.13 -0.00 0.00 -0.02 0.00 0.00 41.12 41.23 1mr6 n ASP 35 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1mr6 s GLY 36 N -0.90 -0.27 0.12 0.44 0.00 -1.26 -5.14 107.32 100.30 1mr6 s GLY 36 Ca 0.05 0.33 -0.30 0.00 0.00 0.00 0.00 44.72 44.79 1mr6 s GLY 36 CO 0.00 0.61 1.06 2.56 0.00 0.00 0.00 173.10 177.34 1mr6 s PRO 37 N -2.71 4.59 0.09 2.90 0.04 -1.26 -4.33 135.00 134.32 1mr6 s PRO 37 Ca 0.15 1.61 -0.12 0.00 0.04 0.00 0.00 61.00 62.67 1mr6 s PRO 37 Cb 0.01 -3.34 0.02 0.00 0.04 0.00 0.00 34.50 31.23 1mr6 s PRO 37 CO -0.00 0.05 0.29 0.21 0.04 0.00 0.00 177.00 177.58 1mr6 s LYS 38 N 0.16 0.92 -0.09 4.56 2.20 -1.25 -5.04 119.74 121.21 1mr6 s LYS 38 Ca 0.50 -0.78 -0.04 0.00 -0.36 0.00 0.00 55.97 55.30 1mr6 s LYS 38 Cb -0.26 0.39 0.04 0.00 -1.51 0.00 0.00 37.83 36.49 1mr6 s LYS 38 CO 0.31 -0.32 0.20 -0.98 -0.36 0.00 0.00 175.35 174.20 1mr6 s ARG 39 N -3.60 0.15 0.09 4.03 1.70 -1.26 -3.27 118.95 116.80 1mr6 s ARG 39 Ca 0.02 0.45 -0.22 0.00 -0.47 0.00 0.00 55.73 55.51 1mr6 s ARG 39 Cb 0.03 -0.14 -0.07 0.00 -0.57 0.00 0.00 34.95 34.20 1mr6 s ARG 39 CO -0.10 -0.16 0.67 -1.21 -1.08 0.00 0.00 175.30 173.42 1mr6 s GLU 40 N 1.18 4.38 0.32 3.89 0.41 -0.31 -4.70 118.70 123.88 1mr6 s GLU 40 Ca -0.09 0.93 0.09 0.00 -0.41 0.00 0.00 54.97 55.49 1mr6 s GLU 40 Cb -0.11 -3.28 -0.05 0.00 -1.78 0.00 0.00 34.13 28.92 1mr6 s GLU 40 CO -0.07 0.53 -0.01 0.96 -0.49 0.00 0.00 175.26 176.19 1mr6 s ILE 41 N -0.86 2.75 0.20 -1.63 -4.36 -1.26 -1.58 121.20 114.46 1mr6 s ILE 41 Ca 0.33 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.68 1mr6 s ILE 41 Cb -0.21 -2.76 -0.03 0.00 1.25 0.00 0.00 42.46 40.71 1mr6 s ILE 41 CO 0.22 -0.25 0.21 -0.60 0.24 0.00 0.00 174.94 174.76 1mr6 s ARG 42 N -3.69 1.23 0.14 0.37 3.52 -1.07 -4.90 118.95 114.54 1mr6 s ARG 42 Ca 0.34 -1.48 -0.08 0.00 -0.13 0.00 0.00 55.73 54.38 1mr6 s ARG 42 Cb -0.02 0.32 -0.01 0.00 -1.56 0.00 0.00 34.95 33.68 1mr6 s ARG 42 CO 0.19 -0.43 0.23 1.03 -0.81 0.00 0.00 175.30 175.51 1mr6 s ARG 43 N -4.10 1.04 0.00 5.12 0.52 -1.26 -2.35 118.95 117.92 1mr6 s ARG 43 Ca 0.32 -1.14 0.00 0.00 -0.52 0.00 0.00 55.73 54.39 1mr6 s ARG 43 Cb 0.05 0.35 0.00 0.00 0.52 0.00 0.00 34.95 35.87 1mr6 s ARG 43 CO 0.09 -0.36 0.00 0.39 0.02 0.00 0.00 175.30 175.44 1mr6 n GLU 44 N -0.15 0.00 -3.71 3.54 1.02 -0.95 -4.89 120.64 115.50 1mr6 n GLU 44 Ca -0.09 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.68 1mr6 n GLU 44 Cb 0.63 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.99 1mr6 n GLU 44 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mr6 n ALA 46 N 1.61 0.00 0.48 0.00 0.00 -1.02 -4.85 120.51 116.73 1mr6 n ALA 46 Ca -0.15 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.42 1mr6 n ALA 46 Cb 0.53 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.24 1mr6 n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mr6 h ALA 47 N 2.00 0.84 -2.40 0.00 0.00 -1.89 0.29 119.26 118.09 1mr6 h ALA 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1mr6 h ALA 47 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1mr6 h ALA 47 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.50 1mr6 n THR 48 N -2.43 0.00 -3.62 0.00 -2.24 -1.26 -4.79 114.28 99.95 1mr6 n THR 48 Ca 0.04 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.69 1mr6 n THR 48 Cb 0.46 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.63 1mr6 n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mr6 h PRO 50 N 4.44 0.68 -3.14 0.00 0.13 -1.96 -3.27 132.00 128.88 1mr6 h PRO 50 Ca -0.28 -0.26 -0.72 0.00 -0.87 0.00 0.00 66.00 63.87 1mr6 h PRO 50 Cb 1.16 -0.04 -0.06 0.00 0.13 0.00 0.00 31.00 32.19 1mr6 h PRO 50 CO 0.12 0.85 2.94 -0.35 -0.23 0.00 0.00 178.00 181.33 1mr6 n PRO 51 N -4.12 3.83 0.03 1.56 -0.04 -1.26 -4.72 135.00 130.29 1mr6 n PRO 51 Ca 0.00 -2.92 0.12 0.00 -0.04 0.00 0.00 63.50 60.66 1mr6 n PRO 51 Cb 0.42 -2.85 0.56 0.00 -0.04 0.00 0.00 33.50 31.59 1mr6 n PRO 51 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1mr6 h SER 52 N 5.18 0.22 -2.35 3.54 0.87 -1.94 -3.40 113.55 115.66 1mr6 h SER 52 Ca 0.68 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 60.70 1mr6 h SER 52 Cb 0.41 -0.04 0.01 0.00 -0.44 0.00 0.00 62.40 62.34 1mr6 h SER 52 CO 1.68 0.14 1.26 -0.75 -0.53 0.00 0.00 176.83 178.62 1mr6 s LYS 53 N -5.25 4.00 0.00 2.24 2.36 -1.26 -4.78 119.74 117.05 1mr6 s LYS 53 Ca -0.07 2.48 0.15 0.00 -2.55 0.00 0.00 55.97 55.98 1mr6 s LYS 53 Cb 0.19 -4.18 0.73 0.00 -1.05 0.00 0.00 37.83 33.52 1mr6 s LYS 53 CO 0.72 -1.11 1.44 1.28 1.55 0.00 0.00 175.35 179.23 1mr6 n LEU 54 N 8.10 0.00 0.13 5.43 7.99 -1.26 -1.33 117.00 136.05 1mr6 n LEU 54 Ca 0.21 0.35 0.14 0.00 -0.01 0.00 0.00 56.01 56.69 1mr6 n LEU 54 Cb 0.42 -0.35 0.66 0.00 -0.11 0.00 0.00 43.42 44.04 1mr6 n LEU 54 CO 0.67 -0.17 1.13 1.23 -1.51 0.00 0.00 177.39 178.74 1mr6 h GLY 55 N 2.52 0.02 -4.74 -0.72 0.00 -1.91 -3.38 103.07 94.86 1mr6 h GLY 55 Ca 0.00 -0.01 -0.61 0.00 0.00 0.00 0.00 47.33 46.71 1mr6 h GLY 55 CO 0.00 0.01 -0.41 -2.27 0.00 0.00 0.00 176.54 173.86 1mr6 s LEU 56 N -8.93 4.33 0.03 3.11 1.98 -0.44 -5.03 118.68 113.73 1mr6 s LEU 56 Ca -0.05 0.44 -0.30 0.00 -2.89 0.00 0.00 54.13 51.33 1mr6 s LEU 56 Cb 0.18 -2.99 -0.07 0.00 0.66 0.00 0.00 46.19 43.98 1mr6 s LEU 56 CO 0.70 0.16 1.50 -0.89 -1.89 0.00 0.00 176.35 175.92 1mr6 s THR 57 N -1.50 3.45 0.08 3.68 2.01 -0.98 -4.86 115.64 117.52 1mr6 s THR 57 Ca 0.35 0.86 0.09 0.00 0.31 0.00 0.00 61.69 63.30 1mr6 s THR 57 Cb -0.13 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 1mr6 s THR 57 CO 0.24 -0.00 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.23 1mr6 s VAL 58 N 2.47 1.99 -0.38 3.82 1.01 -1.26 -2.60 120.40 125.44 1mr6 s VAL 58 Ca 0.68 -1.48 0.07 0.00 0.00 0.00 0.00 61.98 61.25 1mr6 s VAL 58 Cb -0.35 -1.74 0.18 0.00 0.00 0.00 0.00 36.38 34.48 1mr6 s VAL 58 CO 0.29 0.17 0.60 0.12 0.00 0.00 0.00 175.10 176.28 1mr6 s PHE 59 N -0.94 -1.64 0.55 5.22 5.36 -0.70 -4.98 117.98 120.86 1mr6 s PHE 59 Ca 0.10 0.33 0.03 0.00 -0.96 0.00 0.00 56.93 56.43 1mr6 s PHE 59 Cb -0.10 0.25 0.10 0.00 -0.34 0.00 0.00 43.02 42.94 1mr6 s PHE 59 CO 0.03 -1.14 0.76 0.00 -1.46 0.00 0.00 175.22 173.41 1mr6 n THR 62 N 1.38 2.87 -3.55 0.00 -2.24 -1.26 -1.44 114.28 110.03 1mr6 n THR 62 Ca -0.09 -5.20 -0.15 0.00 -2.27 0.00 0.00 64.05 56.35 1mr6 n THR 62 Cb 0.57 -2.24 -0.06 0.00 -2.10 0.00 0.00 70.33 66.51 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 -1.85 0.00 -0.32 4.28 -4.23 -1.26 -5.07 115.64 107.19 1mr6 s THR 63 Ca 0.31 0.00 -0.42 0.00 -1.18 0.00 0.00 61.69 60.39 1mr6 s THR 63 Cb 0.01 -1.00 -0.17 0.00 1.34 0.00 0.00 72.50 72.67 1mr6 s THR 63 CO -0.08 0.00 1.63 -0.90 -0.54 0.00 0.00 174.62 174.74 1mr6 n ASP 64 N 0.89 1.81 -2.60 3.99 5.75 -1.22 -2.45 116.55 122.72 1mr6 n ASP 64 Ca -0.15 1.12 -0.25 0.00 -0.01 0.00 0.00 54.79 55.50 1mr6 n ASP 64 Cb 0.57 -1.04 0.02 0.00 -1.03 0.00 0.00 41.12 39.65 1mr6 n ASP 64 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1mr6 n ASN 65 N 4.52 -3.51 -0.01 -1.12 0.23 -0.08 -4.82 115.26 110.47 1mr6 n ASN 65 Ca 0.27 -0.10 0.07 0.00 -0.53 0.00 0.00 54.58 54.30 1mr6 n ASN 65 Cb 0.06 -1.02 -0.11 0.00 -2.08 0.00 0.00 39.78 36.64 1mr6 n ASN 65 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1mr6 n ASN 67 N -1.92 7.14 -0.21 0.00 4.13 -1.26 -4.97 115.26 118.18 1mr6 n ASN 67 Ca -0.02 -3.10 0.15 0.00 1.68 0.00 0.00 54.58 53.30 1mr6 n ASN 67 Cb 0.36 -1.31 0.77 0.00 -1.54 0.00 0.00 39.78 38.05 1mr6 n ASN 67 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54