#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 0.51 -0.13 3.17 -0.21 -1.26 0.76 119.66 122.50 1mr6 s GLN 2 Ca 0.00 0.15 -0.14 0.00 0.02 0.00 0.00 55.36 55.39 1mr6 s GLN 2 Cb 0.00 -0.90 0.04 0.00 1.00 0.00 0.00 33.01 33.15 1mr6 s GLN 2 CO 0.00 -0.30 0.39 0.00 -2.12 0.00 0.00 175.29 173.25 1mr6 s LYS 4 N 0.04 4.13 -0.37 0.00 1.02 -1.26 -3.62 119.74 119.69 1mr6 s LYS 4 Ca -0.01 2.62 0.12 0.00 0.02 0.00 0.00 55.97 58.72 1mr6 s LYS 4 Cb -0.03 -3.80 0.41 0.00 -0.52 0.00 0.00 37.83 33.89 1mr6 s LYS 4 CO 0.01 -0.89 1.23 0.25 -0.92 0.00 0.00 175.35 175.03 1mr6 n THR 5 N 5.04 0.33 0.00 2.17 -2.24 -1.26 -4.37 114.28 113.95 1mr6 n THR 5 Ca 0.19 -2.00 0.00 0.00 -2.27 0.00 0.00 64.05 59.97 1mr6 n THR 5 Cb 0.39 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 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 -0.19 0.00 -2.74 0.00 3.41 -1.26 -5.00 113.62 107.84 1mr6 n SER 7 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.53 1mr6 n SER 7 Cb 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.00 1mr6 n SER 7 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1mr6 n PHE 8 N 0.00 -3.57 -1.38 7.33 3.72 -1.26 -4.98 117.46 117.32 1mr6 n PHE 8 Ca 0.00 -0.49 -0.23 0.00 -0.05 0.00 0.00 57.45 56.68 1mr6 n PHE 8 Cb 0.00 -0.28 0.14 0.00 -0.94 0.00 0.00 39.48 38.40 1mr6 n PHE 8 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 1mr6 n TYR 9 N -2.18 2.65 -2.67 1.38 0.18 -1.26 -4.55 117.16 110.71 1mr6 n TYR 9 Ca 0.05 -2.18 -0.04 0.00 1.88 0.00 0.00 57.90 57.62 1mr6 n TYR 9 Cb 0.19 -0.94 0.11 0.00 -0.38 0.00 0.00 39.34 38.32 1mr6 n TYR 9 CO 0.00 0.00 0.00 -2.37 -2.08 0.00 0.00 176.86 172.41 1mr6 n THR 10 N -1.04 0.00 -3.11 -3.48 5.66 -1.26 -5.08 114.28 105.97 1mr6 n THR 10 Ca 0.54 -0.75 -0.43 0.00 -3.05 0.00 0.00 64.05 60.36 1mr6 n THR 10 Cb 1.18 1.12 -0.07 0.00 -1.55 0.00 0.00 70.33 71.02 1mr6 n THR 10 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1mr6 n PRO 12 N 6.20 0.20 -0.12 0.00 -0.04 -1.26 -4.74 135.00 135.24 1mr6 n PRO 12 Ca -0.01 0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 1mr6 n PRO 12 Cb 0.48 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 1mr6 n PRO 12 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1mr6 n ASN 13 N -2.19 0.00 -3.85 3.54 4.13 -1.26 -5.11 115.26 110.52 1mr6 n ASN 13 Ca 0.04 -0.55 -0.12 0.00 1.68 0.00 0.00 54.58 55.63 1mr6 n ASN 13 Cb 0.30 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.42 1mr6 n ASN 13 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1mr6 s SER 14 N -1.00 -0.06 -0.66 6.41 0.01 -1.26 -4.95 113.70 112.19 1mr6 s SER 14 Ca 0.00 0.08 0.02 0.00 1.31 0.00 0.00 55.95 57.36 1mr6 s SER 14 Cb 0.00 0.20 0.16 0.00 0.21 0.00 0.00 66.02 66.59 1mr6 s SER 14 CO 0.00 -0.11 0.45 -0.70 0.41 0.00 0.00 173.24 173.29 1mr6 s GLU 15 N -0.29 2.46 -0.20 12.44 2.12 -1.24 -4.91 118.70 129.08 1mr6 s GLU 15 Ca -0.04 -2.92 -0.28 0.00 0.36 0.00 0.00 54.97 52.09 1mr6 s GLU 15 Cb -0.03 -3.55 -0.05 0.00 0.26 0.00 0.00 34.13 30.77 1mr6 s GLU 15 CO 0.00 -1.20 2.21 2.41 -0.54 0.00 0.00 175.26 178.15 1mr6 n THR 16 N 2.73 0.37 -0.85 -1.70 -1.04 -1.26 -2.96 114.28 109.57 1mr6 n THR 16 Ca 0.13 -0.45 -0.35 0.00 -2.04 0.00 0.00 64.05 61.34 1mr6 n THR 16 Cb 0.35 -2.56 0.10 0.00 -1.82 0.00 0.00 70.33 66.39 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 -2.80 0.01 -0.12 0.00 0.04 -1.26 -3.44 135.00 127.43 1mr6 s PRO 18 Ca 0.47 0.37 -0.01 0.00 0.04 0.00 0.00 61.00 61.87 1mr6 s PRO 18 Cb -0.08 -1.70 0.06 0.00 0.04 0.00 0.00 34.50 32.82 1mr6 s PRO 18 CO 0.69 -2.98 2.12 -0.25 0.04 0.00 0.00 177.00 176.62 1mr6 n ASP 19 N -4.32 5.75 -0.62 6.66 8.00 -1.26 0.23 116.55 130.99 1mr6 n ASP 19 Ca 0.07 -2.65 -0.01 0.00 0.71 0.00 0.00 54.79 52.90 1mr6 n ASP 19 Cb 0.58 -1.13 -0.01 0.00 -0.02 0.00 0.00 41.12 40.54 1mr6 n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mr6 n GLY 20 N 1.16 0.84 0.00 0.44 0.00 -1.26 -4.88 105.19 101.49 1mr6 n GLY 20 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 0.02 2.10 0.00 1.61 4.76 -1.21 -4.95 118.16 120.50 1mr6 n LYS 21 Ca -0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 1mr6 n LYS 21 Cb 0.59 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.78 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 -0.79 0.00 -3.65 4.39 3.02 -1.18 -3.84 115.26 113.22 1mr6 n ASN 22 Ca 0.00 -0.70 -0.06 0.00 -0.03 0.00 0.00 54.58 53.79 1mr6 n ASN 22 Cb 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 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 0.10 2.41 1.01 0.19 -4.79 121.20 120.13 1mr6 s ILE 23 Ca 0.00 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.76 1mr6 s ILE 23 Cb 0.00 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 1mr6 s ILE 23 CO 0.00 0.00 0.24 0.00 0.00 0.00 0.00 174.94 175.18 1mr6 s VAL 25 N -1.62 -0.52 -0.02 0.00 -7.23 0.02 -2.88 120.40 108.14 1mr6 s VAL 25 Ca 0.35 0.09 0.02 0.00 -1.81 0.00 0.00 61.98 60.63 1mr6 s VAL 25 Cb -0.12 -0.65 0.01 0.00 0.56 0.00 0.00 36.38 36.18 1mr6 s VAL 25 CO 0.28 -0.01 -0.06 -1.59 -0.31 0.00 0.00 175.10 173.41 1mr6 s LYS 26 N 2.50 0.72 0.52 4.82 -2.85 -0.46 -1.00 119.74 123.98 1mr6 s LYS 26 Ca 0.05 -0.21 0.05 0.00 -1.00 0.00 0.00 55.97 54.86 1mr6 s LYS 26 Cb -0.14 -0.70 0.02 0.00 -2.06 0.00 0.00 37.83 34.95 1mr6 s LYS 26 CO -0.12 0.07 0.35 -0.98 0.10 0.00 0.00 175.35 174.76 1mr6 s ARG 27 N 0.26 2.27 -0.30 1.78 1.70 -0.97 -0.11 118.95 123.57 1mr6 s ARG 27 Ca -0.03 -1.99 -0.02 0.00 -0.47 0.00 0.00 55.73 53.22 1mr6 s ARG 27 Cb -0.08 -2.06 0.19 0.00 -0.57 0.00 0.00 34.95 32.43 1mr6 s ARG 27 CO 0.00 -0.51 0.63 -1.54 -1.08 0.00 0.00 175.30 172.81 1mr6 s SER 28 N -4.19 -1.33 0.26 -2.89 1.04 -0.48 -1.89 113.70 104.21 1mr6 s SER 28 Ca 0.34 0.81 0.01 0.00 0.48 0.00 0.00 55.95 57.59 1mr6 s SER 28 Cb -0.01 2.11 0.01 0.00 0.10 0.00 0.00 66.02 68.22 1mr6 s SER 28 CO 0.20 -0.25 0.04 -2.67 0.98 0.00 0.00 173.24 171.55 1mr6 n TRP 29 N 5.43 0.23 -0.57 5.02 2.14 -0.72 -2.81 117.44 126.16 1mr6 n TRP 29 Ca -0.01 -1.23 0.06 0.00 2.07 0.00 0.00 57.50 58.38 1mr6 n TRP 29 Cb 0.51 -0.18 0.11 0.00 -0.81 0.00 0.00 31.31 30.94 1mr6 n TRP 29 CO 0.00 0.00 0.00 -2.37 2.07 0.00 0.00 177.69 177.39 1mr6 n THR 30 N -0.74 1.52 0.29 -1.67 5.66 -1.26 0.13 114.28 118.21 1mr6 n THR 30 Ca -0.08 -1.61 0.04 0.00 -3.05 0.00 0.00 64.05 59.34 1mr6 n THR 30 Cb 0.32 0.11 0.17 0.00 -1.55 0.00 0.00 70.33 69.38 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 -0.73 1.39 -2.31 1.79 0.00 -1.26 -4.52 120.51 114.88 1mr6 n ALA 31 Ca 0.11 -0.03 -0.41 0.00 0.00 0.00 0.00 53.44 53.11 1mr6 n ALA 31 Cb 0.51 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.81 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 -2.90 3.64 0.00 0.00 0.11 -1.26 -4.68 120.40 115.30 1mr6 s VAL 32 Ca 0.05 0.48 0.00 0.00 -2.93 0.00 0.00 61.98 59.57 1mr6 s VAL 32 Cb 0.05 -4.36 0.00 0.00 -1.53 0.00 0.00 36.38 30.54 1mr6 s VAL 32 CO 0.13 -1.20 0.05 0.54 -3.33 0.00 0.00 175.10 171.29 1mr6 n ARG 33 N 8.94 3.39 0.24 1.54 1.74 -1.26 -3.87 116.66 127.39 1mr6 n ARG 33 Ca 0.13 -0.05 0.13 0.00 -0.77 0.00 0.00 57.85 57.29 1mr6 n ARG 33 Cb 0.50 -0.39 0.53 0.00 -1.02 0.00 0.00 32.46 32.08 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 0.00 0.00 0.00 -0.13 0.00 -1.98 -3.34 103.07 97.61 1mr6 h GLY 34 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1mr6 h GLY 34 CO 0.00 0.00 -1.11 1.34 0.00 0.00 0.00 176.54 176.77 1mr6 n ASP 35 N -3.27 3.97 0.00 0.19 -0.08 -1.26 -5.11 116.55 111.00 1mr6 n ASP 35 Ca 0.00 -0.01 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1mr6 n ASP 35 Cb 0.39 0.06 0.00 0.00 2.34 0.00 0.00 41.12 43.91 1mr6 n ASP 35 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1mr6 n GLY 36 N 3.32 0.88 2.97 0.27 0.00 -1.25 -5.05 105.19 106.33 1mr6 n GLY 36 Ca -0.03 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 1mr6 n GLY 36 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mr6 n PRO 37 N -0.02 2.77 0.00 1.61 -0.04 -1.25 -4.05 135.00 134.01 1mr6 n PRO 37 Ca 0.00 -2.67 0.00 0.00 -0.04 0.00 0.00 63.50 60.79 1mr6 n PRO 37 Cb 0.00 -3.31 0.00 0.00 -0.04 0.00 0.00 33.50 30.15 1mr6 n PRO 37 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1mr6 n LYS 38 N 6.74 0.00 -3.15 0.54 4.81 -1.26 -5.11 118.16 120.73 1mr6 n LYS 38 Ca 0.51 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.99 1mr6 n LYS 38 Cb 0.41 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.45 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 1.08 0.54 -0.67 1.64 3.52 -1.25 -4.60 118.95 119.21 1mr6 s ARG 39 Ca 0.00 0.76 -0.26 0.00 -0.13 0.00 0.00 55.73 56.10 1mr6 s ARG 39 Cb 0.00 0.39 -0.12 0.00 -1.56 0.00 0.00 34.95 33.66 1mr6 s ARG 39 CO 0.00 -0.80 2.42 -1.91 -0.81 0.00 0.00 175.30 174.20 1mr6 n GLU 40 N 5.42 0.73 -3.22 5.12 4.07 0.36 -4.56 120.64 128.56 1mr6 n GLU 40 Ca 0.02 -0.41 -0.18 0.00 -0.06 0.00 0.00 57.16 56.53 1mr6 n GLU 40 Cb 0.53 -3.41 0.00 0.00 -0.06 0.00 0.00 31.44 28.50 1mr6 n GLU 40 CO 0.00 0.00 0.00 0.96 -0.06 0.00 0.00 177.13 178.03 1mr6 s ILE 41 N 12.94 3.32 0.24 6.31 -5.25 -1.26 -1.75 121.20 135.75 1mr6 s ILE 41 Ca 0.98 -1.04 -0.11 0.00 -0.99 0.00 0.00 60.65 59.49 1mr6 s ILE 41 Cb -0.22 -3.13 -0.01 0.00 2.95 0.00 0.00 42.46 42.05 1mr6 s ILE 41 CO 0.20 -0.05 0.44 -0.60 -1.79 0.00 0.00 174.94 173.14 1mr6 s ARG 42 N -4.27 1.52 0.16 0.37 6.06 -0.79 -4.90 118.95 117.09 1mr6 s ARG 42 Ca 0.51 -1.30 -0.06 0.00 -2.50 0.00 0.00 55.73 52.38 1mr6 s ARG 42 Cb -0.09 0.45 -0.02 0.00 0.06 0.00 0.00 34.95 35.35 1mr6 s ARG 42 CO 0.32 -0.62 0.21 1.03 -2.50 0.00 0.00 175.30 173.74 1mr6 s ARG 43 N -4.02 1.09 0.00 5.12 3.00 -1.25 -2.30 118.95 120.59 1mr6 s ARG 43 Ca 0.24 -1.26 0.00 0.00 0.00 0.00 0.00 55.73 54.71 1mr6 s ARG 43 Cb 0.00 0.34 0.00 0.00 0.00 0.00 0.00 34.95 35.29 1mr6 s ARG 43 CO 0.09 -0.38 0.00 -1.91 0.00 0.00 0.00 175.30 173.11 1mr6 n GLU 44 N -0.18 -2.52 -5.12 3.54 2.13 -0.17 -4.91 120.64 113.40 1mr6 n GLU 44 Ca -0.07 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.44 1mr6 n GLU 44 Cb 0.63 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 32.19 1mr6 n GLU 44 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1mr6 n ALA 46 N 2.55 0.00 0.03 0.00 0.00 -0.33 -4.91 120.51 117.85 1mr6 n ALA 46 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.17 1mr6 n ALA 46 Cb 0.52 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.83 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 0.50 -2.92 0.00 0.00 -1.90 0.56 119.26 117.50 1mr6 h ALA 47 Ca 0.00 -1.20 -0.09 0.00 0.00 0.00 0.00 54.91 53.62 1mr6 h ALA 47 Cb 0.00 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1mr6 h ALA 47 CO 0.00 1.36 0.00 0.95 0.00 0.00 0.00 179.25 181.56 1mr6 s THR 48 N -2.64 0.00 0.69 0.00 -4.23 -1.26 -4.64 115.64 103.56 1mr6 s THR 48 Ca -0.05 -1.31 -0.11 0.00 -1.18 0.00 0.00 61.69 59.04 1mr6 s THR 48 Cb 0.08 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.47 1mr6 s THR 48 CO 0.83 0.00 1.07 0.00 -0.54 0.00 0.00 174.62 175.98 1mr6 s PRO 50 N -5.25 2.92 -0.73 0.00 0.04 -1.26 -4.86 135.00 125.87 1mr6 s PRO 50 Ca 0.57 1.77 -0.26 0.00 0.04 0.00 0.00 61.00 63.13 1mr6 s PRO 50 Cb -0.12 -4.39 -0.04 0.00 0.04 0.00 0.00 34.50 29.99 1mr6 s PRO 50 CO 0.53 -2.34 1.93 -1.25 0.04 0.00 0.00 177.00 175.91 1mr6 s PRO 51 N 6.68 2.55 0.00 0.56 0.04 -1.26 -4.66 135.00 138.91 1mr6 s PRO 51 Ca 0.96 0.28 0.00 0.00 0.04 0.00 0.00 61.00 62.28 1mr6 s PRO 51 Cb -0.28 -4.68 0.00 0.00 0.04 0.00 0.00 34.50 29.59 1mr6 s PRO 51 CO 0.33 -3.06 0.00 0.43 0.04 0.00 0.00 177.00 174.73 1mr6 n SER 52 N 13.53 0.89 -1.67 6.66 7.64 -1.26 -4.98 113.62 134.43 1mr6 n SER 52 Ca 0.30 -0.84 -0.04 0.00 1.01 0.00 0.00 58.87 59.30 1mr6 n SER 52 Cb 0.50 0.00 0.23 0.00 -1.01 0.00 0.00 64.21 63.93 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 -0.46 3.10 -0.24 1.43 4.01 -1.26 -4.82 118.16 119.92 1mr6 n LYS 53 Ca 0.00 -2.26 0.00 0.00 -0.51 0.00 0.00 58.31 55.54 1mr6 n LYS 53 Cb 0.00 -1.98 0.00 0.00 -0.51 0.00 0.00 35.03 32.54 1mr6 n LYS 53 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 1mr6 n LEU 54 N 0.00 0.03 0.16 -0.35 -0.00 -1.26 -4.77 117.00 110.82 1mr6 n LEU 54 Ca 0.30 0.00 0.17 0.00 -0.00 0.00 0.00 56.01 56.47 1mr6 n LEU 54 Cb 1.11 -0.08 0.77 0.00 -0.00 0.00 0.00 43.42 45.22 1mr6 n LEU 54 CO 0.32 -0.01 1.15 1.23 -0.00 0.00 0.00 177.39 180.07 1mr6 h GLY 55 N 0.00 0.00 -7.69 -3.96 0.00 -1.98 -3.14 103.07 86.30 1mr6 h GLY 55 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.68 1mr6 h GLY 55 CO 0.00 0.00 -0.76 -2.27 0.00 0.00 0.00 176.54 173.51 1mr6 s LEU 56 N -8.07 3.89 -0.17 3.11 2.96 -1.26 -4.83 118.68 114.31 1mr6 s LEU 56 Ca -0.05 -1.77 -0.29 0.00 -0.22 0.00 0.00 54.13 51.81 1mr6 s LEU 56 Cb 0.17 -1.48 -0.06 0.00 0.50 0.00 0.00 46.19 45.31 1mr6 s LEU 56 CO 0.61 -0.31 2.17 0.41 -1.32 0.00 0.00 176.35 177.91 1mr6 n THR 57 N 4.41 0.43 -2.71 3.68 -1.04 -1.12 -4.69 114.28 113.23 1mr6 n THR 57 Ca -0.04 -0.39 -0.27 0.00 -2.04 0.00 0.00 64.05 61.32 1mr6 n THR 57 Cb 0.42 -2.48 -0.00 0.00 -1.82 0.00 0.00 70.33 66.45 1mr6 n THR 57 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1mr6 s VAL 58 N 7.44 4.86 -0.31 12.58 1.01 -1.26 -1.39 120.40 143.33 1mr6 s VAL 58 Ca 0.99 0.10 0.03 0.00 0.00 0.00 0.00 61.98 63.10 1mr6 s VAL 58 Cb -0.38 -3.84 0.16 0.00 0.00 0.00 0.00 36.38 32.33 1mr6 s VAL 58 CO 0.37 -0.79 0.44 0.12 0.00 0.00 0.00 175.10 175.24 1mr6 s PHE 59 N -2.70 -1.04 0.14 5.22 5.36 0.84 -4.93 117.98 120.87 1mr6 s PHE 59 Ca 0.47 0.22 0.09 0.00 -0.96 0.00 0.00 56.93 56.74 1mr6 s PHE 59 Cb -0.10 -0.11 -0.04 0.00 -0.34 0.00 0.00 43.02 42.42 1mr6 s PHE 59 CO 0.44 -1.01 -0.15 0.00 -1.46 0.00 0.00 175.22 173.04 1mr6 n THR 62 N -0.04 1.28 -3.51 0.00 -2.24 -1.26 -3.07 114.28 105.43 1mr6 n THR 62 Ca -0.12 -4.83 -0.08 0.00 -2.27 0.00 0.00 64.05 56.75 1mr6 n THR 62 Cb 0.60 -1.84 -0.02 0.00 -2.10 0.00 0.00 70.33 66.97 1mr6 n THR 62 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1mr6 s THR 63 N -2.29 0.00 0.45 4.28 2.01 -1.26 -5.11 115.64 113.72 1mr6 s THR 63 Ca 0.39 0.00 -0.24 0.00 0.31 0.00 0.00 61.69 62.16 1mr6 s THR 63 Cb 0.19 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.61 1mr6 s THR 63 CO -0.06 0.00 1.15 0.47 -0.69 0.00 0.00 174.62 175.48 1mr6 n ASP 64 N -0.22 1.88 -1.16 3.53 8.00 -1.21 -3.59 116.55 123.79 1mr6 n ASP 64 Ca -0.08 1.03 -0.03 0.00 0.71 0.00 0.00 54.79 56.43 1mr6 n ASP 64 Cb 0.61 -1.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.28 1mr6 n ASP 64 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1mr6 n ASN 65 N 0.10 -0.56 -3.41 -2.24 3.02 0.23 -4.74 115.26 107.66 1mr6 n ASN 65 Ca 0.09 -0.01 -0.19 0.00 -0.03 0.00 0.00 54.58 54.44 1mr6 n ASN 65 Cb 0.41 -0.16 -0.10 0.00 -0.61 0.00 0.00 39.78 39.32 1mr6 n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mr6 n ASN 67 N 5.09 0.00 0.00 0.00 5.03 -1.26 -4.48 115.26 119.64 1mr6 n ASN 67 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1mr6 n ASN 67 Cb 0.45 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.21 1mr6 n ASN 67 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43