#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 2.74 -0.06 0.03 -0.21 -1.26 0.78 119.66 121.68 1mr6 s GLN 2 Ca 0.00 -1.03 -0.05 0.00 0.02 0.00 0.00 55.36 54.29 1mr6 s GLN 2 Cb 0.00 -2.91 0.02 0.00 1.00 0.00 0.00 33.01 31.12 1mr6 s GLN 2 CO 0.00 -0.41 0.16 0.00 -2.12 0.00 0.00 175.29 172.92 1mr6 n LYS 4 N 3.02 1.01 -2.71 0.00 5.02 -1.26 -4.02 118.16 119.22 1mr6 n LYS 4 Ca -0.13 0.40 -0.08 0.00 -2.02 0.00 0.00 58.31 56.48 1mr6 n LYS 4 Cb 0.59 -2.35 0.11 0.00 -0.02 0.00 0.00 35.03 33.35 1mr6 n LYS 4 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1mr6 n THR 5 N -1.81 0.06 -0.62 -0.18 -2.24 -1.26 -4.48 114.28 103.74 1mr6 n THR 5 Ca 0.15 -1.64 0.00 0.00 -2.27 0.00 0.00 64.05 60.29 1mr6 n THR 5 Cb 0.48 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 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 -2.90 4.71 -4.19 0.00 2.88 -1.26 -4.42 113.62 108.44 1mr6 n SER 7 Ca 0.00 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.31 1mr6 n SER 7 Cb 0.00 1.04 0.13 0.00 -0.75 0.00 0.00 64.21 64.63 1mr6 n SER 7 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1mr6 n PHE 8 N -1.56 -3.24 -0.17 0.66 3.72 -1.26 -4.86 117.46 110.75 1mr6 n PHE 8 Ca -0.00 -1.48 -0.02 0.00 -0.05 0.00 0.00 57.45 55.89 1mr6 n PHE 8 Cb 0.05 -0.74 0.19 0.00 -0.94 0.00 0.00 39.48 38.04 1mr6 n PHE 8 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 1mr6 h TYR 9 N -0.88 0.92 -0.88 1.38 3.20 -1.97 -3.44 116.97 115.29 1mr6 h TYR 9 Ca -0.33 -0.05 -0.58 0.00 3.14 0.00 0.00 58.73 60.91 1mr6 h TYR 9 Cb 1.12 -0.28 -0.07 0.00 1.54 0.00 0.00 36.73 39.04 1mr6 h TYR 9 CO 0.00 0.70 -0.39 -0.08 -1.64 0.00 0.00 178.16 176.75 1mr6 s THR 10 N -5.44 1.84 -0.29 1.81 -1.32 -1.26 -4.96 115.64 106.03 1mr6 s THR 10 Ca -0.10 -1.60 0.01 0.00 -1.21 0.00 0.00 61.69 58.79 1mr6 s THR 10 Cb 0.16 -2.44 0.15 0.00 -1.51 0.00 0.00 72.50 68.86 1mr6 s THR 10 CO 0.80 0.00 0.35 0.00 -2.21 0.00 0.00 174.62 173.56 1mr6 h PRO 12 N 8.21 0.00 0.00 0.00 0.13 -1.94 -3.43 132.00 134.97 1mr6 h PRO 12 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1mr6 h PRO 12 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1mr6 h PRO 12 CO 0.30 0.20 0.00 0.09 -0.23 0.00 0.00 178.00 178.36 1mr6 n ASN 13 N -3.20 0.00 -3.86 1.44 4.13 -1.26 -5.14 115.26 107.38 1mr6 n ASN 13 Ca 0.02 -0.67 -0.09 0.00 1.68 0.00 0.00 54.58 55.52 1mr6 n ASN 13 Cb 0.55 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.72 1mr6 n ASN 13 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1mr6 s SER 14 N -1.00 0.12 -0.32 6.41 1.04 -1.26 -4.92 113.70 113.77 1mr6 s SER 14 Ca 0.00 -0.64 -0.02 0.00 0.48 0.00 0.00 55.95 55.77 1mr6 s SER 14 Cb 0.00 0.34 0.12 0.00 0.10 0.00 0.00 66.02 66.57 1mr6 s SER 14 CO 0.00 -0.72 0.16 -0.70 0.98 0.00 0.00 173.24 172.96 1mr6 s GLU 15 N -3.79 0.39 -0.43 4.02 2.12 -1.26 -4.94 118.70 114.81 1mr6 s GLU 15 Ca 0.04 -0.91 -0.27 0.00 0.36 0.00 0.00 54.97 54.20 1mr6 s GLU 15 Cb 0.05 -1.31 -0.05 0.00 0.26 0.00 0.00 34.13 33.07 1mr6 s GLU 15 CO -0.11 -1.09 2.24 0.99 -0.54 0.00 0.00 175.26 176.75 1mr6 s THR 16 N 1.64 3.10 1.00 -1.70 2.01 -1.26 -2.88 115.64 117.55 1mr6 s THR 16 Ca 0.13 0.07 -0.16 0.00 0.31 0.00 0.00 61.69 62.04 1mr6 s THR 16 Cb -0.19 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.12 1mr6 s THR 16 CO -0.21 -0.18 -0.04 0.00 -0.69 0.00 0.00 174.62 173.50 1mr6 s PRO 18 N -3.19 -0.47 -1.41 0.00 0.04 -1.25 -3.90 135.00 124.82 1mr6 s PRO 18 Ca 0.52 -0.18 -0.13 0.00 0.04 0.00 0.00 61.00 61.25 1mr6 s PRO 18 Cb -0.16 -1.70 0.08 0.00 0.04 0.00 0.00 34.50 32.76 1mr6 s PRO 18 CO 0.70 -3.19 2.14 -0.25 0.04 0.00 0.00 177.00 176.44 1mr6 n ASP 19 N -4.36 4.33 0.00 6.66 8.00 -1.26 -1.17 116.55 128.75 1mr6 n ASP 19 Ca 0.14 -2.92 0.00 0.00 0.71 0.00 0.00 54.79 52.72 1mr6 n ASP 19 Cb 0.59 -1.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.09 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 3.69 0.29 0.00 0.44 0.00 -1.26 -4.95 105.19 103.40 1mr6 n GLY 20 Ca 0.49 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 -1.37 -0.05 0.00 1.61 3.00 -1.24 -4.88 118.16 115.23 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 -2.96 0.00 -3.23 3.14 3.02 -1.14 -3.23 115.26 110.87 1mr6 n ASN 22 Ca 0.00 -1.00 -0.08 0.00 -0.03 0.00 0.00 54.58 53.47 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 0.09 2.41 1.01 0.39 -4.81 121.20 120.29 1mr6 s ILE 23 Ca 0.00 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 59.70 1mr6 s ILE 23 Cb 0.00 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 1mr6 s ILE 23 CO 0.00 0.00 0.03 0.00 0.00 0.00 0.00 174.94 174.97 1mr6 s VAL 25 N -1.35 0.02 -0.18 0.00 -7.23 -0.61 -2.35 120.40 108.70 1mr6 s VAL 25 Ca 0.27 -0.14 -0.13 0.00 -1.81 0.00 0.00 61.98 60.17 1mr6 s VAL 25 Cb -0.12 -0.73 0.06 0.00 0.56 0.00 0.00 36.38 36.14 1mr6 s VAL 25 CO 0.20 -0.08 0.46 -1.59 -0.31 0.00 0.00 175.10 173.78 1mr6 s LYS 26 N -0.52 0.48 0.09 4.82 -2.85 -0.92 -1.43 119.74 119.42 1mr6 s LYS 26 Ca -0.06 0.79 -0.00 0.00 -1.00 0.00 0.00 55.97 55.69 1mr6 s LYS 26 Cb -0.03 0.10 -0.04 0.00 -2.06 0.00 0.00 37.83 35.80 1mr6 s LYS 26 CO 0.04 -0.12 0.25 1.03 0.10 0.00 0.00 175.35 176.65 1mr6 s ARG 27 N 1.01 3.47 -0.23 1.78 0.52 -0.65 -2.27 118.95 122.58 1mr6 s ARG 27 Ca -0.06 -0.40 -0.03 0.00 -0.52 0.00 0.00 55.73 54.72 1mr6 s ARG 27 Cb -0.06 -2.99 0.12 0.00 0.52 0.00 0.00 34.95 32.53 1mr6 s ARG 27 CO -0.09 0.57 0.30 -1.54 0.02 0.00 0.00 175.30 174.56 1mr6 s SER 28 N -2.62 0.85 0.32 0.23 1.04 -1.02 -1.56 113.70 110.94 1mr6 s SER 28 Ca 0.36 -0.04 0.03 0.00 0.48 0.00 0.00 55.95 56.78 1mr6 s SER 28 Cb -0.13 0.74 -0.04 0.00 0.10 0.00 0.00 66.02 66.70 1mr6 s SER 28 CO 0.28 -0.32 0.13 -1.66 0.98 0.00 0.00 173.24 172.65 1mr6 s TRP 29 N 2.43 1.67 -0.14 5.02 -2.14 -0.74 -2.92 118.94 122.13 1mr6 s TRP 29 Ca 0.10 -1.28 0.16 0.00 2.66 0.00 0.00 56.10 57.74 1mr6 s TRP 29 Cb -0.15 -0.96 0.30 0.00 -3.10 0.00 0.00 33.47 29.55 1mr6 s TRP 29 CO -0.15 -0.40 1.15 -2.37 -2.66 0.00 0.00 176.95 172.53 1mr6 n THR 30 N -0.63 1.80 -1.62 0.66 5.66 -1.26 -0.92 114.28 117.97 1mr6 n THR 30 Ca -0.01 -2.30 -0.44 0.00 -3.05 0.00 0.00 64.05 58.26 1mr6 n THR 30 Cb 0.65 -0.17 -0.04 0.00 -1.55 0.00 0.00 70.33 69.22 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 -1.26 1.51 -2.72 1.79 0.00 -1.22 -4.58 120.51 114.03 1mr6 n ALA 31 Ca 0.15 0.03 -0.36 0.00 0.00 0.00 0.00 53.44 53.26 1mr6 n ALA 31 Cb 0.66 -2.74 -0.07 0.00 0.00 0.00 0.00 19.45 17.31 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 6.10 5.30 0.00 0.00 0.11 -1.26 -4.74 120.40 125.91 1mr6 s VAL 32 Ca 0.96 0.52 0.00 0.00 -2.93 0.00 0.00 61.98 60.53 1mr6 s VAL 32 Cb -0.47 -3.61 0.00 0.00 -1.53 0.00 0.00 36.38 30.77 1mr6 s VAL 32 CO 0.42 0.43 0.00 0.54 -3.33 0.00 0.00 175.10 173.16 1mr6 n ARG 33 N 3.24 1.86 0.01 1.54 1.74 -1.26 -5.05 116.66 118.74 1mr6 n ARG 33 Ca -0.13 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.77 1mr6 n ARG 33 Cb 0.52 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.85 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 0.50 -6.86 -0.13 0.00 -1.98 -3.38 103.07 91.22 1mr6 h GLY 34 Ca 0.00 -0.87 -0.61 0.00 0.00 0.00 0.00 47.33 45.84 1mr6 h GLY 34 CO 0.00 0.77 -0.59 1.22 0.00 0.00 0.00 176.54 177.94 1mr6 n ASP 35 N -4.17 3.09 -3.64 0.19 9.92 -1.26 -5.04 116.55 115.64 1mr6 n ASP 35 Ca -0.10 -3.24 0.01 0.00 -0.53 0.00 0.00 54.79 50.92 1mr6 n ASP 35 Cb 0.70 -0.73 -0.00 0.00 -0.64 0.00 0.00 41.12 40.44 1mr6 n ASP 35 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1mr6 s GLY 36 N -1.66 -0.37 0.00 0.44 0.00 -1.26 -5.17 107.32 99.30 1mr6 s GLY 36 Ca 0.28 0.57 0.00 0.00 0.00 0.00 0.00 44.72 45.58 1mr6 s GLY 36 CO -0.14 0.63 0.00 -1.55 0.00 0.00 0.00 173.10 172.05 1mr6 n PRO 37 N -0.53 0.87 0.00 2.90 -0.04 -1.26 -4.61 135.00 132.33 1mr6 n PRO 37 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1mr6 n PRO 37 Cb 0.62 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.08 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 -0.12 0.00 -2.50 0.54 4.81 -1.26 -4.29 118.16 115.33 1mr6 n LYS 38 Ca 0.00 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.03 1mr6 n LYS 38 Cb 0.00 -0.19 -0.03 0.00 0.02 0.00 0.00 35.03 34.83 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 -0.47 3.20 -0.10 1.64 3.52 -1.26 -3.46 118.95 122.03 1mr6 s ARG 39 Ca 0.00 -0.31 -0.14 0.00 -0.13 0.00 0.00 55.73 55.15 1mr6 s ARG 39 Cb 0.00 -4.39 -0.05 0.00 -1.56 0.00 0.00 34.95 28.95 1mr6 s ARG 39 CO 0.00 -2.22 0.35 -1.21 -0.81 0.00 0.00 175.30 171.40 1mr6 s GLU 40 N 5.75 4.10 0.00 5.12 0.41 -0.10 -4.87 118.70 129.10 1mr6 s GLU 40 Ca 0.40 0.24 0.00 0.00 -0.41 0.00 0.00 54.97 55.19 1mr6 s GLU 40 Cb -0.07 -3.35 0.00 0.00 -1.78 0.00 0.00 34.13 28.93 1mr6 s GLU 40 CO 0.11 0.41 0.00 0.44 -0.49 0.00 0.00 175.26 175.73 1mr6 n ILE 41 N 2.93 0.00 -3.73 -1.63 -5.35 -1.26 -1.79 119.36 108.54 1mr6 n ILE 41 Ca -0.12 0.00 -0.00 0.00 -0.27 0.00 0.00 62.75 62.35 1mr6 n ILE 41 Cb 0.52 0.00 -0.00 0.00 -1.74 0.00 0.00 39.64 38.42 1mr6 n ILE 41 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1mr6 s ARG 42 N -1.11 0.76 0.21 6.28 3.52 -0.60 -4.83 118.95 123.18 1mr6 s ARG 42 Ca 0.00 -0.44 -0.12 0.00 -0.13 0.00 0.00 55.73 55.04 1mr6 s ARG 42 Cb 0.00 0.24 -0.00 0.00 -1.56 0.00 0.00 34.95 33.63 1mr6 s ARG 42 CO 0.00 -0.35 0.42 1.03 -0.81 0.00 0.00 175.30 175.59 1mr6 s ARG 43 N -2.61 1.39 0.00 5.12 3.00 -1.26 -1.63 118.95 122.96 1mr6 s ARG 43 Ca 0.16 -1.16 0.00 0.00 0.00 0.00 0.00 55.73 54.73 1mr6 s ARG 43 Cb 0.01 0.45 0.00 0.00 0.00 0.00 0.00 34.95 35.41 1mr6 s ARG 43 CO -0.00 -0.56 0.00 -1.91 0.00 0.00 0.00 175.30 172.82 1mr6 n GLU 44 N -0.32 0.00 -3.96 3.54 2.13 -0.51 -4.93 120.64 116.58 1mr6 n GLU 44 Ca -0.05 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.41 1mr6 n GLU 44 Cb 0.62 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.27 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 2.08 -0.87 0.05 0.00 0.00 -1.02 -4.90 120.51 115.86 1mr6 n ALA 46 Ca -0.20 -0.53 -0.08 0.00 0.00 0.00 0.00 53.44 52.63 1mr6 n ALA 46 Cb 0.55 0.40 -0.06 0.00 0.00 0.00 0.00 19.45 20.34 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 -0.22 0.00 0.00 0.00 -1.88 1.14 119.26 120.30 1mr6 h ALA 47 Ca -0.14 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1mr6 h ALA 47 Cb 0.54 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1mr6 h ALA 47 CO 0.18 -0.25 -0.23 0.25 0.00 0.00 0.00 179.25 179.20 1mr6 n THR 48 N -4.90 0.95 -3.68 0.00 -2.24 -1.26 -4.26 114.28 98.88 1mr6 n THR 48 Ca -0.06 0.28 -0.01 0.00 -2.27 0.00 0.00 64.05 61.99 1mr6 n THR 48 Cb 0.22 -1.64 -0.01 0.00 -2.10 0.00 0.00 70.33 66.80 1mr6 n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mr6 n PRO 50 N -0.49 0.00 0.00 0.00 -0.04 -1.26 -4.74 135.00 128.47 1mr6 n PRO 50 Ca -0.07 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 1mr6 n PRO 50 Cb 0.62 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 1mr6 n PRO 50 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1mr6 n PRO 51 N -1.89 0.00 0.00 0.54 -0.04 -1.26 -5.06 135.00 127.29 1mr6 n PRO 51 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1mr6 n PRO 51 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1mr6 n PRO 51 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1mr6 n SER 52 N 0.00 0.00 0.00 3.54 2.88 -1.26 -5.05 113.62 113.73 1mr6 n SER 52 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1mr6 n SER 52 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1mr6 n SER 52 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1mr6 n LYS 53 N 0.00 0.00 0.00 -1.46 5.02 -1.26 -4.75 118.16 115.71 1mr6 n LYS 53 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1mr6 n LYS 53 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1mr6 n LYS 53 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1mr6 n LEU 54 N -1.86 0.00 -0.59 -0.35 4.32 -1.26 -0.32 117.00 116.93 1mr6 n LEU 54 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 56.01 56.04 1mr6 n LEU 54 Cb 0.00 0.00 0.14 0.00 -1.62 0.00 0.00 43.42 41.94 1mr6 n LEU 54 CO 0.00 -0.02 0.62 0.61 -1.22 0.00 0.00 177.39 177.38 1mr6 n GLY 55 N 0.00 0.51 3.91 -0.72 0.00 -1.26 -4.85 105.19 102.78 1mr6 n GLY 55 Ca 0.00 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.00 4.17 -0.43 0.99 2.96 0.56 -4.98 118.68 120.95 1mr6 s LEU 56 Ca 0.21 0.60 -0.16 0.00 -0.22 0.00 0.00 54.13 54.57 1mr6 s LEU 56 Cb 0.11 -3.37 0.04 0.00 0.50 0.00 0.00 46.19 43.47 1mr6 s LEU 56 CO 0.14 -0.08 0.36 -0.89 -1.32 0.00 0.00 176.35 174.56 1mr6 s THR 57 N -1.89 5.22 0.26 3.68 2.01 -1.15 -4.62 115.64 119.15 1mr6 s THR 57 Ca 0.42 -0.75 -0.14 0.00 0.31 0.00 0.00 61.69 61.52 1mr6 s THR 57 Cb -0.11 -4.02 -0.08 0.00 0.01 0.00 0.00 72.50 68.30 1mr6 s THR 57 CO 0.28 -0.43 0.66 -0.69 -0.69 0.00 0.00 174.62 173.75 1mr6 s VAL 58 N 1.75 4.76 -0.28 3.82 1.01 -1.26 -2.43 120.40 127.77 1mr6 s VAL 58 Ca 0.06 0.83 -0.03 0.00 0.00 0.00 0.00 61.98 62.83 1mr6 s VAL 58 Cb -0.21 -3.66 0.11 0.00 0.00 0.00 0.00 36.38 32.63 1mr6 s VAL 58 CO 0.09 -0.05 0.17 0.12 0.00 0.00 0.00 175.10 175.43 1mr6 s PHE 59 N -1.82 0.09 0.57 5.22 5.36 -0.96 -4.99 117.98 121.45 1mr6 s PHE 59 Ca 0.49 -0.61 0.07 0.00 -0.96 0.00 0.00 56.93 55.92 1mr6 s PHE 59 Cb -0.12 -0.75 0.07 0.00 -0.34 0.00 0.00 43.02 41.88 1mr6 s PHE 59 CO 0.19 -0.82 0.60 0.00 -1.46 0.00 0.00 175.22 173.73 1mr6 n THR 62 N 5.04 5.03 -3.89 0.00 -2.24 -1.26 -2.44 114.28 114.52 1mr6 n THR 62 Ca -0.14 -4.50 -0.03 0.00 -2.27 0.00 0.00 64.05 57.11 1mr6 n THR 62 Cb 0.52 -2.13 0.02 0.00 -2.10 0.00 0.00 70.33 66.64 1mr6 n THR 62 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1mr6 s THR 63 N -0.94 0.00 0.40 4.28 -1.32 -1.26 -5.10 115.64 111.70 1mr6 s THR 63 Ca 0.48 -0.54 -0.05 0.00 -1.21 0.00 0.00 61.69 60.36 1mr6 s THR 63 Cb 0.15 -2.88 0.08 0.00 -1.51 0.00 0.00 72.50 68.35 1mr6 s THR 63 CO -0.06 0.00 0.19 -0.90 -2.21 0.00 0.00 174.62 171.64 1mr6 n ASP 64 N -1.19 -1.96 -3.84 8.08 5.68 -1.21 -4.43 116.55 117.67 1mr6 n ASP 64 Ca -0.02 -0.19 -0.53 0.00 -0.50 0.00 0.00 54.79 53.54 1mr6 n ASP 64 Cb 0.59 -0.29 -0.11 0.00 -1.14 0.00 0.00 41.12 40.17 1mr6 n ASP 64 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1mr6 n ASN 65 N -1.95 0.65 0.00 -1.12 3.02 0.60 -4.46 115.26 112.01 1mr6 n ASN 65 Ca 0.03 0.59 -0.01 0.00 -0.03 0.00 0.00 54.58 55.16 1mr6 n ASN 65 Cb 0.13 -0.81 -0.00 0.00 -0.61 0.00 0.00 39.78 38.49 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 -3.11 -0.67 0.00 0.00 4.13 -1.26 -4.83 115.26 109.52 1mr6 n ASN 67 Ca -0.02 -0.35 0.15 0.00 1.68 0.00 0.00 54.58 56.04 1mr6 n ASN 67 Cb 0.07 -0.73 0.90 0.00 -1.54 0.00 0.00 39.78 38.48 1mr6 n ASN 67 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54