#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 3.00 -0.28 0.03 -0.21 -1.26 0.21 119.66 121.15 1mr6 s GLN 2 Ca 0.00 -0.93 -0.01 0.00 0.02 0.00 0.00 55.36 54.44 1mr6 s GLN 2 Cb 0.00 -3.46 0.13 0.00 1.00 0.00 0.00 33.01 30.67 1mr6 s GLN 2 CO 0.00 -0.51 0.27 0.00 -2.12 0.00 0.00 175.29 172.92 1mr6 n LYS 4 N 5.30 0.00 -2.80 0.00 0.00 -0.58 -4.41 118.16 115.68 1mr6 n LYS 4 Ca -0.03 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.19 1mr6 n LYS 4 Cb 0.46 -0.76 0.03 0.00 -0.00 0.00 0.00 35.03 34.77 1mr6 n LYS 4 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1mr6 n THR 5 N -1.52 -0.08 -0.49 0.58 -2.24 -1.26 -4.60 114.28 104.67 1mr6 n THR 5 Ca 0.02 -1.71 0.00 0.00 -2.27 0.00 0.00 64.05 60.09 1mr6 n THR 5 Cb 0.39 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 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 1.75 -0.08 0.00 7.64 -1.26 -4.52 113.62 117.15 1mr6 n SER 7 Ca 0.00 -3.00 0.00 0.00 1.01 0.00 0.00 58.87 56.88 1mr6 n SER 7 Cb 0.00 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 1mr6 n SER 7 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1mr6 n PHE 8 N -1.02 -0.03 0.00 1.43 3.72 -1.26 -5.04 117.46 115.25 1mr6 n PHE 8 Ca 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 1mr6 n PHE 8 Cb 0.69 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.23 1mr6 n PHE 8 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1mr6 n TYR 9 N 0.00 0.00 -0.99 1.38 4.01 -1.26 -4.91 117.16 115.39 1mr6 n TYR 9 Ca 0.00 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.41 1mr6 n TYR 9 Cb 0.00 -0.01 0.14 0.00 -0.31 0.00 0.00 39.34 39.15 1mr6 n TYR 9 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1mr6 n THR 10 N -0.84 1.43 -3.62 -0.72 5.66 -1.24 -4.72 114.28 110.22 1mr6 n THR 10 Ca 0.00 -0.16 -0.19 0.00 -3.05 0.00 0.00 64.05 60.65 1mr6 n THR 10 Cb 0.00 -1.10 -0.16 0.00 -1.55 0.00 0.00 70.33 67.52 1mr6 n THR 10 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1mr6 h PRO 12 N 8.37 0.00 0.00 0.00 0.13 -1.95 -3.45 132.00 135.09 1mr6 h PRO 12 Ca -0.14 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.39 1mr6 h PRO 12 Cb 1.13 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.18 1mr6 h PRO 12 CO 0.19 0.00 -0.35 0.09 -0.23 0.00 0.00 178.00 177.70 1mr6 n ASN 13 N -3.00 3.01 -4.22 1.44 4.13 -1.26 -5.15 115.26 110.21 1mr6 n ASN 13 Ca 0.03 -3.00 -0.19 0.00 1.68 0.00 0.00 54.58 53.10 1mr6 n ASN 13 Cb 0.43 0.12 -0.12 0.00 -1.54 0.00 0.00 39.78 38.67 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 -3.99 1.97 -0.26 6.41 0.01 -1.26 -4.96 113.70 111.62 1mr6 s SER 14 Ca 0.18 -0.71 -0.02 0.00 1.31 0.00 0.00 55.95 56.70 1mr6 s SER 14 Cb -0.01 -0.07 0.11 0.00 0.21 0.00 0.00 66.02 66.25 1mr6 s SER 14 CO 0.11 -0.08 0.23 -0.70 0.41 0.00 0.00 173.24 173.21 1mr6 s GLU 15 N -2.18 0.24 0.09 12.44 2.12 -1.26 -4.93 118.70 125.22 1mr6 s GLU 15 Ca 0.04 -0.12 -0.26 0.00 0.36 0.00 0.00 54.97 54.99 1mr6 s GLU 15 Cb -0.08 -0.98 -0.06 0.00 0.26 0.00 0.00 34.13 33.27 1mr6 s GLU 15 CO 0.03 -0.90 0.81 -0.08 -0.54 0.00 0.00 175.26 174.58 1mr6 s THR 16 N 2.28 4.57 1.00 -1.70 -1.32 -1.26 -1.52 115.64 117.69 1mr6 s THR 16 Ca 0.08 1.75 -0.15 0.00 -1.21 0.00 0.00 61.69 62.17 1mr6 s THR 16 Cb -0.15 -4.17 0.04 0.00 -1.51 0.00 0.00 72.50 66.71 1mr6 s THR 16 CO -0.27 0.40 0.21 0.00 -2.21 0.00 0.00 174.62 172.75 1mr6 n PRO 18 N -1.50 -1.19 -1.12 0.00 -0.04 -1.26 -4.33 135.00 125.56 1mr6 n PRO 18 Ca 0.05 -0.25 -0.17 0.00 -0.04 0.00 0.00 63.50 63.09 1mr6 n PRO 18 Cb 0.56 -0.22 -0.10 0.00 -0.04 0.00 0.00 33.50 33.69 1mr6 n PRO 18 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1mr6 n ASP 19 N -3.25 5.76 0.00 3.54 8.00 -1.26 -3.64 116.55 125.70 1mr6 n ASP 19 Ca 0.02 -2.76 0.00 0.00 0.71 0.00 0.00 54.79 52.76 1mr6 n ASP 19 Cb 0.08 -1.31 0.00 0.00 -0.02 0.00 0.00 41.12 39.87 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 1.72 0.05 0.00 0.44 0.00 -1.26 -5.05 105.19 101.08 1mr6 n GLY 20 Ca 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.66 -0.01 0.00 1.61 4.76 -1.24 -4.91 118.16 117.71 1mr6 n LYS 21 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1mr6 n LYS 21 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 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 -2.43 0.00 -4.08 4.39 5.03 -1.24 -2.80 115.26 114.13 1mr6 n ASN 22 Ca 0.00 -0.14 -0.12 0.00 0.87 0.00 0.00 54.58 55.20 1mr6 n ASN 22 Cb 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 38.68 1mr6 n ASN 22 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1mr6 s ILE 23 N 0.00 0.00 -0.09 2.41 1.01 -0.07 -4.49 121.20 119.97 1mr6 s ILE 23 Ca 0.00 -1.82 -0.10 0.00 0.00 0.00 0.00 60.65 58.73 1mr6 s ILE 23 Cb 0.00 -2.42 -0.05 0.00 0.01 0.00 0.00 42.46 40.00 1mr6 s ILE 23 CO 0.00 0.00 0.23 0.00 0.00 0.00 0.00 174.94 175.17 1mr6 s VAL 25 N -0.92 0.07 -0.26 0.00 -7.23 -0.98 -2.92 120.40 108.16 1mr6 s VAL 25 Ca 0.17 -0.56 -0.01 0.00 -1.81 0.00 0.00 61.98 59.77 1mr6 s VAL 25 Cb -0.13 -0.22 0.13 0.00 0.56 0.00 0.00 36.38 36.71 1mr6 s VAL 25 CO 0.07 -0.31 0.32 -0.54 -0.31 0.00 0.00 175.10 174.33 1mr6 s LYS 26 N -0.94 0.32 0.35 4.82 1.02 -0.77 -2.74 119.74 121.79 1mr6 s LYS 26 Ca -0.10 0.14 -0.20 0.00 0.02 0.00 0.00 55.97 55.83 1mr6 s LYS 26 Cb -0.06 -0.67 -0.10 0.00 -0.52 0.00 0.00 37.83 36.48 1mr6 s LYS 26 CO -0.00 -0.85 0.86 1.03 -0.92 0.00 0.00 175.35 175.46 1mr6 s ARG 27 N 2.43 4.25 -0.25 1.68 0.52 -0.54 -2.11 118.95 124.93 1mr6 s ARG 27 Ca 0.10 1.01 -0.02 0.00 -0.52 0.00 0.00 55.73 56.30 1mr6 s ARG 27 Cb -0.14 -2.49 0.14 0.00 0.52 0.00 0.00 34.95 32.97 1mr6 s ARG 27 CO -0.24 0.15 0.36 -1.54 0.02 0.00 0.00 175.30 174.05 1mr6 s SER 28 N -2.00 0.51 0.27 0.23 1.04 -0.70 -0.87 113.70 112.19 1mr6 s SER 28 Ca 0.54 -0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.96 1mr6 s SER 28 Cb -0.13 0.99 -0.05 0.00 0.10 0.00 0.00 66.02 66.94 1mr6 s SER 28 CO 0.18 -0.32 0.11 -1.66 0.98 0.00 0.00 173.24 172.53 1mr6 s TRP 29 N 2.51 1.52 -0.19 5.02 -2.14 -0.75 -1.47 118.94 123.43 1mr6 s TRP 29 Ca 0.11 -1.24 0.12 0.00 2.66 0.00 0.00 56.10 57.76 1mr6 s TRP 29 Cb -0.15 -0.87 0.42 0.00 -3.10 0.00 0.00 33.47 29.78 1mr6 s TRP 29 CO -0.20 -0.40 1.21 -2.37 -2.66 0.00 0.00 176.95 172.53 1mr6 n THR 30 N -0.48 1.99 0.00 0.66 5.66 -1.26 0.20 114.28 121.05 1mr6 n THR 30 Ca 0.00 -3.05 0.00 0.00 -3.05 0.00 0.00 64.05 57.95 1mr6 n THR 30 Cb 0.66 -0.14 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 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 -0.94 0.00 -1.99 1.79 0.00 -1.26 -4.77 120.51 113.34 1mr6 n ALA 31 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.26 1mr6 n ALA 31 Cb 0.75 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.13 1mr6 n ALA 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1mr6 s VAL 32 N 0.00 4.44 -0.45 0.00 -7.23 -1.26 -4.99 120.40 110.91 1mr6 s VAL 32 Ca 0.00 1.48 0.06 0.00 -1.81 0.00 0.00 61.98 61.71 1mr6 s VAL 32 Cb 0.00 -3.92 0.30 0.00 0.56 0.00 0.00 36.38 33.32 1mr6 s VAL 32 CO 0.00 0.20 1.09 -2.11 -0.31 0.00 0.00 175.10 173.97 1mr6 n ARG 33 N 0.72 0.88 0.00 4.82 1.85 -1.26 -4.75 116.66 118.92 1mr6 n ARG 33 Ca -0.01 -1.76 0.13 0.00 -1.00 0.00 0.00 57.85 55.21 1mr6 n ARG 33 Cb 0.51 -1.06 0.41 0.00 -1.05 0.00 0.00 32.46 31.27 1mr6 n ARG 33 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1mr6 n GLY 34 N 0.72 -0.87 1.04 2.89 0.00 -1.26 -4.62 105.19 103.07 1mr6 n GLY 34 Ca 0.06 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1mr6 n GLY 34 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mr6 n ASP 35 N -0.96 0.00 -3.21 1.61 8.00 -1.26 -5.12 116.55 115.62 1mr6 n ASP 35 Ca 0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.61 1mr6 n ASP 35 Cb 0.33 0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 1mr6 n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mr6 n GLY 36 N -0.21 -3.33 0.00 0.44 0.00 -1.26 -5.03 105.19 95.81 1mr6 n GLY 36 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.26 0.01 0.00 1.61 -0.04 -1.26 -4.95 135.00 129.10 1mr6 n PRO 37 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1mr6 n PRO 37 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1mr6 n PRO 37 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1mr6 n LYS 38 N -0.92 0.00 -2.56 0.54 5.02 -1.26 -4.48 118.16 114.49 1mr6 n LYS 38 Ca 0.00 0.35 -0.41 0.00 -2.02 0.00 0.00 58.31 56.23 1mr6 n LYS 38 Cb 0.00 -1.00 -0.03 0.00 -0.02 0.00 0.00 35.03 33.98 1mr6 n LYS 38 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1mr6 s ARG 39 N -1.22 3.42 -0.24 1.97 3.52 -1.26 -4.42 118.95 120.72 1mr6 s ARG 39 Ca 0.00 -0.76 -0.28 0.00 -0.13 0.00 0.00 55.73 54.55 1mr6 s ARG 39 Cb 0.00 -4.86 -0.04 0.00 -1.56 0.00 0.00 34.95 28.48 1mr6 s ARG 39 CO 0.00 -2.18 2.08 -1.83 -0.81 0.00 0.00 175.30 172.56 1mr6 s GLU 40 N 5.26 3.23 0.06 5.12 1.03 0.54 -4.53 118.70 129.40 1mr6 s GLU 40 Ca 0.41 1.87 0.01 0.00 0.03 0.00 0.00 54.97 57.29 1mr6 s GLU 40 Cb -0.03 -4.31 0.01 0.00 -0.80 0.00 0.00 34.13 28.99 1mr6 s GLU 40 CO 0.00 -1.99 0.06 0.44 -1.33 0.00 0.00 175.26 172.45 1mr6 n ILE 41 N 7.57 0.00 -3.50 1.83 -5.35 -1.26 -1.82 119.36 116.83 1mr6 n ILE 41 Ca 0.27 -0.22 -0.09 0.00 -0.27 0.00 0.00 62.75 62.44 1mr6 n ILE 41 Cb 0.45 -0.65 -0.02 0.00 -1.74 0.00 0.00 39.64 37.68 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 -2.26 0.92 0.13 6.28 3.00 -0.04 -4.89 118.95 122.09 1mr6 s ARG 42 Ca 0.05 -0.35 0.04 0.00 -1.00 0.00 0.00 55.73 54.46 1mr6 s ARG 42 Cb -0.00 0.42 -0.04 0.00 0.00 0.00 0.00 34.95 35.32 1mr6 s ARG 42 CO 0.03 -0.41 -0.10 1.03 0.00 0.00 0.00 175.30 175.85 1mr6 s ARG 43 N -3.24 0.98 0.00 5.12 3.00 -1.26 -1.47 118.95 122.08 1mr6 s ARG 43 Ca 0.05 -1.34 0.00 0.00 0.00 0.00 0.00 55.73 54.44 1mr6 s ARG 43 Cb -0.01 -0.60 0.00 0.00 0.00 0.00 0.00 34.95 34.34 1mr6 s ARG 43 CO -0.09 0.08 0.00 -1.91 0.00 0.00 0.00 175.30 173.38 1mr6 n GLU 44 N 0.10 -0.61 -4.43 3.54 2.13 -1.11 -4.95 120.64 115.32 1mr6 n GLU 44 Ca -0.13 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.49 1mr6 n GLU 44 Cb 0.59 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 32.17 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 2.23 0.00 -1.00 0.00 0.00 -1.11 -4.88 120.51 115.75 1mr6 n ALA 46 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1mr6 n ALA 46 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1mr6 n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mr6 n ALA 47 N -3.00 0.00 0.22 0.00 0.00 -1.26 -0.89 120.51 115.58 1mr6 n ALA 47 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1mr6 n ALA 47 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1mr6 n ALA 47 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1mr6 h THR 48 N 0.00 0.00 -1.96 0.00 1.35 -1.97 -3.39 112.91 106.94 1mr6 h THR 48 Ca 0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1mr6 h THR 48 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 1mr6 h THR 48 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1mr6 s PRO 50 N -1.87 0.61 -1.55 0.00 0.04 -1.26 -4.68 135.00 126.28 1mr6 s PRO 50 Ca 0.00 -0.48 -0.12 0.00 0.04 0.00 0.00 61.00 60.45 1mr6 s PRO 50 Cb 0.00 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 1mr6 s PRO 50 CO 0.00 -2.42 2.62 -0.35 0.04 0.00 0.00 177.00 176.89 1mr6 n PRO 51 N -3.75 3.32 -2.37 0.56 -0.04 -1.26 -4.94 135.00 126.52 1mr6 n PRO 51 Ca 0.16 -2.40 -0.25 0.00 -0.04 0.00 0.00 63.50 60.97 1mr6 n PRO 51 Cb 0.59 -3.03 0.05 0.00 -0.04 0.00 0.00 33.50 31.08 1mr6 n PRO 51 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1mr6 s SER 52 N 2.63 5.22 0.00 3.54 0.01 -1.26 -4.94 113.70 118.90 1mr6 s SER 52 Ca 0.59 0.48 0.21 0.00 1.31 0.00 0.00 55.95 58.54 1mr6 s SER 52 Cb 0.16 -1.32 0.93 0.00 0.21 0.00 0.00 66.02 66.00 1mr6 s SER 52 CO -0.07 -1.29 1.67 0.29 0.41 0.00 0.00 173.24 174.24 1mr6 n LYS 53 N -2.68 0.08 -0.97 12.44 4.01 -1.26 -4.82 118.16 124.95 1mr6 n LYS 53 Ca 0.06 0.13 0.00 0.00 -0.51 0.00 0.00 58.31 57.99 1mr6 n LYS 53 Cb 0.59 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.61 1mr6 n LYS 53 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1mr6 n LEU 54 N -1.44 0.79 -0.00 -0.35 4.32 -1.26 -4.68 117.00 114.37 1mr6 n LEU 54 Ca 0.06 0.00 0.04 0.00 -0.02 0.00 0.00 56.01 56.09 1mr6 n LEU 54 Cb 0.22 -2.03 -0.05 0.00 -1.62 0.00 0.00 43.42 39.94 1mr6 n LEU 54 CO 0.18 -0.77 -0.26 0.61 -1.22 0.00 0.00 177.39 175.94 1mr6 n GLY 55 N 0.03 -0.03 0.00 -0.72 0.00 -1.26 -4.90 105.19 98.31 1mr6 n GLY 55 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1mr6 n GLY 55 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1mr6 n LEU 56 N -1.44 0.00 -3.30 0.99 -0.00 -1.26 -5.07 117.00 106.91 1mr6 n LEU 56 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 55.94 1mr6 n LEU 56 Cb 0.17 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.53 1mr6 n LEU 56 CO 0.17 0.00 -0.04 -0.89 -0.00 0.00 0.00 177.39 176.63 1mr6 s THR 57 N 1.24 -0.66 0.21 1.47 2.01 -0.54 -4.98 115.64 114.38 1mr6 s THR 57 Ca 0.00 -0.20 -0.08 0.00 0.31 0.00 0.00 61.69 61.72 1mr6 s THR 57 Cb 0.00 -0.94 -0.07 0.00 0.01 0.00 0.00 72.50 71.50 1mr6 s THR 57 CO 0.00 -0.21 0.51 -0.69 -0.69 0.00 0.00 174.62 173.54 1mr6 s VAL 58 N 2.58 4.99 -0.28 3.82 1.01 -1.26 -1.72 120.40 129.53 1mr6 s VAL 58 Ca 0.11 0.37 -0.03 0.00 0.00 0.00 0.00 61.98 62.43 1mr6 s VAL 58 Cb -0.13 -3.62 0.09 0.00 0.00 0.00 0.00 36.38 32.72 1mr6 s VAL 58 CO -0.25 -0.04 0.11 0.12 0.00 0.00 0.00 175.10 175.04 1mr6 s PHE 59 N -1.77 0.71 0.05 5.22 2.19 -0.90 -4.97 117.98 118.51 1mr6 s PHE 59 Ca 0.46 -1.05 0.09 0.00 0.33 0.00 0.00 56.93 56.75 1mr6 s PHE 59 Cb -0.11 -1.10 -0.03 0.00 -1.31 0.00 0.00 43.02 40.47 1mr6 s PHE 59 CO 0.22 -0.81 -0.26 0.00 1.83 0.00 0.00 175.22 176.21 1mr6 n THR 62 N 0.14 4.09 -3.59 0.00 -2.24 -1.26 -3.09 114.28 108.33 1mr6 n THR 62 Ca -0.15 -5.69 -0.13 0.00 -2.27 0.00 0.00 64.05 55.81 1mr6 n THR 62 Cb 0.61 -1.59 -0.05 0.00 -2.10 0.00 0.00 70.33 67.20 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 -4.04 0.04 0.99 4.28 -4.23 -1.26 -5.11 115.64 106.31 1mr6 s THR 63 Ca 0.43 -0.33 -0.17 0.00 -1.18 0.00 0.00 61.69 60.45 1mr6 s THR 63 Cb 0.22 -1.01 -0.11 0.00 1.34 0.00 0.00 72.50 72.94 1mr6 s THR 63 CO -0.10 -0.18 -0.57 -0.90 -0.54 0.00 0.00 174.62 172.33 1mr6 n ASP 64 N 0.23 -5.00 0.00 3.99 5.68 -1.25 -3.66 116.55 116.55 1mr6 n ASP 64 Ca -0.18 0.20 0.00 0.00 -0.50 0.00 0.00 54.79 54.31 1mr6 n ASP 64 Cb 0.61 -0.85 0.00 0.00 -1.14 0.00 0.00 41.12 39.74 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 2.37 0.00 -0.02 -1.12 3.02 0.52 -4.72 115.26 115.30 1mr6 n ASN 65 Ca -0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.34 1mr6 n ASN 65 Cb 0.56 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.60 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 -3.97 5.53 0.00 0.00 4.05 -1.26 -5.09 115.26 114.51 1mr6 n ASN 67 Ca -0.27 -3.05 0.00 0.00 0.45 0.00 0.00 54.58 51.71 1mr6 n ASN 67 Cb 0.87 -1.39 0.00 0.00 1.23 0.00 0.00 39.78 40.48 1mr6 n ASN 67 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21