#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 0.43 -0.25 3.17 -0.21 -1.26 -2.48 119.66 119.06 1mr6 s GLN 2 Ca 0.00 1.17 -0.02 0.00 0.02 0.00 0.00 55.36 56.53 1mr6 s GLN 2 Cb 0.00 0.51 0.14 0.00 1.00 0.00 0.00 33.01 34.66 1mr6 s GLN 2 CO 0.00 -0.26 0.39 0.00 -2.12 0.00 0.00 175.29 173.29 1mr6 s LYS 4 N 2.55 4.19 -0.41 0.00 2.47 -1.24 -4.71 119.74 122.59 1mr6 s LYS 4 Ca 0.13 2.46 0.06 0.00 -1.56 0.00 0.00 55.97 57.06 1mr6 s LYS 4 Cb -0.15 -3.02 0.21 0.00 -1.46 0.00 0.00 37.83 33.41 1mr6 s LYS 4 CO -0.17 -0.46 0.44 0.25 0.16 0.00 0.00 175.35 175.58 1mr6 n THR 5 N 1.12 -0.85 -2.11 3.43 -2.24 -1.26 -4.61 114.28 107.76 1mr6 n THR 5 Ca 0.03 -3.78 -0.08 0.00 -2.27 0.00 0.00 64.05 57.95 1mr6 n THR 5 Cb 0.40 -1.82 0.05 0.00 -2.10 0.00 0.00 70.33 66.85 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 -3.04 1.70 -3.16 0.00 7.64 -1.26 -4.21 113.62 111.28 1mr6 n SER 7 Ca 0.05 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.75 1mr6 n SER 7 Cb 0.19 1.31 0.15 0.00 -1.01 0.00 0.00 64.21 64.85 1mr6 n SER 7 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1mr6 n PHE 8 N -2.21 -3.71 -1.89 1.43 -0.00 -1.26 -4.85 117.46 104.96 1mr6 n PHE 8 Ca -0.11 -0.66 -0.29 0.00 -0.00 0.00 0.00 57.45 56.40 1mr6 n PHE 8 Cb 0.61 -0.68 0.04 0.00 -0.00 0.00 0.00 39.48 39.45 1mr6 n PHE 8 CO 0.00 0.00 0.00 2.48 -0.00 0.00 0.00 176.76 179.24 1mr6 n TYR 9 N -3.67 3.01 0.00 -5.13 4.11 -1.26 -4.74 117.16 109.48 1mr6 n TYR 9 Ca 0.10 -2.59 0.00 0.00 -0.00 0.00 0.00 57.90 55.41 1mr6 n TYR 9 Cb 0.36 -0.68 0.00 0.00 -0.00 0.00 0.00 39.34 39.02 1mr6 n TYR 9 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.86 174.49 1mr6 n THR 10 N -0.72 0.00 -3.81 -3.48 5.66 -1.26 -5.09 114.28 105.58 1mr6 n THR 10 Ca 0.49 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 61.15 1mr6 n THR 10 Cb 0.78 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.44 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 3.29 0.12 -0.25 0.00 -0.04 -1.26 -4.51 135.00 132.34 1mr6 n PRO 12 Ca 0.07 0.04 -0.30 0.00 -0.04 0.00 0.00 63.50 63.28 1mr6 n PRO 12 Cb 0.35 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.60 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 -1.43 -4.04 -4.61 3.54 3.02 -1.26 -5.01 115.26 105.47 1mr6 n ASN 13 Ca 0.08 -0.82 -0.29 0.00 -0.03 0.00 0.00 54.58 53.52 1mr6 n ASN 13 Cb 0.28 -1.01 -0.09 0.00 -0.61 0.00 0.00 39.78 38.35 1mr6 n ASN 13 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1mr6 s SER 14 N -2.99 4.53 -0.34 6.41 0.01 -1.26 -4.84 113.70 115.22 1mr6 s SER 14 Ca 0.66 -0.37 0.05 0.00 1.31 0.00 0.00 55.95 57.60 1mr6 s SER 14 Cb -0.12 -0.91 0.18 0.00 0.21 0.00 0.00 66.02 65.38 1mr6 s SER 14 CO 0.56 0.16 0.53 -0.70 0.41 0.00 0.00 173.24 174.20 1mr6 s GLU 15 N -2.39 0.62 0.69 12.44 2.12 -1.26 -4.96 118.70 125.97 1mr6 s GLU 15 Ca 0.23 -0.01 -0.17 0.00 0.36 0.00 0.00 54.97 55.39 1mr6 s GLU 15 Cb -0.11 -0.06 0.00 0.00 0.26 0.00 0.00 34.13 34.22 1mr6 s GLU 15 CO 0.15 -1.11 1.10 2.41 -0.54 0.00 0.00 175.26 177.27 1mr6 n THR 16 N 4.91 3.61 -4.39 -1.70 -1.04 -1.26 -2.07 114.28 112.34 1mr6 n THR 16 Ca 0.07 -0.42 -0.34 0.00 -2.04 0.00 0.00 64.05 61.32 1mr6 n THR 16 Cb 0.53 -1.25 -0.12 0.00 -1.82 0.00 0.00 70.33 67.67 1mr6 n THR 16 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mr6 n PRO 18 N 3.46 1.16 -1.02 0.00 -0.04 -1.26 -4.36 135.00 132.94 1mr6 n PRO 18 Ca -0.17 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.42 1mr6 n PRO 18 Cb 0.52 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.94 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 -0.40 -6.10 -0.86 3.54 8.00 -1.26 -4.12 116.55 115.35 1mr6 n ASP 19 Ca 0.00 0.66 0.03 0.00 0.71 0.00 0.00 54.79 56.19 1mr6 n ASP 19 Cb 0.00 -3.25 0.14 0.00 -0.02 0.00 0.00 41.12 37.99 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 -3.67 1.53 0.00 0.44 0.00 -1.26 -4.83 105.19 97.39 1mr6 n GLY 20 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1mr6 n GLY 20 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1mr6 n LYS 21 N 0.24 1.75 0.00 1.61 2.85 -1.26 -5.00 118.16 118.35 1mr6 n LYS 21 Ca 0.10 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.36 1mr6 n LYS 21 Cb 0.49 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.87 1mr6 n LYS 21 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1mr6 n ASN 22 N 0.00 0.00 -3.27 -5.58 3.02 -0.72 -4.82 115.26 103.89 1mr6 n ASN 22 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.47 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 0.13 2.41 1.01 0.17 -4.85 121.20 120.07 1mr6 s ILE 23 Ca 0.00 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 59.69 1mr6 s ILE 23 Cb 0.00 -2.56 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 1mr6 s ILE 23 CO 0.00 0.00 0.13 0.00 0.00 0.00 0.00 174.94 175.07 1mr6 s VAL 25 N -1.61 0.05 0.00 0.00 -7.23 -0.08 -2.37 120.40 109.17 1mr6 s VAL 25 Ca 0.31 -0.44 -0.26 0.00 -1.81 0.00 0.00 61.98 59.78 1mr6 s VAL 25 Cb -0.11 -1.02 0.06 0.00 0.56 0.00 0.00 36.38 35.87 1mr6 s VAL 25 CO 0.24 -0.24 0.59 -0.75 -0.31 0.00 0.00 175.10 174.63 1mr6 s LYS 26 N -2.90 1.04 -0.05 4.82 2.20 -0.05 -2.08 119.74 122.72 1mr6 s LYS 26 Ca -0.03 -0.00 -0.03 0.00 -0.36 0.00 0.00 55.97 55.55 1mr6 s LYS 26 Cb 0.00 0.48 0.03 0.00 -1.51 0.00 0.00 37.83 36.83 1mr6 s LYS 26 CO -0.05 -0.36 0.12 1.03 -0.36 0.00 0.00 175.35 175.73 1mr6 s ARG 27 N -1.85 0.08 -0.03 4.03 3.00 -0.01 -0.67 118.95 123.50 1mr6 s ARG 27 Ca -0.08 0.27 0.04 0.00 0.00 0.00 0.00 55.73 55.96 1mr6 s ARG 27 Cb -0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 34.95 34.83 1mr6 s ARG 27 CO 0.04 -0.12 -0.15 -1.54 0.00 0.00 0.00 175.30 173.53 1mr6 s SER 28 N 0.80 1.83 -0.14 0.23 1.04 -1.07 -0.78 113.70 115.61 1mr6 s SER 28 Ca -0.06 -0.29 -0.15 0.00 0.48 0.00 0.00 55.95 55.93 1mr6 s SER 28 Cb -0.08 -0.45 0.04 0.00 0.10 0.00 0.00 66.02 65.62 1mr6 s SER 28 CO -0.04 0.13 0.41 -1.66 0.98 0.00 0.00 173.24 173.07 1mr6 s TRP 29 N 0.02 -0.43 0.43 5.02 -2.14 -1.14 -3.14 118.94 117.56 1mr6 s TRP 29 Ca -0.02 1.02 -0.21 0.00 2.66 0.00 0.00 56.10 59.54 1mr6 s TRP 29 Cb -0.10 0.15 -0.11 0.00 -3.10 0.00 0.00 33.47 30.32 1mr6 s TRP 29 CO 0.01 -0.25 0.96 -0.08 -2.66 0.00 0.00 176.95 174.94 1mr6 s THR 30 N 0.01 4.30 0.00 0.66 -1.32 -1.26 -0.79 115.64 117.24 1mr6 s THR 30 Ca -0.02 1.48 0.00 0.00 -1.21 0.00 0.00 61.69 61.94 1mr6 s THR 30 Cb -0.03 -3.62 0.00 0.00 -1.51 0.00 0.00 72.50 67.34 1mr6 s THR 30 CO 0.01 -0.26 0.00 0.00 -2.21 0.00 0.00 174.62 172.16 1mr6 n ALA 31 N -0.56 0.00 -2.68 11.08 0.00 -1.19 -4.94 120.51 122.22 1mr6 n ALA 31 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.08 1mr6 n ALA 31 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.94 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 0.00 4.37 -0.02 0.00 0.11 -1.26 -4.86 120.40 118.74 1mr6 s VAL 32 Ca 0.00 0.18 -0.03 0.00 -2.93 0.00 0.00 61.98 59.20 1mr6 s VAL 32 Cb 0.00 -4.57 -0.01 0.00 -1.53 0.00 0.00 36.38 30.28 1mr6 s VAL 32 CO 0.00 -1.18 -0.05 0.54 -3.33 0.00 0.00 175.10 171.08 1mr6 n ARG 33 N 7.52 0.08 0.00 1.54 1.74 -1.26 -5.06 116.66 121.22 1mr6 n ARG 33 Ca 0.01 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1mr6 n ARG 33 Cb 0.47 -0.54 0.00 0.00 -1.02 0.00 0.00 32.46 31.37 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 1.98 0.60 0.22 -0.13 0.00 -1.26 -5.00 105.19 101.60 1mr6 n GLY 34 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1mr6 n GLY 34 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mr6 n ASP 35 N -0.09 0.17 -3.01 1.61 2.03 -1.26 -5.09 116.55 110.92 1mr6 n ASP 35 Ca 0.00 -1.56 0.00 0.00 0.52 0.00 0.00 54.79 53.75 1mr6 n ASP 35 Cb 0.00 -0.10 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 1mr6 n ASP 35 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1mr6 n GLY 36 N -0.08 -3.24 0.00 0.27 0.00 -1.26 -5.04 105.19 95.84 1mr6 n GLY 36 Ca 0.01 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.51 0.76 0.00 1.61 -0.04 -1.26 -5.00 135.00 129.56 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 1.17 -0.04 0.00 0.00 175.50 176.63 1mr6 n LYS 38 N -0.22 0.00 -2.56 0.54 3.00 -1.26 -4.80 118.16 112.86 1mr6 n LYS 38 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.88 1mr6 n LYS 38 Cb 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 35.03 34.94 1mr6 n LYS 38 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1mr6 s ARG 39 N 0.00 3.62 -0.80 1.64 0.52 -1.26 -3.19 118.95 119.49 1mr6 s ARG 39 Ca 0.00 0.50 -0.26 0.00 -0.52 0.00 0.00 55.73 55.46 1mr6 s ARG 39 Cb 0.00 -3.96 0.02 0.00 0.52 0.00 0.00 34.95 31.53 1mr6 s ARG 39 CO 0.00 -1.52 1.45 -1.21 0.02 0.00 0.00 175.30 174.04 1mr6 s GLU 40 N 4.71 3.16 -0.30 3.54 0.41 0.03 -4.65 118.70 125.60 1mr6 s GLU 40 Ca 0.48 -0.32 -0.05 0.00 -0.41 0.00 0.00 54.97 54.67 1mr6 s GLU 40 Cb -0.08 -4.54 -0.10 0.00 -1.78 0.00 0.00 34.13 27.63 1mr6 s GLU 40 CO 0.30 -2.33 3.17 0.44 -0.49 0.00 0.00 175.26 176.35 1mr6 n ILE 41 N 6.72 3.26 -0.99 -1.63 -6.64 -1.20 -2.88 119.36 116.00 1mr6 n ILE 41 Ca 0.15 -2.32 -0.36 0.00 -1.77 0.00 0.00 62.75 58.45 1mr6 n ILE 41 Cb 0.50 -1.83 0.04 0.00 -1.44 0.00 0.00 39.64 36.91 1mr6 n ILE 41 CO 0.00 0.00 0.00 -1.14 -1.77 0.00 0.00 176.55 173.64 1mr6 n ARG 42 N 1.74 0.00 -4.24 6.28 3.00 0.04 -4.12 116.66 119.36 1mr6 n ARG 42 Ca 0.47 0.00 -0.19 0.00 -0.00 0.00 0.00 57.85 58.13 1mr6 n ARG 42 Cb 0.71 -0.99 -0.07 0.00 0.00 0.00 0.00 32.46 32.10 1mr6 n ARG 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1mr6 n ARG 43 N 2.47 0.44 0.00 -0.14 1.74 -1.26 -0.83 116.66 119.08 1mr6 n ARG 43 Ca -0.02 -3.33 0.00 0.00 -0.77 0.00 0.00 57.85 53.73 1mr6 n ARG 43 Cb 0.57 2.77 0.00 0.00 -1.02 0.00 0.00 32.46 34.78 1mr6 n ARG 43 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1mr6 n GLU 44 N -0.64 -0.47 -4.60 5.56 0.00 -0.88 -4.90 120.64 114.71 1mr6 n GLU 44 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 57.16 56.90 1mr6 n GLU 44 Cb 0.61 0.00 -0.11 0.00 0.00 0.00 0.00 31.44 31.94 1mr6 n GLU 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1mr6 n ALA 46 N 2.15 0.00 0.05 0.00 0.00 -1.07 -4.88 120.51 116.76 1mr6 n ALA 46 Ca -0.18 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.22 1mr6 n ALA 46 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.24 0.00 0.00 0.00 -1.89 0.50 119.26 119.63 1mr6 h ALA 47 Ca 0.00 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 1mr6 h ALA 47 Cb 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1mr6 h ALA 47 CO 0.00 -0.23 -1.61 0.25 0.00 0.00 0.00 179.25 177.66 1mr6 n THR 48 N -4.93 0.70 -4.01 0.00 -2.24 -1.26 -4.43 114.28 98.12 1mr6 n THR 48 Ca -0.04 -0.14 0.03 0.00 -2.27 0.00 0.00 64.05 61.63 1mr6 n THR 48 Cb 0.13 -1.68 0.01 0.00 -2.10 0.00 0.00 70.33 66.69 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 -2.01 -2.90 0.00 0.00 0.04 -1.26 -4.82 135.00 124.06 1mr6 s PRO 50 Ca 0.25 0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.30 1mr6 s PRO 50 Cb -0.00 -1.39 0.00 0.00 0.04 0.00 0.00 34.50 33.14 1mr6 s PRO 50 CO -0.01 -4.83 0.40 -0.35 0.04 0.00 0.00 177.00 172.25 1mr6 n PRO 51 N -5.57 0.71 -1.59 0.56 -0.04 -1.26 -4.88 135.00 122.92 1mr6 n PRO 51 Ca 0.14 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.24 1mr6 n PRO 51 Cb 0.61 -1.30 0.08 0.00 -0.04 0.00 0.00 33.50 32.84 1mr6 n PRO 51 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1mr6 n SER 52 N 0.06 1.67 -1.64 3.54 7.64 -1.26 -4.88 113.62 118.74 1mr6 n SER 52 Ca 0.00 0.78 0.08 0.00 1.01 0.00 0.00 58.87 60.73 1mr6 n SER 52 Cb 0.15 -1.52 0.37 0.00 -1.01 0.00 0.00 64.21 62.20 1mr6 n SER 52 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1mr6 n LYS 53 N -2.04 4.37 0.00 1.43 3.00 -1.26 -4.87 118.16 118.79 1mr6 n LYS 53 Ca 0.15 -3.07 0.00 0.00 -0.00 0.00 0.00 58.31 55.39 1mr6 n LYS 53 Cb 0.48 -2.14 0.00 0.00 0.00 0.00 0.00 35.03 33.38 1mr6 n LYS 53 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1mr6 n LEU 54 N 0.42 0.00 0.16 3.14 -0.00 -1.26 -4.78 117.00 114.67 1mr6 n LEU 54 Ca 0.26 0.00 0.14 0.00 -0.00 0.00 0.00 56.01 56.41 1mr6 n LEU 54 Cb 1.10 0.00 0.69 0.00 -0.00 0.00 0.00 43.42 45.21 1mr6 n LEU 54 CO 0.28 0.00 1.12 1.23 -0.00 0.00 0.00 177.39 180.02 1mr6 h GLY 55 N 0.00 0.00 -4.13 -3.96 0.00 -1.99 -3.38 103.07 89.61 1mr6 h GLY 55 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 1mr6 h GLY 55 CO 0.00 0.00 -0.35 -2.27 0.00 0.00 0.00 176.54 173.92 1mr6 s LEU 56 N -8.77 4.26 -0.74 3.11 2.96 -1.26 -5.00 118.68 113.24 1mr6 s LEU 56 Ca -0.05 0.46 -0.26 0.00 -0.22 0.00 0.00 54.13 54.06 1mr6 s LEU 56 Cb 0.18 -3.20 0.01 0.00 0.50 0.00 0.00 46.19 43.67 1mr6 s LEU 56 CO 0.68 0.03 1.58 -0.89 -1.32 0.00 0.00 176.35 176.43 1mr6 s THR 57 N -1.73 3.58 0.32 3.68 2.01 -1.19 -4.81 115.64 117.50 1mr6 s THR 57 Ca 0.39 0.12 -0.24 0.00 0.31 0.00 0.00 61.69 62.27 1mr6 s THR 57 Cb -0.12 -4.48 -0.10 0.00 0.01 0.00 0.00 72.50 67.82 1mr6 s THR 57 CO 0.27 -1.42 0.91 -0.69 -0.69 0.00 0.00 174.62 173.00 1mr6 s VAL 58 N 7.35 4.29 -0.23 3.82 1.01 -1.25 -2.60 120.40 132.79 1mr6 s VAL 58 Ca 0.52 1.70 -0.04 0.00 0.00 0.00 0.00 61.98 64.16 1mr6 s VAL 58 Cb -0.09 -3.95 0.09 0.00 0.00 0.00 0.00 36.38 32.44 1mr6 s VAL 58 CO 0.13 0.11 0.17 0.12 0.00 0.00 0.00 175.10 175.62 1mr6 s PHE 59 N -1.66 -0.01 0.53 5.22 5.36 0.15 -4.90 117.98 122.68 1mr6 s PHE 59 Ca 0.50 -0.28 0.06 0.00 -0.96 0.00 0.00 56.93 56.25 1mr6 s PHE 59 Cb -0.17 -0.61 0.03 0.00 -0.34 0.00 0.00 43.02 41.92 1mr6 s PHE 59 CO 0.22 -0.68 0.42 0.00 -1.46 0.00 0.00 175.22 173.73 1mr6 n THR 62 N 4.43 5.30 -3.85 0.00 -2.24 -1.26 -2.40 114.28 114.26 1mr6 n THR 62 Ca -0.20 -5.19 -0.02 0.00 -2.27 0.00 0.00 64.05 56.38 1mr6 n THR 62 Cb 0.57 -2.00 0.01 0.00 -2.10 0.00 0.00 70.33 66.81 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 -2.05 0.00 1.27 4.28 -1.32 -1.26 -5.10 115.64 111.45 1mr6 s THR 63 Ca 0.41 -0.50 -0.19 0.00 -1.21 0.00 0.00 61.69 60.20 1mr6 s THR 63 Cb 0.13 -2.66 0.29 0.00 -1.51 0.00 0.00 72.50 68.75 1mr6 s THR 63 CO -0.03 0.00 0.65 -0.90 -2.21 0.00 0.00 174.62 172.14 1mr6 n ASP 64 N -1.00 -3.37 -0.54 8.08 5.68 -1.24 -4.39 116.55 119.77 1mr6 n ASP 64 Ca -0.03 -0.57 -0.07 0.00 -0.50 0.00 0.00 54.79 53.62 1mr6 n ASP 64 Cb 0.60 -0.96 -0.02 0.00 -1.14 0.00 0.00 41.12 39.60 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 -3.97 0.08 0.00 -1.12 6.94 0.16 -4.65 115.26 112.71 1mr6 n ASN 65 Ca 0.09 0.07 0.00 0.00 -0.02 0.00 0.00 54.58 54.71 1mr6 n ASN 65 Cb 0.52 -0.11 0.00 0.00 -2.36 0.00 0.00 39.78 37.82 1mr6 n ASN 65 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1mr6 n ASN 67 N -1.23 2.22 0.00 0.00 3.02 -1.26 -4.92 115.26 113.09 1mr6 n ASN 67 Ca 0.00 -0.58 0.14 0.00 -0.03 0.00 0.00 54.58 54.11 1mr6 n ASN 67 Cb 0.00 -1.58 0.84 0.00 -0.61 0.00 0.00 39.78 38.43 1mr6 n ASN 67 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05