#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 2.17 -0.31 0.03 -0.21 -1.26 0.14 119.66 120.22 1mr6 s GLN 2 Ca 0.00 -1.45 -0.02 0.00 0.02 0.00 0.00 55.36 53.91 1mr6 s GLN 2 Cb 0.00 -3.12 0.12 0.00 1.00 0.00 0.00 33.01 31.01 1mr6 s GLN 2 CO 0.00 -0.70 0.18 0.00 -2.12 0.00 0.00 175.29 172.65 1mr6 n LYS 4 N 4.83 0.16 -2.14 0.00 5.02 -1.25 -4.66 118.16 120.11 1mr6 n LYS 4 Ca 0.01 0.06 -0.24 0.00 -2.02 0.00 0.00 58.31 56.11 1mr6 n LYS 4 Cb 0.41 -1.59 0.02 0.00 -0.02 0.00 0.00 35.03 33.84 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 4.48 2.45 -0.44 -0.18 -2.24 -1.26 -4.60 114.28 112.50 1mr6 n THR 5 Ca 0.34 -4.33 -0.29 0.00 -2.27 0.00 0.00 64.05 57.50 1mr6 n THR 5 Cb -0.03 -1.09 0.26 0.00 -2.10 0.00 0.00 70.33 67.37 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 -4.79 4.08 0.00 0.00 3.41 -1.26 -4.42 113.62 110.64 1mr6 n SER 7 Ca 0.04 -2.33 0.00 0.00 -0.26 0.00 0.00 58.87 56.32 1mr6 n SER 7 Cb 0.56 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 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 0.89 0.00 -2.50 7.33 3.72 -1.26 -5.05 117.46 120.59 1mr6 n PHE 8 Ca 0.22 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.49 1mr6 n PHE 8 Cb 0.73 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.30 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 0.00 1.99 -3.15 1.38 0.18 -1.26 -4.99 117.16 111.31 1mr6 n TYR 9 Ca 0.00 -2.38 0.06 0.00 1.88 0.00 0.00 57.90 57.46 1mr6 n TYR 9 Cb 0.00 -0.27 -0.01 0.00 -0.38 0.00 0.00 39.34 38.68 1mr6 n TYR 9 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 1mr6 s THR 10 N -4.17 -0.20 -0.37 -3.48 -1.32 -1.26 -5.04 115.64 99.80 1mr6 s THR 10 Ca 0.37 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.86 1mr6 s THR 10 Cb 0.38 -0.66 0.10 0.00 -1.51 0.00 0.00 72.50 70.81 1mr6 s THR 10 CO -0.02 0.00 0.12 0.00 -2.21 0.00 0.00 174.62 172.51 1mr6 h PRO 12 N 7.83 0.00 -6.67 0.00 0.13 -1.99 -3.44 132.00 127.86 1mr6 h PRO 12 Ca -0.09 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.57 1mr6 h PRO 12 Cb 1.03 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.20 1mr6 h PRO 12 CO 0.60 0.45 -0.10 0.54 -0.23 0.00 0.00 178.00 179.26 1mr6 s ASN 13 N -6.44 5.12 0.34 1.44 2.20 -1.26 -5.12 114.94 111.21 1mr6 s ASN 13 Ca 0.02 -0.68 0.07 0.00 -0.94 0.00 0.00 52.86 51.32 1mr6 s ASN 13 Cb 0.09 0.04 -0.01 0.00 -2.00 0.00 0.00 41.25 39.38 1mr6 s ASN 13 CO 0.71 -1.29 0.43 -0.44 -2.94 0.00 0.00 177.10 173.58 1mr6 s SER 14 N -4.61 5.81 -0.35 3.54 0.01 -1.26 -4.97 113.70 111.87 1mr6 s SER 14 Ca 0.61 -0.26 0.01 0.00 1.31 0.00 0.00 55.95 57.62 1mr6 s SER 14 Cb -0.07 -1.15 0.15 0.00 0.21 0.00 0.00 66.02 65.16 1mr6 s SER 14 CO 0.39 -0.43 0.30 -0.70 0.41 0.00 0.00 173.24 173.20 1mr6 s GLU 15 N -4.14 0.56 -0.42 12.44 2.12 -1.26 -4.98 118.70 123.02 1mr6 s GLU 15 Ca 0.44 -0.98 -0.27 0.00 0.36 0.00 0.00 54.97 54.53 1mr6 s GLU 15 Cb -0.09 -0.96 -0.07 0.00 0.26 0.00 0.00 34.13 33.28 1mr6 s GLU 15 CO 0.30 -1.18 2.36 2.41 -0.54 0.00 0.00 175.26 178.61 1mr6 n THR 16 N 4.28 0.05 -0.84 -1.70 -1.04 -1.26 -2.19 114.28 111.57 1mr6 n THR 16 Ca 0.10 -0.68 -0.34 0.00 -2.04 0.00 0.00 64.05 61.08 1mr6 n THR 16 Cb 0.42 -2.69 0.10 0.00 -1.82 0.00 0.00 70.33 66.34 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 -3.16 3.16 0.67 0.00 0.04 -1.26 -4.29 135.00 130.16 1mr6 s PRO 18 Ca 0.52 0.71 0.00 0.00 0.04 0.00 0.00 61.00 62.27 1mr6 s PRO 18 Cb -0.19 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1mr6 s PRO 18 CO 0.71 -0.87 0.00 -3.47 0.04 0.00 0.00 177.00 173.41 1mr6 n ASP 19 N -2.94 -1.22 -3.71 6.66 2.03 -1.26 -3.13 116.55 112.97 1mr6 n ASP 19 Ca 0.07 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.96 1mr6 n ASP 19 Cb 0.55 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.95 1mr6 n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1mr6 n GLY 20 N 0.00 4.53 0.00 0.27 0.00 -1.26 -3.87 105.19 104.86 1mr6 n GLY 20 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.28 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 5.07 0.13 0.00 1.61 4.76 -1.18 -4.74 118.16 123.80 1mr6 n LYS 21 Ca 0.52 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.96 1mr6 n LYS 21 Cb 0.36 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.55 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 -2.05 0.00 -4.22 4.39 3.02 -1.26 -3.23 115.26 111.91 1mr6 n ASN 22 Ca 0.00 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.37 1mr6 n ASN 22 Cb 0.00 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.07 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 -1.00 0.53 0.17 2.41 1.01 0.43 -4.71 121.20 120.05 1mr6 s ILE 23 Ca 0.00 -2.00 0.04 0.00 0.00 0.00 0.00 60.65 58.69 1mr6 s ILE 23 Cb 0.00 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 1mr6 s ILE 23 CO 0.00 0.00 0.20 0.00 0.00 0.00 0.00 174.94 175.14 1mr6 s VAL 25 N -1.79 -0.35 -0.44 0.00 -7.23 -0.81 -2.55 120.40 107.23 1mr6 s VAL 25 Ca 0.32 -0.15 -0.08 0.00 -1.81 0.00 0.00 61.98 60.27 1mr6 s VAL 25 Cb -0.10 -0.72 0.11 0.00 0.56 0.00 0.00 36.38 36.23 1mr6 s VAL 25 CO 0.25 -0.22 0.29 -0.75 -0.31 0.00 0.00 175.10 174.36 1mr6 s LYS 26 N 2.35 2.41 0.12 4.82 2.20 -1.14 -2.80 119.74 127.70 1mr6 s LYS 26 Ca 0.08 -1.69 0.02 0.00 -0.36 0.00 0.00 55.97 54.02 1mr6 s LYS 26 Cb -0.16 -3.80 -0.04 0.00 -1.51 0.00 0.00 37.83 32.33 1mr6 s LYS 26 CO -0.14 -1.09 0.23 1.03 -0.36 0.00 0.00 175.35 175.02 1mr6 s ARG 27 N 1.33 3.35 -0.27 4.03 3.00 -1.09 -0.22 118.95 129.09 1mr6 s ARG 27 Ca 0.05 -0.58 -0.16 0.00 0.00 0.00 0.00 55.73 55.04 1mr6 s ARG 27 Cb -0.25 -2.95 0.08 0.00 0.00 0.00 0.00 34.95 31.84 1mr6 s ARG 27 CO -0.01 0.55 0.66 -1.12 0.00 0.00 0.00 175.30 175.38 1mr6 s SER 28 N -2.93 -0.88 0.02 0.23 0.01 -0.01 -1.56 113.70 108.58 1mr6 s SER 28 Ca 0.34 1.44 -0.03 0.00 1.31 0.00 0.00 55.95 59.00 1mr6 s SER 28 Cb -0.12 1.32 -0.01 0.00 0.21 0.00 0.00 66.02 67.42 1mr6 s SER 28 CO 0.27 -0.23 0.04 -1.66 0.41 0.00 0.00 173.24 172.07 1mr6 s TRP 29 N 1.47 0.21 0.26 2.43 -2.14 -1.07 -2.37 118.94 117.74 1mr6 s TRP 29 Ca -0.09 -0.47 -0.29 0.00 2.66 0.00 0.00 56.10 57.91 1mr6 s TRP 29 Cb -0.05 -0.16 -0.09 0.00 -3.10 0.00 0.00 33.47 30.06 1mr6 s TRP 29 CO -0.17 -0.28 0.95 0.95 -2.66 0.00 0.00 176.95 175.74 1mr6 s THR 30 N -1.95 4.07 -0.30 0.66 -4.23 -1.26 -1.11 115.64 111.52 1mr6 s THR 30 Ca -0.11 2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 62.20 1mr6 s THR 30 Cb -0.06 -4.24 0.21 0.00 1.34 0.00 0.00 72.50 69.75 1mr6 s THR 30 CO -0.02 0.41 1.40 0.00 -0.54 0.00 0.00 174.62 175.87 1mr6 s ALA 31 N -1.28 -2.49 -0.14 3.99 0.00 0.43 -4.91 121.76 117.36 1mr6 s ALA 31 Ca 0.43 1.80 0.00 0.00 0.00 0.00 0.00 51.96 54.20 1mr6 s ALA 31 Cb -0.25 -1.93 0.02 0.00 0.00 0.00 0.00 23.12 20.97 1mr6 s ALA 31 CO 0.31 -0.20 -0.13 0.54 0.00 0.00 0.00 175.76 176.28 1mr6 s VAL 32 N 0.51 1.43 0.00 0.00 0.11 -1.26 -4.13 120.40 117.05 1mr6 s VAL 32 Ca -0.00 -0.55 0.00 0.00 -2.93 0.00 0.00 61.98 58.50 1mr6 s VAL 32 Cb -0.04 -1.36 0.00 0.00 -1.53 0.00 0.00 36.38 33.46 1mr6 s VAL 32 CO -0.13 0.43 0.00 0.54 -3.33 0.00 0.00 175.10 172.62 1mr6 n ARG 33 N 4.77 0.00 0.00 1.54 1.74 -1.26 -5.08 116.66 118.37 1mr6 n ARG 33 Ca -0.16 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.92 1mr6 n ARG 33 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 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 4.90 0.00 2.40 -0.13 0.00 -1.26 -4.94 105.19 106.16 1mr6 n GLY 34 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.68 2.82 -3.61 1.61 8.00 -1.26 -5.05 116.55 117.39 1mr6 n ASP 35 Ca 0.00 -3.24 -0.03 0.00 0.71 0.00 0.00 54.79 52.23 1mr6 n ASP 35 Cb 0.06 -0.67 -0.02 0.00 -0.02 0.00 0.00 41.12 40.48 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 -2.08 -0.29 0.00 0.44 0.00 -1.26 -5.17 107.32 98.96 1mr6 s GLY 36 Ca 0.38 1.56 0.00 0.00 0.00 0.00 0.00 44.72 46.65 1mr6 s GLY 36 CO -0.05 0.50 0.00 -1.55 0.00 0.00 0.00 173.10 172.01 1mr6 n PRO 37 N -0.13 1.14 -0.01 2.90 -0.04 -1.26 -4.67 135.00 132.93 1mr6 n PRO 37 Ca 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.46 1mr6 n PRO 37 Cb 0.58 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.04 1mr6 n PRO 37 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1mr6 h LYS 38 N 0.00 0.00 -5.98 0.54 1.57 -1.93 -3.41 116.57 107.36 1mr6 h LYS 38 Ca 0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 1mr6 h LYS 38 Cb 0.00 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.20 1mr6 h LYS 38 CO 0.00 0.00 0.98 0.50 -0.57 0.00 0.00 179.45 180.36 1mr6 s ARG 39 N -1.20 3.27 -0.33 3.15 3.52 -1.25 -0.43 118.95 125.68 1mr6 s ARG 39 Ca -0.02 -0.65 -0.24 0.00 -0.13 0.00 0.00 55.73 54.69 1mr6 s ARG 39 Cb 0.00 -4.45 0.00 0.00 -1.56 0.00 0.00 34.95 28.95 1mr6 s ARG 39 CO 0.04 -2.05 0.80 -1.21 -0.81 0.00 0.00 175.30 172.07 1mr6 s GLU 40 N 4.95 3.90 0.22 5.12 0.41 -0.27 -4.74 118.70 128.30 1mr6 s GLU 40 Ca 0.33 0.52 0.03 0.00 -0.41 0.00 0.00 54.97 55.44 1mr6 s GLU 40 Cb -0.09 -3.75 0.03 0.00 -1.78 0.00 0.00 34.13 28.54 1mr6 s GLU 40 CO 0.08 -0.74 0.24 0.44 -0.49 0.00 0.00 175.26 174.78 1mr6 n ILE 41 N 5.64 0.00 -3.66 -1.63 -5.35 -1.26 -2.60 119.36 110.50 1mr6 n ILE 41 Ca 0.04 -0.78 -0.06 0.00 -0.27 0.00 0.00 62.75 61.67 1mr6 n ILE 41 Cb 0.48 -0.59 -0.02 0.00 -1.74 0.00 0.00 39.64 37.77 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 -2.94 1.20 0.01 6.28 6.06 -0.60 -4.92 118.95 124.03 1mr6 s ARG 42 Ca 0.18 -0.59 0.03 0.00 -2.50 0.00 0.00 55.73 52.85 1mr6 s ARG 42 Cb -0.01 0.46 -0.01 0.00 0.06 0.00 0.00 34.95 35.44 1mr6 s ARG 42 CO 0.12 -0.54 -0.09 1.03 -2.50 0.00 0.00 175.30 173.32 1mr6 s ARG 43 N -3.40 0.64 0.01 5.12 3.00 -1.26 -2.68 118.95 120.38 1mr6 s ARG 43 Ca 0.09 -0.42 -0.02 0.00 0.00 0.00 0.00 55.73 55.37 1mr6 s ARG 43 Cb -0.02 -0.59 0.01 0.00 0.00 0.00 0.00 34.95 34.35 1mr6 s ARG 43 CO -0.02 0.15 0.11 -1.91 0.00 0.00 0.00 175.30 173.64 1mr6 n GLU 44 N 2.51 0.05 -4.34 3.54 2.13 -1.12 -4.96 120.64 118.46 1mr6 n GLU 44 Ca -0.15 -0.13 -0.18 0.00 0.66 0.00 0.00 57.16 57.35 1mr6 n GLU 44 Cb 0.57 0.19 -0.14 0.00 0.27 0.00 0.00 31.44 32.32 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 2.78 0.00 0.29 0.00 0.00 -1.11 -4.90 120.51 117.56 1mr6 n ALA 46 Ca -0.14 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.45 1mr6 n ALA 46 Cb 0.57 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.53 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 1.00 -1.65 0.00 0.00 -1.94 0.12 119.26 118.80 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 -2.99 0.00 -3.26 0.00 -2.24 -1.26 -4.69 114.28 99.84 1mr6 n THR 48 Ca 0.02 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.83 1mr6 n THR 48 Cb 0.37 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.58 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 7.90 0.07 0.03 0.00 0.13 -1.97 -3.38 132.00 134.77 1mr6 h PRO 50 Ca -0.18 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1mr6 h PRO 50 Cb 1.15 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1mr6 h PRO 50 CO 0.09 0.63 -0.01 -1.00 -0.23 0.00 0.00 178.00 177.48 1mr6 h PRO 51 N 0.05 -0.03 0.00 1.56 0.13 -2.02 -3.49 132.00 128.20 1mr6 h PRO 51 Ca -0.01 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.02 1mr6 h PRO 51 Cb 1.05 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 1mr6 h PRO 51 CO 0.08 -0.02 -0.09 0.43 -0.23 0.00 0.00 178.00 178.17 1mr6 n SER 52 N -2.40 1.36 -0.02 1.44 7.64 -1.26 -5.09 113.62 115.29 1mr6 n SER 52 Ca -0.00 -1.41 -0.05 0.00 1.01 0.00 0.00 58.87 58.42 1mr6 n SER 52 Cb 0.01 0.16 -0.02 0.00 -1.01 0.00 0.00 64.21 63.35 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 -0.19 0.11 0.00 1.43 4.81 -1.26 -4.62 118.16 118.44 1mr6 n LYS 53 Ca -0.02 0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 1mr6 n LYS 53 Cb 0.12 -0.69 0.00 0.00 0.02 0.00 0.00 35.03 34.48 1mr6 n LYS 53 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1mr6 n LEU 54 N -3.33 0.00 0.13 3.14 7.94 -1.26 -4.52 117.00 119.11 1mr6 n LEU 54 Ca -0.09 0.00 0.18 0.00 -1.11 0.00 0.00 56.01 54.99 1mr6 n LEU 54 Cb 0.48 0.00 0.76 0.00 0.53 0.00 0.00 43.42 45.19 1mr6 n LEU 54 CO 0.01 0.00 1.16 1.23 -1.11 0.00 0.00 177.39 178.68 1mr6 h GLY 55 N 0.00 0.00 0.00 -3.96 0.00 -1.98 -3.39 103.07 93.73 1mr6 h GLY 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1mr6 h GLY 55 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 176.54 176.44 1mr6 n LEU 56 N -4.04 0.00 -3.99 3.11 0.00 -1.26 -5.03 117.00 105.79 1mr6 n LEU 56 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 56.01 55.74 1mr6 n LEU 56 Cb 0.42 0.00 -0.12 0.00 0.00 0.00 0.00 43.42 43.72 1mr6 n LEU 56 CO 0.31 0.00 -0.07 -0.89 0.00 0.00 0.00 177.39 176.74 1mr6 s THR 57 N 3.39 3.02 -0.08 1.96 2.01 -1.00 -4.98 115.64 119.97 1mr6 s THR 57 Ca 0.00 -3.40 -0.01 0.00 0.31 0.00 0.00 61.69 58.59 1mr6 s THR 57 Cb 0.00 -3.03 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 1mr6 s THR 57 CO 0.00 -0.86 -0.04 -0.69 -0.69 0.00 0.00 174.62 172.33 1mr6 s VAL 58 N -0.46 3.93 -0.60 3.82 1.01 -1.24 -0.83 120.40 126.03 1mr6 s VAL 58 Ca 0.19 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.84 1mr6 s VAL 58 Cb -0.21 -2.64 0.24 0.00 0.00 0.00 0.00 36.38 33.78 1mr6 s VAL 58 CO -0.04 0.59 0.68 0.33 0.00 0.00 0.00 175.10 176.66 1mr6 n PHE 59 N 2.35 2.91 -2.80 5.22 7.35 0.70 -4.88 117.46 128.30 1mr6 n PHE 59 Ca -0.18 -4.07 -0.42 0.00 -0.76 0.00 0.00 57.45 52.03 1mr6 n PHE 59 Cb 0.53 -0.52 -0.03 0.00 0.35 0.00 0.00 39.48 39.81 1mr6 n PHE 59 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1mr6 n THR 62 N 2.41 4.44 -3.75 0.00 -2.24 -1.26 -1.16 114.28 112.72 1mr6 n THR 62 Ca -0.16 -5.74 -0.10 0.00 -2.27 0.00 0.00 64.05 55.78 1mr6 n THR 62 Cb 0.56 -1.64 -0.06 0.00 -2.10 0.00 0.00 70.33 67.09 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 -3.94 0.11 0.21 4.28 2.01 -1.26 -5.08 115.64 111.97 1mr6 s THR 63 Ca 0.42 -0.87 -0.32 0.00 0.31 0.00 0.00 61.69 61.23 1mr6 s THR 63 Cb 0.20 -1.22 -0.14 0.00 0.01 0.00 0.00 72.50 71.35 1mr6 s THR 63 CO -0.08 -0.48 1.43 -0.90 -0.69 0.00 0.00 174.62 173.90 1mr6 n ASP 64 N -0.06 2.71 -3.69 3.53 5.75 -1.25 -2.60 116.55 120.94 1mr6 n ASP 64 Ca -0.16 1.13 -0.24 0.00 -0.01 0.00 0.00 54.79 55.50 1mr6 n ASP 64 Cb 0.63 -1.41 0.01 0.00 -1.03 0.00 0.00 41.12 39.32 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 2.46 -2.86 -3.27 -1.12 0.23 0.18 -4.84 115.26 106.05 1mr6 n ASN 65 Ca 0.13 -0.76 -0.32 0.00 -0.53 0.00 0.00 54.58 53.10 1mr6 n ASN 65 Cb 0.30 -1.03 -0.02 0.00 -2.08 0.00 0.00 39.78 36.95 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 0.03 -1.75 -0.19 0.00 4.13 -1.26 -4.48 115.26 111.74 1mr6 n ASN 67 Ca 0.35 -2.29 0.15 0.00 1.68 0.00 0.00 54.58 54.47 1mr6 n ASN 67 Cb 0.35 1.01 0.78 0.00 -1.54 0.00 0.00 39.78 40.38 1mr6 n ASN 67 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54