#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 0.46 -0.19 3.17 -0.21 -1.26 -2.96 119.66 118.68 1mr6 s GLN 2 Ca 0.00 1.14 -0.05 0.00 0.02 0.00 0.00 55.36 56.48 1mr6 s GLN 2 Cb 0.00 0.49 0.09 0.00 1.00 0.00 0.00 33.01 34.60 1mr6 s GLN 2 CO 0.00 -0.33 0.32 0.00 -2.12 0.00 0.00 175.29 173.16 1mr6 n LYS 4 N 5.36 -0.45 -2.70 0.00 -0.00 -1.00 -4.55 118.16 114.82 1mr6 n LYS 4 Ca -0.06 -0.10 -0.06 0.00 -0.00 0.00 0.00 58.31 58.09 1mr6 n LYS 4 Cb 0.50 -1.67 0.12 0.00 -0.00 0.00 0.00 35.03 33.98 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 -3.56 0.04 0.00 0.58 -2.24 -1.26 -4.11 114.28 103.73 1mr6 n THR 5 Ca 0.04 -1.50 0.00 0.00 -2.27 0.00 0.00 64.05 60.32 1mr6 n THR 5 Cb 0.56 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 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 0.00 -4.47 0.00 7.64 -1.26 -4.18 113.62 111.35 1mr6 n SER 7 Ca 0.00 -1.48 -0.24 0.00 1.01 0.00 0.00 58.87 58.16 1mr6 n SER 7 Cb 0.00 -0.10 -0.10 0.00 -1.01 0.00 0.00 64.21 63.00 1mr6 n SER 7 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1mr6 s PHE 8 N 0.00 2.29 -0.16 1.43 0.08 -1.26 -4.91 117.98 115.44 1mr6 s PHE 8 Ca 0.00 -0.33 0.22 0.00 0.12 0.00 0.00 56.93 56.94 1mr6 s PHE 8 Cb 0.00 -1.00 1.20 0.00 -0.57 0.00 0.00 43.02 42.65 1mr6 s PHE 8 CO 0.00 0.70 1.67 0.98 -0.10 0.00 0.00 175.22 178.47 1mr6 n TYR 9 N -0.57 0.75 -3.56 0.36 9.36 -1.26 -4.32 117.16 117.91 1mr6 n TYR 9 Ca -0.05 0.39 -0.08 0.00 3.32 0.00 0.00 57.90 61.48 1mr6 n TYR 9 Cb 0.60 -1.12 -0.08 0.00 -0.63 0.00 0.00 39.34 38.11 1mr6 n TYR 9 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 1mr6 s THR 10 N -3.56 -0.68 -0.27 2.97 -1.32 -1.25 -4.76 115.64 106.77 1mr6 s THR 10 Ca -0.02 0.10 -0.03 0.00 -1.21 0.00 0.00 61.69 60.53 1mr6 s THR 10 Cb 0.06 -0.74 0.09 0.00 -1.51 0.00 0.00 72.50 70.41 1mr6 s THR 10 CO 0.20 0.02 0.10 0.00 -2.21 0.00 0.00 174.62 172.73 1mr6 n PRO 12 N 5.06 0.15 0.02 0.00 -0.04 -1.26 -3.99 135.00 134.93 1mr6 n PRO 12 Ca -0.05 0.17 -0.01 0.00 -0.04 0.00 0.00 63.50 63.57 1mr6 n PRO 12 Cb 0.44 -1.69 -0.00 0.00 -0.04 0.00 0.00 33.50 32.20 1mr6 n PRO 12 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1mr6 h ASN 13 N 0.00 -0.04 -4.11 3.54 -1.24 -2.05 -3.43 115.58 108.25 1mr6 h ASN 13 Ca 0.00 0.00 -0.48 0.00 0.71 0.00 0.00 56.30 56.53 1mr6 h ASN 13 Cb 0.58 0.01 0.14 0.00 0.73 0.00 0.00 38.32 39.78 1mr6 h ASN 13 CO 0.00 -0.03 0.27 -0.44 -1.29 0.00 0.00 177.43 175.94 1mr6 s SER 14 N -2.08 3.62 0.00 1.15 0.01 -1.26 -4.98 113.70 110.16 1mr6 s SER 14 Ca -0.01 1.37 0.00 0.00 1.31 0.00 0.00 55.95 58.63 1mr6 s SER 14 Cb 0.00 -2.06 0.00 0.00 0.21 0.00 0.00 66.02 64.17 1mr6 s SER 14 CO 0.02 -2.53 0.00 -1.84 0.41 0.00 0.00 173.24 169.30 1mr6 n GLU 15 N -3.80 0.00 -0.79 12.44 0.28 -1.26 -4.68 120.64 122.83 1mr6 n GLU 15 Ca 0.07 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.75 1mr6 n GLU 15 Cb 0.56 0.00 0.15 0.00 1.43 0.00 0.00 31.44 33.58 1mr6 n GLU 15 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1mr6 n THR 16 N 0.00 0.47 -3.11 3.84 -1.04 -1.26 -0.51 114.28 112.67 1mr6 n THR 16 Ca 0.00 -0.07 -0.20 0.00 -2.04 0.00 0.00 64.05 61.74 1mr6 n THR 16 Cb 0.00 -0.99 0.01 0.00 -1.82 0.00 0.00 70.33 67.52 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 -4.41 -0.43 -0.11 0.00 0.04 -1.26 -4.86 135.00 123.97 1mr6 s PRO 18 Ca 0.50 0.24 -0.03 0.00 0.04 0.00 0.00 61.00 61.75 1mr6 s PRO 18 Cb -0.10 -1.66 -0.05 0.00 0.04 0.00 0.00 34.50 32.73 1mr6 s PRO 18 CO 0.34 -3.25 2.64 -0.25 0.04 0.00 0.00 177.00 176.52 1mr6 n ASP 19 N -4.49 5.64 0.00 6.66 8.00 -1.26 -3.54 116.55 127.56 1mr6 n ASP 19 Ca 0.09 -2.64 0.00 0.00 0.71 0.00 0.00 54.79 52.94 1mr6 n ASP 19 Cb 0.58 -1.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.46 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 1.56 0.06 0.55 0.44 0.00 -1.26 -5.12 105.19 101.41 1mr6 n GLY 20 Ca 0.25 -0.03 -0.04 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.78 -0.28 0.00 1.61 4.76 -1.23 -5.04 118.16 117.20 1mr6 n LYS 21 Ca 0.00 -0.29 0.00 0.00 -2.87 0.00 0.00 58.31 55.15 1mr6 n LYS 21 Cb 0.00 -0.20 0.00 0.00 -1.84 0.00 0.00 35.03 32.99 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 -3.14 0.00 -3.66 4.39 3.02 -1.24 -4.87 115.26 109.77 1mr6 n ASN 22 Ca 0.02 -1.00 -0.11 0.00 -0.03 0.00 0.00 54.58 53.46 1mr6 n ASN 22 Cb 0.08 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.21 1mr6 n ASN 22 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1mr6 s ILE 23 N 0.00 0.00 -0.58 2.41 2.07 0.14 -4.75 121.20 120.49 1mr6 s ILE 23 Ca 0.00 -1.49 -0.05 0.00 -1.41 0.00 0.00 60.65 57.69 1mr6 s ILE 23 Cb 0.00 -2.44 0.15 0.00 0.13 0.00 0.00 42.46 40.30 1mr6 s ILE 23 CO 0.00 0.00 0.41 0.00 -1.91 0.00 0.00 174.94 173.44 1mr6 s VAL 25 N 0.49 5.17 -0.16 0.00 -7.23 -1.03 -1.52 120.40 116.12 1mr6 s VAL 25 Ca 0.13 0.81 -0.01 0.00 -1.81 0.00 0.00 61.98 61.11 1mr6 s VAL 25 Cb -0.21 -3.77 0.04 0.00 0.56 0.00 0.00 36.38 33.00 1mr6 s VAL 25 CO -0.04 0.24 -0.05 -0.75 -0.31 0.00 0.00 175.10 174.19 1mr6 s LYS 26 N 1.34 1.40 0.37 4.82 2.20 -1.05 -2.40 119.74 126.42 1mr6 s LYS 26 Ca 0.21 -0.46 0.07 0.00 -0.36 0.00 0.00 55.97 55.44 1mr6 s LYS 26 Cb -0.15 -1.92 -0.02 0.00 -1.51 0.00 0.00 37.83 34.23 1mr6 s LYS 26 CO 0.09 -0.41 0.38 -0.98 -0.36 0.00 0.00 175.35 174.07 1mr6 s ARG 27 N 1.66 2.74 -0.30 4.03 3.03 -0.64 -0.45 118.95 129.02 1mr6 s ARG 27 Ca 0.01 -1.32 -0.10 0.00 2.03 0.00 0.00 55.73 56.35 1mr6 s ARG 27 Cb -0.15 -2.54 0.13 0.00 -1.03 0.00 0.00 34.95 31.37 1mr6 s ARG 27 CO -0.08 -0.05 0.66 0.45 -1.13 0.00 0.00 175.30 175.16 1mr6 s SER 28 N -4.11 -1.13 0.14 -2.89 0.15 0.86 -2.49 113.70 104.23 1mr6 s SER 28 Ca 0.46 1.55 -0.01 0.00 0.70 0.00 0.00 55.95 58.65 1mr6 s SER 28 Cb -0.06 2.28 -0.04 0.00 -1.71 0.00 0.00 66.02 66.49 1mr6 s SER 28 CO 0.28 -0.22 0.05 -1.66 1.20 0.00 0.00 173.24 172.90 1mr6 s TRP 29 N 2.88 0.93 -0.22 3.44 -2.14 -1.02 -2.32 118.94 120.49 1mr6 s TRP 29 Ca -0.06 -1.21 0.14 0.00 2.66 0.00 0.00 56.10 57.63 1mr6 s TRP 29 Cb -0.12 -0.52 0.49 0.00 -3.10 0.00 0.00 33.47 30.23 1mr6 s TRP 29 CO -0.19 -0.48 1.41 -2.37 -2.66 0.00 0.00 176.95 172.66 1mr6 n THR 30 N -0.12 2.36 -1.55 0.66 5.66 -1.26 0.13 114.28 120.15 1mr6 n THR 30 Ca -0.05 -2.29 -0.38 0.00 -3.05 0.00 0.00 64.05 58.28 1mr6 n THR 30 Cb 0.64 -0.28 -0.04 0.00 -1.55 0.00 0.00 70.33 69.09 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 -0.87 0.85 -1.78 1.79 0.00 -1.26 -4.75 120.51 114.49 1mr6 n ALA 31 Ca 0.26 -0.78 -0.41 0.00 0.00 0.00 0.00 53.44 52.51 1mr6 n ALA 31 Cb 0.93 -3.07 -0.01 0.00 0.00 0.00 0.00 19.45 17.30 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 11.36 2.16 -0.09 0.00 0.11 -1.26 -4.87 120.40 127.81 1mr6 s VAL 32 Ca 1.03 0.15 -0.07 0.00 -2.93 0.00 0.00 61.98 60.15 1mr6 s VAL 32 Cb -0.32 -3.09 -0.02 0.00 -1.53 0.00 0.00 36.38 31.41 1mr6 s VAL 32 CO 0.30 0.03 -0.13 0.54 -3.33 0.00 0.00 175.10 172.51 1mr6 n ARG 33 N 1.19 0.30 0.00 1.54 5.12 -1.26 -5.01 116.66 118.53 1mr6 n ARG 33 Ca 0.04 0.37 0.00 0.00 -1.93 0.00 0.00 57.85 56.33 1mr6 n ARG 33 Cb 0.39 -1.30 0.00 0.00 -1.16 0.00 0.00 32.46 30.39 1mr6 n ARG 33 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1mr6 n GLY 34 N 1.63 0.23 2.37 -0.13 0.00 -1.26 -5.01 105.19 103.02 1mr6 n GLY 34 Ca -0.05 -0.12 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.17 -0.04 -2.75 1.61 2.03 -1.26 -5.02 116.55 109.95 1mr6 n ASP 35 Ca 0.00 -3.17 0.02 0.00 0.52 0.00 0.00 54.79 52.16 1mr6 n ASP 35 Cb 0.00 0.10 0.01 0.00 -0.72 0.00 0.00 41.12 40.51 1mr6 n ASP 35 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1mr6 s GLY 36 N -2.13 -1.56 -0.82 0.27 0.00 -1.26 -5.10 107.32 96.72 1mr6 s GLY 36 Ca 0.34 1.35 -0.25 0.00 0.00 0.00 0.00 44.72 46.15 1mr6 s GLY 36 CO -0.07 4.34 1.31 2.56 0.00 0.00 0.00 173.10 181.25 1mr6 s PRO 37 N 1.98 3.31 0.22 2.90 0.04 -1.26 -4.41 135.00 137.78 1mr6 s PRO 37 Ca 0.14 -0.55 -0.23 0.00 0.04 0.00 0.00 61.00 60.40 1mr6 s PRO 37 Cb 0.03 -4.54 0.05 0.00 0.04 0.00 0.00 34.50 30.08 1mr6 s PRO 37 CO -0.15 -2.14 0.86 0.21 0.04 0.00 0.00 177.00 175.81 1mr6 s LYS 38 N 5.38 1.49 -1.03 4.56 2.36 -1.26 -5.08 119.74 126.16 1mr6 s LYS 38 Ca 0.38 -0.84 -0.21 0.00 -2.55 0.00 0.00 55.97 52.75 1mr6 s LYS 38 Cb -0.06 0.50 0.08 0.00 -1.05 0.00 0.00 37.83 37.30 1mr6 s LYS 38 CO 0.07 -0.68 1.38 0.50 1.55 0.00 0.00 175.35 178.17 1mr6 s ARG 39 N -3.44 3.66 -0.36 4.03 3.52 -1.25 -4.37 118.95 120.74 1mr6 s ARG 39 Ca 0.12 -1.49 -0.28 0.00 -0.13 0.00 0.00 55.73 53.96 1mr6 s ARG 39 Cb -0.03 -5.23 -0.07 0.00 -1.56 0.00 0.00 34.95 28.06 1mr6 s ARG 39 CO 0.05 -2.06 2.32 -0.85 -0.81 0.00 0.00 175.30 173.95 1mr6 n GLU 40 N 7.95 1.47 -1.55 5.12 0.00 0.34 -4.50 120.64 129.48 1mr6 n GLU 40 Ca 0.32 0.27 -0.05 0.00 0.00 0.00 0.00 57.16 57.70 1mr6 n GLU 40 Cb 0.49 -3.27 0.01 0.00 0.00 0.00 0.00 31.44 28.68 1mr6 n GLU 40 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 1mr6 n ILE 41 N 7.85 0.00 -3.60 3.84 -5.35 -1.26 -2.42 119.36 118.42 1mr6 n ILE 41 Ca 0.34 -0.46 -0.05 0.00 -0.27 0.00 0.00 62.75 62.31 1mr6 n ILE 41 Cb 0.48 -0.81 -0.02 0.00 -1.74 0.00 0.00 39.64 37.54 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 -2.61 0.31 0.04 6.28 3.52 -1.04 -4.94 118.95 120.52 1mr6 s ARG 42 Ca 0.13 -0.09 -0.00 0.00 -0.13 0.00 0.00 55.73 55.64 1mr6 s ARG 42 Cb -0.01 0.14 -0.03 0.00 -1.56 0.00 0.00 34.95 33.49 1mr6 s ARG 42 CO 0.08 -0.13 -0.04 -0.98 -0.81 0.00 0.00 175.30 173.43 1mr6 s ARG 43 N -2.27 0.51 -0.19 5.12 3.03 -1.26 -1.62 118.95 122.28 1mr6 s ARG 43 Ca 0.09 -0.97 -0.31 0.00 2.03 0.00 0.00 55.73 56.57 1mr6 s ARG 43 Cb -0.01 0.10 0.14 0.00 -1.03 0.00 0.00 34.95 34.15 1mr6 s ARG 43 CO -0.05 -0.07 1.14 -1.21 -1.13 0.00 0.00 175.30 173.99 1mr6 s GLU 44 N -2.81 0.40 -0.00 3.89 2.02 -1.01 -4.42 118.70 116.76 1mr6 s GLU 44 Ca -0.02 -0.00 -0.28 0.00 0.02 0.00 0.00 54.97 54.68 1mr6 s GLU 44 Cb -0.00 0.19 -0.04 0.00 0.10 0.00 0.00 34.13 34.38 1mr6 s GLU 44 CO -0.05 -0.15 0.89 0.00 0.02 0.00 0.00 175.26 175.97 1mr6 s ALA 46 N 0.78 -0.74 0.00 0.00 0.00 -1.17 -4.82 121.76 115.80 1mr6 s ALA 46 Ca 0.47 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.65 1mr6 s ALA 46 Cb -0.20 0.66 0.00 0.00 0.00 0.00 0.00 23.12 23.58 1mr6 s ALA 46 CO 0.25 -0.99 0.00 0.00 0.00 0.00 0.00 175.76 175.02 1mr6 n ALA 47 N -0.55 0.00 -1.00 0.00 0.00 -1.26 -0.68 120.51 117.02 1mr6 n ALA 47 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1mr6 n ALA 47 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1mr6 n ALA 47 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1mr6 n THR 48 N 0.00 0.00 -3.47 0.00 -2.24 -1.26 -4.31 114.28 103.01 1mr6 n THR 48 Ca 0.00 0.61 -0.13 0.00 -2.27 0.00 0.00 64.05 62.26 1mr6 n THR 48 Cb 0.00 -1.23 -0.03 0.00 -2.10 0.00 0.00 70.33 66.96 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 2.35 0.02 0.00 0.00 0.13 -1.94 -3.40 132.00 129.17 1mr6 h PRO 50 Ca -0.30 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1mr6 h PRO 50 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1mr6 h PRO 50 CO 0.37 0.61 0.00 -0.35 -0.23 0.00 0.00 178.00 178.40 1mr6 n PRO 51 N -3.84 0.00 0.00 1.56 -0.04 -1.26 -5.07 135.00 126.36 1mr6 n PRO 51 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1mr6 n PRO 51 Cb 0.60 -0.49 0.00 0.00 -0.04 0.00 0.00 33.50 33.56 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 -0.41 0.00 0.00 3.54 7.64 -1.26 -5.12 113.62 118.01 1mr6 n SER 52 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1mr6 n SER 52 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.93 0.00 0.00 1.43 0.00 -1.26 -4.75 118.16 112.66 1mr6 n LYS 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1mr6 n LYS 53 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 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 -1.75 0.00 -0.19 3.14 7.94 -1.26 -3.82 117.00 121.06 1mr6 n LEU 54 Ca 0.00 -0.04 0.04 0.00 -1.11 0.00 0.00 56.01 54.89 1mr6 n LEU 54 Cb 0.00 0.00 0.31 0.00 0.53 0.00 0.00 43.42 44.26 1mr6 n LEU 54 CO 0.00 0.08 1.22 1.23 -1.11 0.00 0.00 177.39 178.81 1mr6 h GLY 55 N 0.00 0.99 0.00 -3.96 0.00 -1.99 -3.41 103.07 94.69 1mr6 h GLY 55 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1mr6 h GLY 55 CO 0.00 0.29 0.00 -0.10 0.00 0.00 0.00 176.54 176.73 1mr6 n LEU 56 N -4.46 0.00 -4.09 3.11 0.00 -1.26 -5.03 117.00 105.26 1mr6 n LEU 56 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 56.01 55.74 1mr6 n LEU 56 Cb 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 43.42 43.47 1mr6 n LEU 56 CO 0.35 0.00 0.20 -0.89 0.00 0.00 0.00 177.39 177.05 1mr6 s THR 57 N 3.11 4.04 0.33 1.96 2.01 -0.98 -4.95 115.64 121.15 1mr6 s THR 57 Ca 0.00 -3.49 0.02 0.00 0.31 0.00 0.00 61.69 58.53 1mr6 s THR 57 Cb 0.00 -3.56 -0.03 0.00 0.01 0.00 0.00 72.50 68.92 1mr6 s THR 57 CO 0.00 -1.00 0.51 -0.69 -0.69 0.00 0.00 174.62 172.75 1mr6 s VAL 58 N -0.80 5.07 -0.52 3.82 1.01 -1.25 -0.10 120.40 127.64 1mr6 s VAL 58 Ca 0.23 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 61.67 1mr6 s VAL 58 Cb -0.13 -3.84 0.19 0.00 0.00 0.00 0.00 36.38 32.61 1mr6 s VAL 58 CO -0.09 -0.49 0.73 0.33 0.00 0.00 0.00 175.10 175.59 1mr6 n PHE 59 N -1.71 -3.82 -2.03 5.22 7.35 0.40 -4.92 117.46 117.95 1mr6 n PHE 59 Ca -0.05 -1.35 -0.31 0.00 -0.76 0.00 0.00 57.45 54.97 1mr6 n PHE 59 Cb 0.56 1.49 0.00 0.00 0.35 0.00 0.00 39.48 41.88 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 4.04 2.52 -4.46 0.00 -2.24 -1.26 -1.24 114.28 111.64 1mr6 n THR 62 Ca -0.22 -1.35 -0.22 0.00 -2.27 0.00 0.00 64.05 59.99 1mr6 n THR 62 Cb 0.55 -0.70 -0.10 0.00 -2.10 0.00 0.00 70.33 67.98 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 -2.28 0.95 0.08 4.28 2.01 -1.26 -5.00 115.64 114.42 1mr6 s THR 63 Ca 0.38 -2.00 -0.01 0.00 0.31 0.00 0.00 61.69 60.37 1mr6 s THR 63 Cb 0.32 -2.64 0.02 0.00 0.01 0.00 0.00 72.50 70.21 1mr6 s THR 63 CO 0.07 0.00 0.04 -0.90 -0.69 0.00 0.00 174.62 173.14 1mr6 n ASP 64 N -0.84 -1.71 -4.03 3.53 5.68 -1.23 -4.32 116.55 113.62 1mr6 n ASP 64 Ca -0.03 -0.04 -0.32 0.00 -0.50 0.00 0.00 54.79 53.90 1mr6 n ASP 64 Cb 0.66 -0.06 -0.16 0.00 -1.14 0.00 0.00 41.12 40.43 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 -2.46 -0.23 0.07 -1.12 3.02 0.74 -4.70 115.26 110.59 1mr6 n ASN 65 Ca 0.01 -0.04 -0.14 0.00 -0.03 0.00 0.00 54.58 54.38 1mr6 n ASN 65 Cb 0.03 -0.72 -0.14 0.00 -0.61 0.00 0.00 39.78 38.35 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 -3.42 1.53 0.00 0.00 4.13 -1.26 -5.16 115.26 111.08 1mr6 n ASN 67 Ca -0.10 -3.00 0.06 0.00 1.68 0.00 0.00 54.58 53.22 1mr6 n ASN 67 Cb 1.01 -0.64 0.38 0.00 -1.54 0.00 0.00 39.78 38.99 1mr6 n ASN 67 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54