#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmb h GLN 2 N 0.00 0.00 -1.37 2.12 5.75 -1.89 -3.44 115.11 116.28 2jmb h GLN 2 Ca 0.00 0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.33 2jmb h GLN 2 Cb 0.00 0.00 -0.24 0.00 1.07 0.00 0.00 27.48 28.31 2jmb h GLN 2 CO 0.00 0.24 -0.53 -1.01 -2.65 0.00 0.00 178.83 174.88 2jmb s HIS 3 N -3.01 -1.20 1.01 3.99 3.76 -1.26 -5.00 115.29 113.57 2jmb s HIS 3 Ca -0.02 -0.07 -0.13 0.00 -0.15 0.00 0.00 55.06 54.69 2jmb s HIS 3 Cb 0.09 0.04 0.12 0.00 1.11 0.00 0.00 32.58 33.94 2jmb s HIS 3 CO 0.80 -1.09 0.65 -2.30 -0.85 0.00 0.00 174.74 171.95 2jmb n PRO 4 N 4.47 -0.91 0.00 8.40 -0.02 -1.26 -4.68 135.00 141.00 2jmb n PRO 4 Ca 0.10 -0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 2jmb n PRO 4 Cb 0.52 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 2jmb n PRO 4 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2jmb n TYR 5 N -4.15 -0.16 -1.91 6.00 4.02 -1.26 -4.96 117.16 114.75 2jmb n TYR 5 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.96 2jmb n TYR 5 Cb 0.55 0.19 0.00 0.00 -0.02 0.00 0.00 39.34 40.06 2jmb n TYR 5 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2jmb n VAL 6 N -1.88 -6.49 0.00 -0.72 0.31 -1.25 -5.06 118.33 103.24 2jmb n VAL 6 Ca 0.00 2.76 0.00 0.00 -0.01 0.00 0.00 64.34 67.09 2jmb n VAL 6 Cb 0.00 -3.67 0.00 0.00 -0.91 0.00 0.00 33.84 29.26 2jmb n VAL 6 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2jmb n GLY 7 N 0.65 3.79 3.38 2.92 0.00 -0.64 -4.88 105.19 110.41 2jmb n GLY 7 Ca 0.00 -0.54 -0.45 0.00 0.00 0.00 0.00 46.02 45.04 2jmb n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jmb s ILE 8 N -1.74 4.89 -0.52 -0.61 1.01 -1.26 0.14 121.20 123.11 2jmb s ILE 8 Ca 0.00 -1.27 -0.22 0.00 0.00 0.00 0.00 60.65 59.15 2jmb s ILE 8 Cb 0.00 -4.55 0.04 0.00 0.01 0.00 0.00 42.46 37.96 2jmb s ILE 8 CO 0.00 -1.20 0.81 0.26 0.00 0.00 0.00 174.94 174.81 2jmb s TRP 9 N 2.40 2.91 0.20 3.97 0.52 0.30 0.24 118.94 129.49 2jmb s TRP 9 Ca 0.17 -0.14 0.09 0.00 0.02 0.00 0.00 56.10 56.24 2jmb s TRP 9 Cb -0.18 -3.81 -0.04 0.00 -1.15 0.00 0.00 33.47 28.28 2jmb s TRP 9 CO 0.02 -1.17 -0.06 0.08 0.02 0.00 0.00 176.95 175.83 2jmb s VAL 10 N 3.40 3.31 1.29 4.03 1.01 0.80 -0.02 120.40 134.22 2jmb s VAL 10 Ca 0.25 -1.69 -0.21 0.00 0.00 0.00 0.00 61.98 60.33 2jmb s VAL 10 Cb -0.14 -2.68 0.32 0.00 0.00 0.00 0.00 36.38 33.88 2jmb s VAL 10 CO 0.18 -0.17 1.04 0.42 0.00 0.00 0.00 175.10 176.57 2jmb s THR 11 N -1.86 1.44 -0.41 3.92 -4.23 -1.11 0.64 115.64 114.02 2jmb s THR 11 Ca 0.27 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 61.02 2jmb s THR 11 Cb -0.08 -2.33 0.34 0.00 1.34 0.00 0.00 72.50 71.76 2jmb s THR 11 CO 0.17 0.00 1.65 0.00 -0.54 0.00 0.00 174.62 175.90 2jmb h ALA 12 N -2.93 1.00 0.00 3.99 0.00 -1.94 -3.29 119.26 116.09 2jmb h ALA 12 Ca -0.44 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.24 2jmb h ALA 12 Cb 1.31 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 2jmb h ALA 12 CO 0.31 0.00 -2.09 -0.25 0.00 0.00 0.00 179.25 177.21 2jmb n ASP 13 N -3.04 0.73 0.00 0.00 9.92 -1.26 -5.01 116.55 117.89 2jmb n ASP 13 Ca 0.04 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 2jmb n ASP 13 Cb 0.50 1.19 0.00 0.00 -0.64 0.00 0.00 41.12 42.17 2jmb n ASP 13 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jmb n GLY 14 N 1.79 1.05 0.11 0.44 0.00 -1.24 -4.98 105.19 102.37 2jmb n GLY 14 Ca -0.21 -0.37 -0.07 0.00 0.00 0.00 0.00 46.02 45.37 2jmb n GLY 14 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2jmb h ARG 15 N 0.00 0.11 -4.33 1.61 -0.00 -1.95 -3.46 114.38 106.37 2jmb h ARG 15 Ca 0.00 -0.12 -0.18 0.00 -0.00 0.00 0.00 59.98 59.67 2jmb h ARG 15 Cb 0.16 0.04 -0.17 0.00 -0.00 0.00 0.00 29.97 29.99 2jmb h ARG 15 CO 0.00 0.89 -0.70 0.96 -0.00 0.00 0.00 179.97 181.12 2jmb s ILE 16 N -3.19 0.36 -0.02 0.08 -5.25 -1.26 -3.40 121.20 108.51 2jmb s ILE 16 Ca -0.02 -1.50 0.01 0.00 -0.99 0.00 0.00 60.65 58.15 2jmb s ILE 16 Cb 0.11 -1.10 0.02 0.00 2.95 0.00 0.00 42.46 44.44 2jmb s ILE 16 CO 0.81 -0.74 -0.01 -0.60 -1.79 0.00 0.00 174.94 172.61 2jmb s ARG 17 N -2.91 0.34 -0.24 0.37 3.52 -0.98 -2.76 118.95 116.29 2jmb s ARG 17 Ca -0.00 0.01 0.02 0.00 -0.13 0.00 0.00 55.73 55.63 2jmb s ARG 17 Cb -0.00 -0.45 0.05 0.00 -1.56 0.00 0.00 34.95 32.98 2jmb s ARG 17 CO -0.05 -0.08 -0.13 -1.14 -0.81 0.00 0.00 175.30 173.09 2jmb s GLN 18 N 0.74 2.40 -0.16 5.12 0.74 0.97 0.11 119.66 129.57 2jmb s GLN 18 Ca -0.08 -1.19 -0.17 0.00 0.05 0.00 0.00 55.36 53.97 2jmb s GLN 18 Cb -0.11 -2.79 -0.04 0.00 1.10 0.00 0.00 33.01 31.18 2jmb s GLN 18 CO -0.01 -0.48 0.43 -2.00 -0.55 0.00 0.00 175.29 172.68 2jmb s GLU 19 N 1.17 4.25 -0.39 1.67 2.12 0.30 0.11 118.70 127.94 2jmb s GLU 19 Ca -0.05 0.32 -0.20 0.00 0.36 0.00 0.00 54.97 55.40 2jmb s GLU 19 Cb -0.18 -3.49 0.01 0.00 0.26 0.00 0.00 34.13 30.73 2jmb s GLU 19 CO -0.07 0.06 0.58 -0.51 -0.54 0.00 0.00 175.26 174.78 2jmb s LEU 20 N 0.98 4.41 0.74 2.70 1.43 0.37 0.93 118.68 130.25 2jmb s LEU 20 Ca 0.22 -0.14 -0.13 0.00 -1.03 0.00 0.00 54.13 53.05 2jmb s LEU 20 Cb -0.15 -2.67 0.04 0.00 0.03 0.00 0.00 46.19 43.45 2jmb s LEU 20 CO 0.08 -0.62 1.15 -0.76 0.23 0.00 0.00 176.35 176.43 2jmb s LEU 21 N 2.61 3.22 0.46 1.79 1.02 0.43 -1.62 118.68 126.58 2jmb s LEU 21 Ca 0.21 2.12 0.31 0.00 0.02 0.00 0.00 54.13 56.79 2jmb s LEU 21 Cb -0.15 -4.56 1.56 0.00 0.02 0.00 0.00 46.19 43.06 2jmb s LEU 21 CO 0.16 -2.13 1.95 -0.65 0.02 0.00 0.00 176.35 175.69 2jmb h PRO 22 N -0.56 0.00 -0.79 1.29 0.11 -1.96 -1.83 132.00 128.27 2jmb h PRO 22 Ca -0.46 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.50 2jmb h PRO 22 Cb 1.26 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.28 2jmb h PRO 22 CO 0.50 0.00 0.20 0.27 -0.21 0.00 0.00 178.00 178.76 2jmb n ASN 23 N -2.65 4.39 -2.57 -2.05 6.94 -1.26 -4.89 115.26 113.16 2jmb n ASN 23 Ca -0.01 -2.96 -0.10 0.00 -0.02 0.00 0.00 54.58 51.49 2jmb n ASN 23 Cb 0.13 -0.70 0.05 0.00 -2.36 0.00 0.00 39.78 36.90 2jmb n ASN 23 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2jmb n GLY 24 N 0.01 -0.19 3.30 4.83 0.00 -0.69 -4.90 105.19 107.55 2jmb n GLY 24 Ca 0.32 0.02 -0.18 0.00 0.00 0.00 0.00 46.02 46.18 2jmb n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jmb n ARG 25 N -2.86 0.52 -4.06 1.61 5.12 -1.18 -4.40 116.66 111.41 2jmb n ARG 25 Ca -0.14 -3.17 -0.13 0.00 -1.93 0.00 0.00 57.85 52.49 2jmb n ARG 25 Cb 0.60 2.75 -0.11 0.00 -1.16 0.00 0.00 32.46 34.53 2jmb n ARG 25 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 2jmb s TYR 26 N -3.19 0.64 -0.20 -1.55 -0.85 -1.23 0.16 117.35 111.13 2jmb s TYR 26 Ca 0.36 -0.50 -0.04 0.00 -0.52 0.00 0.00 57.07 56.38 2jmb s TYR 26 Cb 0.01 -0.39 0.10 0.00 0.38 0.00 0.00 41.96 42.06 2jmb s TYR 26 CO 0.26 -0.09 0.27 -0.51 -1.52 0.00 0.00 175.55 173.95 2jmb s ASP 27 N -1.55 0.92 -0.13 -0.18 1.11 0.27 -2.70 116.67 114.40 2jmb s ASP 27 Ca -0.10 0.04 -0.05 0.00 0.18 0.00 0.00 52.55 52.61 2jmb s ASP 27 Cb -0.10 0.62 -0.04 0.00 1.07 0.00 0.00 42.92 44.47 2jmb s ASP 27 CO 0.00 -0.30 0.05 -0.70 1.18 0.00 0.00 175.17 175.40 2jmb s GLU 28 N 2.40 3.49 -0.29 8.23 2.12 -0.86 0.11 118.70 133.90 2jmb s GLU 28 Ca 0.07 -0.33 0.03 0.00 0.36 0.00 0.00 54.97 55.10 2jmb s GLU 28 Cb -0.15 -3.04 0.08 0.00 0.26 0.00 0.00 34.13 31.28 2jmb s GLU 28 CO -0.12 0.53 -0.03 0.00 -0.54 0.00 0.00 175.26 175.10 2jmb s ALA 29 N -0.38 2.60 -0.36 6.30 0.00 0.30 -2.22 121.76 128.00 2jmb s ALA 29 Ca 0.09 -2.04 -0.12 0.00 0.00 0.00 0.00 51.96 49.88 2jmb s ALA 29 Cb -0.12 -1.73 0.01 0.00 0.00 0.00 0.00 23.12 21.27 2jmb s ALA 29 CO 0.02 -1.43 0.23 1.03 0.00 0.00 0.00 175.76 175.61 2jmb s ARG 30 N 1.07 3.13 2.53 0.00 0.52 -1.06 -2.32 118.95 122.83 2jmb s ARG 30 Ca 0.01 -0.88 0.00 0.00 -0.52 0.00 0.00 55.73 54.33 2jmb s ARG 30 Cb -0.19 -3.78 0.00 0.00 0.52 0.00 0.00 34.95 31.50 2jmb s ARG 30 CO -0.07 -0.59 0.00 0.41 0.02 0.00 0.00 175.30 175.07 2jmb n GLY 31 N 5.06 0.96 0.34 -3.53 0.00 -1.22 -1.67 105.19 105.13 2jmb n GLY 31 Ca -0.12 -0.61 0.20 0.00 0.00 0.00 0.00 46.02 45.49 2jmb n GLY 31 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2jmb h ASN 32 N 5.46 0.00 -2.64 1.61 2.35 -1.95 -3.28 115.58 117.13 2jmb h ASN 32 Ca 0.00 0.00 -0.76 0.00 -0.55 0.00 0.00 56.30 54.99 2jmb h ASN 32 Cb 0.00 0.00 -0.21 0.00 0.05 0.00 0.00 38.32 38.16 2jmb h ASN 32 CO 0.00 0.00 1.06 -1.14 -1.65 0.00 0.00 177.43 175.70 2jmb n ARG 33 N -3.17 3.48 -1.94 0.81 3.00 -0.67 -5.02 116.66 113.16 2jmb n ARG 33 Ca -0.02 -4.07 -0.29 0.00 -0.00 0.00 0.00 57.85 53.47 2jmb n ARG 33 Cb 0.17 -2.85 0.08 0.00 0.00 0.00 0.00 32.46 29.86 2jmb n ARG 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 2jmb s LYS 34 N 0.36 2.10 -1.11 -0.14 0.00 -1.24 -2.55 119.74 117.16 2jmb s LYS 34 Ca 0.38 0.10 0.00 0.00 0.00 0.00 0.00 55.97 56.45 2jmb s LYS 34 Cb -0.04 -1.99 0.00 0.00 0.00 0.00 0.00 37.83 35.80 2jmb s LYS 34 CO -0.02 -1.48 0.00 0.43 0.00 0.00 0.00 175.35 174.28 2jmb n SER 35 N -3.23 -3.99 -0.18 0.03 7.64 -1.07 -4.83 113.62 107.99 2jmb n SER 35 Ca 0.08 0.19 -0.01 0.00 1.01 0.00 0.00 58.87 60.13 2jmb n SER 35 Cb 0.60 -3.40 0.08 0.00 -1.01 0.00 0.00 64.21 60.49 2jmb n SER 35 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jmb h ALA 36 N 0.99 0.66 -2.53 -0.43 0.00 -1.56 -3.44 119.26 112.95 2jmb h ALA 36 Ca -0.30 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 2jmb h ALA 36 Cb 1.21 0.09 -0.20 0.00 0.00 0.00 0.00 17.79 18.89 2jmb h ALA 36 CO 0.36 -0.25 -0.29 0.71 0.00 0.00 0.00 179.25 179.78 2jmb s TYR 37 N -6.12 -0.17 -0.06 0.00 1.51 -1.25 -5.07 117.35 106.20 2jmb s TYR 37 Ca -0.13 0.24 -0.31 0.00 -1.01 0.00 0.00 57.07 55.87 2jmb s TYR 37 Cb 0.16 0.09 0.07 0.00 -0.11 0.00 0.00 41.96 42.17 2jmb s TYR 37 CO 0.73 -0.38 0.68 -0.65 -1.11 0.00 0.00 175.55 174.82 2jmb s GLN 38 N -1.32 1.05 0.00 -0.62 -0.21 -1.26 -2.02 119.66 115.28 2jmb s GLN 38 Ca -0.14 0.28 0.00 0.00 0.02 0.00 0.00 55.36 55.52 2jmb s GLN 38 Cb -0.05 0.50 0.00 0.00 1.00 0.00 0.00 33.01 34.45 2jmb s GLN 38 CO 0.04 -0.32 0.00 0.41 -2.12 0.00 0.00 175.29 173.30 2jmb n GLY 39 N 0.96 0.99 3.41 3.09 0.00 -1.10 -4.55 105.19 108.00 2jmb n GLY 39 Ca -0.19 0.40 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 2jmb n GLY 39 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jmb s ARG 40 N 3.16 1.22 0.06 1.61 1.70 -1.26 -3.52 118.95 121.93 2jmb s ARG 40 Ca 0.00 -0.83 0.01 0.00 -0.47 0.00 0.00 55.73 54.45 2jmb s ARG 40 Cb 0.00 0.48 -0.03 0.00 -0.57 0.00 0.00 34.95 34.83 2jmb s ARG 40 CO 0.00 -0.50 -0.06 1.52 -1.08 0.00 0.00 175.30 175.18 2jmb s TYR 41 N -3.85 0.70 -0.12 5.89 1.13 -1.26 -1.29 117.35 118.55 2jmb s TYR 41 Ca 0.07 -0.75 0.03 0.00 -1.41 0.00 0.00 57.07 55.01 2jmb s TYR 41 Cb 0.01 -0.43 0.00 0.00 -1.10 0.00 0.00 41.96 40.44 2jmb s TYR 41 CO -0.06 -0.16 -0.22 -2.00 -2.51 0.00 0.00 175.55 170.59 2jmb s GLU 42 N -2.83 3.05 -0.19 -3.49 -6.30 -0.93 -3.49 118.70 104.52 2jmb s GLU 42 Ca 0.01 -0.85 -0.08 0.00 -2.50 0.00 0.00 54.97 51.55 2jmb s GLU 42 Cb -0.01 -2.40 -0.04 0.00 0.00 0.00 0.00 34.13 31.68 2jmb s GLU 42 CO -0.03 0.07 0.07 0.08 0.02 0.00 0.00 175.26 175.47 2jmb s VAL 43 N 0.61 4.82 -0.33 3.70 1.01 -1.26 -2.78 120.40 126.18 2jmb s VAL 43 Ca -0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.83 2jmb s VAL 43 Cb -0.17 -3.18 0.12 0.00 0.00 0.00 0.00 36.38 33.15 2jmb s VAL 43 CO 0.03 0.45 0.18 -0.60 0.00 0.00 0.00 175.10 175.15 2jmb s ARG 44 N 0.46 0.44 -1.21 2.72 3.00 0.34 -4.88 118.95 119.82 2jmb s ARG 44 Ca 0.04 -1.02 -0.06 0.00 -1.00 0.00 0.00 55.73 53.68 2jmb s ARG 44 Cb -0.12 -1.30 0.01 0.00 0.00 0.00 0.00 34.95 33.53 2jmb s ARG 44 CO 0.00 -1.12 1.04 0.41 0.00 0.00 0.00 175.30 175.63 2jmb n GLY 45 N 4.54 -0.39 2.50 8.12 0.00 -1.26 -1.74 105.19 116.96 2jmb n GLY 45 Ca 0.04 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2jmb n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jmb n ALA 46 N -4.55 0.00 -2.71 4.61 0.00 -1.26 -4.95 120.51 111.65 2jmb n ALA 46 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.00 2jmb n ALA 46 Cb 0.58 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.97 2jmb n ALA 46 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2jmb s HIS 47 N -2.58 3.46 0.03 0.00 4.02 -0.71 0.74 115.29 120.25 2jmb s HIS 47 Ca 0.00 0.73 -0.06 0.00 1.02 0.00 0.00 55.06 56.75 2jmb s HIS 47 Cb 0.00 -2.47 -0.01 0.00 -1.02 0.00 0.00 32.58 29.08 2jmb s HIS 47 CO 0.00 0.15 0.10 -1.50 1.02 0.00 0.00 174.74 174.51 2jmb s ILE 48 N 0.73 0.12 0.06 0.60 -1.16 -1.12 0.13 121.20 120.56 2jmb s ILE 48 Ca 0.21 -0.98 0.04 0.00 -0.51 0.00 0.00 60.65 59.40 2jmb s ILE 48 Cb -0.14 -0.75 -0.03 0.00 0.61 0.00 0.00 42.46 42.15 2jmb s ILE 48 CO 0.07 -0.54 -0.11 0.20 -2.81 0.00 0.00 174.94 171.75 2jmb s ASN 49 N -1.92 1.29 -0.32 4.50 0.01 -1.12 0.15 114.94 117.53 2jmb s ASN 49 Ca -0.08 -0.63 -0.11 0.00 -0.71 0.00 0.00 52.86 51.33 2jmb s ASN 49 Cb -0.03 -0.00 -0.02 0.00 0.41 0.00 0.00 41.25 41.61 2jmb s ASN 49 CO -0.03 -0.17 0.20 -0.31 -1.51 0.00 0.00 177.10 175.29 2jmb s TYR 50 N -1.54 3.21 -0.68 2.20 2.02 0.70 -2.20 117.35 121.07 2jmb s TYR 50 Ca -0.04 -0.33 -0.06 0.00 -0.37 0.00 0.00 57.07 56.27 2jmb s TYR 50 Cb -0.09 -2.42 0.18 0.00 -0.40 0.00 0.00 41.96 39.23 2jmb s TYR 50 CO 0.01 -0.38 0.52 -0.46 -1.57 0.00 0.00 175.55 173.67 2jmb s TRP 51 N 1.68 3.50 0.79 2.71 -0.00 -0.41 0.45 118.94 127.67 2jmb s TRP 51 Ca 0.06 -2.51 -0.11 0.00 -0.00 0.00 0.00 56.10 53.53 2jmb s TRP 51 Cb -0.17 -3.37 0.07 0.00 -0.00 0.00 0.00 33.47 30.00 2jmb s TRP 51 CO 0.09 -0.88 1.12 -0.51 -0.00 0.00 0.00 176.95 176.76 2jmb s ASP 52 N 1.11 4.12 0.09 5.86 1.11 0.39 -4.04 116.67 125.31 2jmb s ASP 52 Ca 0.17 1.99 0.26 0.00 0.18 0.00 0.00 52.55 55.15 2jmb s ASP 52 Cb -0.18 -2.54 0.67 0.00 1.07 0.00 0.00 42.92 41.94 2jmb s ASP 52 CO -0.05 -2.30 1.57 -0.67 1.18 0.00 0.00 175.17 174.91 2jmb n ASP 53 N -3.50 0.53 -1.51 0.27 -0.08 -1.26 -3.72 116.55 107.28 2jmb n ASP 53 Ca 0.10 0.22 -0.05 0.00 -1.51 0.00 0.00 54.79 53.55 2jmb n ASP 53 Cb 0.52 -0.17 0.17 0.00 2.34 0.00 0.00 41.12 43.98 2jmb n ASP 53 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 2jmb n THR 54 N -1.87 1.94 -1.62 5.18 5.66 -1.26 -4.85 114.28 117.46 2jmb n THR 54 Ca 0.05 -0.95 -0.02 0.00 -3.05 0.00 0.00 64.05 60.08 2jmb n THR 54 Cb 0.39 -0.54 -0.00 0.00 -1.55 0.00 0.00 70.33 68.63 2jmb n THR 54 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jmb n GLY 55 N -0.06 0.39 3.55 1.09 0.00 -1.24 -5.06 105.19 103.86 2jmb n GLY 55 Ca 0.25 -0.89 -0.25 0.00 0.00 0.00 0.00 46.02 45.13 2jmb n GLY 55 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jmb s PHE 56 N -2.08 2.42 -0.22 1.61 2.19 -1.25 -5.01 117.98 115.62 2jmb s PHE 56 Ca 0.00 -0.44 -0.26 0.00 0.33 0.00 0.00 56.93 56.55 2jmb s PHE 56 Cb 0.00 -1.31 0.08 0.00 -1.31 0.00 0.00 43.02 40.48 2jmb s PHE 56 CO 0.00 0.60 0.76 0.95 1.83 0.00 0.00 175.22 179.35 2jmb s THR 57 N -2.56 0.00 -0.07 0.12 -4.23 -1.25 -0.46 115.64 107.19 2jmb s THR 57 Ca 0.32 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.81 2jmb s THR 57 Cb 0.00 -1.00 0.04 0.00 1.34 0.00 0.00 72.50 72.88 2jmb s THR 57 CO 0.17 0.00 0.13 0.00 -0.54 0.00 0.00 174.62 174.38 2jmb s ALA 58 N -0.01 -0.07 0.28 3.99 0.00 0.17 -4.93 121.76 121.21 2jmb s ALA 58 Ca -0.02 0.47 -0.07 0.00 0.00 0.00 0.00 51.96 52.34 2jmb s ALA 58 Cb -0.04 -0.71 -0.06 0.00 0.00 0.00 0.00 23.12 22.32 2jmb s ALA 58 CO 0.02 -0.48 0.58 0.16 0.00 0.00 0.00 175.76 176.04 2jmb s ASP 59 N 2.09 6.51 0.00 0.00 1.47 -1.26 0.25 116.67 125.73 2jmb s ASP 59 Ca 0.02 0.84 0.00 0.00 1.18 0.00 0.00 52.55 54.58 2jmb s ASP 59 Cb -0.12 -2.19 0.00 0.00 -0.34 0.00 0.00 42.92 40.27 2jmb s ASP 59 CO -0.05 -0.18 0.00 0.61 0.68 0.00 0.00 175.17 176.23 2jmb n GLY 60 N -0.72 3.13 3.64 2.12 0.00 0.40 -3.04 105.19 110.72 2jmb n GLY 60 Ca -0.00 -1.08 -0.05 0.00 0.00 0.00 0.00 46.02 44.89 2jmb n GLY 60 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2jmb s ASP 61 N 0.37 -0.53 -0.43 1.61 -4.77 0.30 -2.80 116.67 110.42 2jmb s ASP 61 Ca 0.00 0.89 -0.29 0.00 -3.30 0.00 0.00 52.55 49.85 2jmb s ASP 61 Cb 0.00 1.11 0.02 0.00 -1.09 0.00 0.00 42.92 42.96 2jmb s ASP 61 CO 0.00 -0.14 1.32 -0.36 0.70 0.00 0.00 175.17 176.69 2jmb s PHE 62 N 1.00 2.54 -0.99 2.11 0.08 0.23 -1.57 117.98 121.38 2jmb s PHE 62 Ca -0.05 0.70 0.26 0.00 0.12 0.00 0.00 56.93 57.96 2jmb s PHE 62 Cb -0.04 -4.33 0.70 0.00 -0.57 0.00 0.00 43.02 38.77 2jmb s PHE 62 CO -0.12 -1.74 1.55 1.33 -0.10 0.00 0.00 175.22 176.13 2jmb n VAL 63 N 6.96 0.01 -3.52 -0.44 0.24 -1.23 -4.90 118.33 115.46 2jmb n VAL 63 Ca 0.15 -0.01 -0.10 0.00 -2.04 0.00 0.00 64.34 62.34 2jmb n VAL 63 Cb 0.48 0.04 -0.03 0.00 -1.47 0.00 0.00 33.84 32.86 2jmb n VAL 63 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2jmb s SER 64 N -3.04 -0.40 0.64 -1.34 0.15 -1.16 -4.92 113.70 103.62 2jmb s SER 64 Ca 0.12 0.17 0.34 0.00 0.70 0.00 0.00 55.95 57.27 2jmb s SER 64 Cb 0.18 0.38 1.88 0.00 -1.71 0.00 0.00 66.02 66.74 2jmb s SER 64 CO 0.66 -0.56 2.12 0.00 1.20 0.00 0.00 173.24 176.66 2jmb h ALA 65 N 2.23 1.43 0.00 5.45 0.00 -2.02 -2.00 119.26 124.35 2jmb h ALA 65 Ca -0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2jmb h ALA 65 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2jmb h ALA 65 CO 0.32 -0.23 -0.10 0.09 0.00 0.00 0.00 179.25 179.33 2jmb n ASN 66 N -3.31 0.30 -4.73 0.00 5.03 -1.26 -4.94 115.26 106.34 2jmb n ASN 66 Ca -0.01 -0.50 -0.31 0.00 0.87 0.00 0.00 54.58 54.63 2jmb n ASN 66 Cb 0.27 1.00 -0.08 0.00 -1.02 0.00 0.00 39.78 39.96 2jmb n ASN 66 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 2jmb s GLU 67 N -1.15 2.81 0.02 3.52 2.12 -0.75 -1.09 118.70 124.18 2jmb s GLU 67 Ca 0.00 -0.67 0.04 0.00 0.36 0.00 0.00 54.97 54.70 2jmb s GLU 67 Cb 0.01 -2.69 -0.01 0.00 0.26 0.00 0.00 34.13 31.69 2jmb s GLU 67 CO 0.04 0.59 -0.11 -1.17 -0.54 0.00 0.00 175.26 174.07 2jmb s LEU 68 N -2.04 2.10 -0.24 2.70 1.98 0.30 -3.01 118.68 120.46 2jmb s LEU 68 Ca 0.25 -0.32 0.01 0.00 -2.89 0.00 0.00 54.13 51.18 2jmb s LEU 68 Cb -0.12 -0.49 0.06 0.00 0.66 0.00 0.00 46.19 46.31 2jmb s LEU 68 CO 0.17 0.05 -0.03 -1.00 -1.89 0.00 0.00 176.35 173.65 2jmb s HIS 69 N -0.58 2.32 -0.04 5.38 3.76 -0.61 -0.56 115.29 124.96 2jmb s HIS 69 Ca 0.01 -1.76 -0.03 0.00 -0.15 0.00 0.00 55.06 53.14 2jmb s HIS 69 Cb -0.06 -1.62 0.02 0.00 1.11 0.00 0.00 32.58 32.03 2jmb s HIS 69 CO 0.00 -0.78 0.09 -3.38 -0.85 0.00 0.00 174.74 169.83 2jmb s HIS 70 N 1.42 -0.10 -1.64 1.40 -3.43 -1.08 0.11 115.29 111.97 2jmb s HIS 70 Ca -0.04 0.28 0.00 0.00 -0.80 0.00 0.00 55.06 54.50 2jmb s HIS 70 Cb -0.19 -0.03 0.00 0.00 -1.43 0.00 0.00 32.58 30.94 2jmb s HIS 70 CO -0.08 -0.08 0.00 0.41 -2.00 0.00 0.00 174.74 172.99 2jmb n GLY 71 N 3.45 0.95 2.00 -1.38 0.00 -1.17 -0.19 105.19 108.85 2jmb n GLY 71 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2jmb n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jmb n GLY 72 N -0.48 0.38 3.69 -0.02 0.00 -1.26 -5.05 105.19 102.45 2jmb n GLY 72 Ca -0.17 -1.05 -0.23 0.00 0.00 0.00 0.00 46.02 44.56 2jmb n GLY 72 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jmb s MET 73 N -2.44 2.28 -0.30 1.61 1.00 0.74 -5.11 119.30 117.08 2jmb s MET 73 Ca 0.00 -1.59 0.01 0.00 0.00 0.00 0.00 55.69 54.12 2jmb s MET 73 Cb 0.00 -2.11 0.07 0.00 0.00 0.00 0.00 34.83 32.79 2jmb s MET 73 CO 0.00 0.15 -0.03 0.99 0.00 0.00 0.00 175.02 176.14 2jmb s THR 74 N -2.44 2.53 -0.18 2.05 2.01 -1.26 -2.63 115.64 115.72 2jmb s THR 74 Ca 0.36 -1.71 -0.04 0.00 0.31 0.00 0.00 61.69 60.61 2jmb s THR 74 Cb -0.02 -2.56 -0.02 0.00 0.01 0.00 0.00 72.50 69.91 2jmb s THR 74 CO 0.21 -0.20 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.56 2jmb s PHE 75 N 1.12 3.01 -0.01 4.92 0.08 0.27 -3.71 117.98 123.66 2jmb s PHE 75 Ca -0.03 -0.46 -0.01 0.00 0.12 0.00 0.00 56.93 56.55 2jmb s PHE 75 Cb -0.20 -2.03 -0.04 0.00 -0.57 0.00 0.00 43.02 40.18 2jmb s PHE 75 CO -0.04 -0.20 0.09 0.71 -0.10 0.00 0.00 175.22 175.68 2jmb s TYR 76 N 0.79 3.32 0.24 0.36 1.51 0.21 0.11 117.35 123.89 2jmb s TYR 76 Ca -0.01 0.23 -0.30 0.00 -1.01 0.00 0.00 57.07 55.99 2jmb s TYR 76 Cb -0.14 -1.75 -0.09 0.00 -0.11 0.00 0.00 41.96 39.86 2jmb s TYR 76 CO 0.02 0.57 1.18 0.50 -1.11 0.00 0.00 175.55 176.70 2jmb s ARG 77 N -1.74 4.52 0.00 -0.62 6.06 -0.25 -0.14 118.95 126.78 2jmb s ARG 77 Ca 0.23 1.91 0.00 0.00 -2.50 0.00 0.00 55.73 55.37 2jmb s ARG 77 Cb -0.12 -3.19 0.00 0.00 0.06 0.00 0.00 34.95 31.70 2jmb s ARG 77 CO 0.14 0.01 0.00 -0.85 -2.50 0.00 0.00 175.30 172.10 2jmb n GLU 78 N 1.74 0.00 -0.61 5.12 0.00 0.65 -4.89 120.64 122.65 2jmb n GLU 78 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.18 2jmb n GLU 78 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.88 2jmb n GLU 78 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76