#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmb s GLN 2 N 0.00 2.68 -0.10 0.03 -0.21 -1.26 -4.74 119.66 116.06 2jmb s GLN 2 Ca 0.00 -0.41 -0.03 0.00 0.02 0.00 0.00 55.36 54.94 2jmb s GLN 2 Cb 0.00 -2.38 0.04 0.00 1.00 0.00 0.00 33.01 31.67 2jmb s GLN 2 CO 0.00 -0.72 0.06 -1.01 -2.12 0.00 0.00 175.29 171.50 2jmb s HIS 3 N -2.87 0.21 0.98 0.91 3.76 -1.26 -4.95 115.29 112.08 2jmb s HIS 3 Ca 0.55 -0.05 -0.11 0.00 -0.15 0.00 0.00 55.06 55.30 2jmb s HIS 3 Cb -0.10 -0.61 0.17 0.00 1.11 0.00 0.00 32.58 33.14 2jmb s HIS 3 CO 0.41 -0.34 1.02 -2.30 -0.85 0.00 0.00 174.74 172.68 2jmb n PRO 4 N 5.27 -0.89 0.00 8.40 -0.02 -1.26 -4.61 135.00 141.89 2jmb n PRO 4 Ca -0.05 -0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.23 2jmb n PRO 4 Cb 0.49 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 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 -4.35 -0.19 -1.90 6.00 4.02 -1.26 -4.94 117.16 114.53 2jmb n TYR 5 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.98 2jmb n TYR 5 Cb 0.53 0.14 0.00 0.00 -0.02 0.00 0.00 39.34 39.99 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 -1.79 -6.57 0.00 -0.72 0.31 -1.25 -5.06 118.33 103.25 2jmb n VAL 6 Ca 0.00 2.75 0.00 0.00 -0.01 0.00 0.00 64.34 67.08 2jmb n VAL 6 Cb 0.00 -3.69 0.00 0.00 -0.91 0.00 0.00 33.84 29.24 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 0.66 3.80 3.38 2.92 0.00 -0.62 -4.88 105.19 110.44 2jmb n GLY 7 Ca 0.00 -0.54 -0.45 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.73 4.93 -0.51 -0.61 1.01 -1.26 0.14 121.20 123.17 2jmb s ILE 8 Ca 0.00 -1.32 -0.23 0.00 0.00 0.00 0.00 60.65 59.10 2jmb s ILE 8 Cb 0.00 -4.53 0.04 0.00 0.01 0.00 0.00 42.46 37.98 2jmb s ILE 8 CO 0.00 -1.17 0.82 0.26 0.00 0.00 0.00 174.94 174.85 2jmb s TRP 9 N 2.28 2.91 0.20 3.97 0.52 0.30 0.24 118.94 129.37 2jmb s TRP 9 Ca 0.16 -0.09 0.09 0.00 0.02 0.00 0.00 56.10 56.27 2jmb s TRP 9 Cb -0.19 -3.82 -0.04 0.00 -1.15 0.00 0.00 33.47 28.27 2jmb s TRP 9 CO 0.01 -1.17 -0.08 0.08 0.02 0.00 0.00 176.95 175.82 2jmb s VAL 10 N 3.43 3.21 1.32 4.03 1.01 0.11 -0.07 120.40 133.44 2jmb s VAL 10 Ca 0.26 -1.73 -0.21 0.00 0.00 0.00 0.00 61.98 60.30 2jmb s VAL 10 Cb -0.14 -2.62 0.33 0.00 0.00 0.00 0.00 36.38 33.95 2jmb s VAL 10 CO 0.18 -0.17 1.03 0.42 0.00 0.00 0.00 175.10 176.57 2jmb s THR 11 N -1.85 1.39 -0.51 3.92 -4.23 -1.12 0.10 115.64 113.34 2jmb s THR 11 Ca 0.26 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 61.01 2jmb s THR 11 Cb -0.08 -2.31 0.33 0.00 1.34 0.00 0.00 72.50 71.77 2jmb s THR 11 CO 0.16 0.00 1.65 0.00 -0.54 0.00 0.00 174.62 175.89 2jmb h ALA 12 N -3.01 1.00 0.00 3.99 0.00 -1.94 -3.30 119.26 116.01 2jmb h ALA 12 Ca -0.43 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.25 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 0.29 0.00 -2.07 -3.47 0.00 0.00 0.00 179.25 174.00 2jmb n ASP 13 N -2.91 0.87 0.00 0.00 2.03 -1.26 -5.01 116.55 110.27 2jmb n ASP 13 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 2jmb n ASP 13 Cb 0.51 1.14 0.00 0.00 -0.72 0.00 0.00 41.12 42.04 2jmb n ASP 13 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jmb n GLY 14 N 1.85 1.15 0.09 0.27 0.00 -1.24 -4.98 105.19 102.32 2jmb n GLY 14 Ca -0.21 -0.37 -0.03 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 -4.03 1.61 -0.00 -1.95 -3.46 114.38 106.55 2jmb h ARG 15 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 59.98 59.84 2jmb h ARG 15 Cb 0.24 0.00 -0.18 0.00 -0.00 0.00 0.00 29.97 30.04 2jmb h ARG 15 CO 0.00 0.80 -0.63 0.96 -0.00 0.00 0.00 179.97 181.10 2jmb s ILE 16 N -2.89 0.16 -0.01 0.08 -5.25 -1.26 -2.85 121.20 109.18 2jmb s ILE 16 Ca 0.02 -1.32 0.01 0.00 -0.99 0.00 0.00 60.65 58.36 2jmb s ILE 16 Cb 0.10 -0.96 0.00 0.00 2.95 0.00 0.00 42.46 44.55 2jmb s ILE 16 CO 0.79 -0.73 -0.03 -0.60 -1.79 0.00 0.00 174.94 172.58 2jmb s ARG 17 N -2.81 0.32 -0.21 0.37 3.52 -1.02 -2.78 118.95 116.32 2jmb s ARG 17 Ca -0.03 -0.09 0.01 0.00 -0.13 0.00 0.00 55.73 55.48 2jmb s ARG 17 Cb -0.00 -0.34 0.05 0.00 -1.56 0.00 0.00 34.95 33.10 2jmb s ARG 17 CO -0.06 0.03 -0.08 -1.14 -0.81 0.00 0.00 175.30 173.25 2jmb s GLN 18 N 0.15 1.83 -0.17 5.12 0.74 0.90 0.11 119.66 128.34 2jmb s GLN 18 Ca -0.01 -0.87 -0.17 0.00 0.05 0.00 0.00 55.36 54.36 2jmb s GLN 18 Cb -0.04 -2.45 -0.04 0.00 1.10 0.00 0.00 33.01 31.58 2jmb s GLN 18 CO -0.00 -0.49 0.43 -2.00 -0.55 0.00 0.00 175.29 172.67 2jmb s GLU 19 N 1.41 4.24 -0.38 1.67 2.12 0.25 0.11 118.70 128.13 2jmb s GLU 19 Ca -0.03 0.30 -0.19 0.00 0.36 0.00 0.00 54.97 55.41 2jmb s GLU 19 Cb -0.17 -3.49 0.01 0.00 0.26 0.00 0.00 34.13 30.74 2jmb s GLU 19 CO -0.07 0.05 0.56 -0.51 -0.54 0.00 0.00 175.26 174.75 2jmb s LEU 20 N 1.01 4.43 0.78 2.70 1.43 0.36 0.53 118.68 129.92 2jmb s LEU 20 Ca 0.22 -0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 53.04 2jmb s LEU 20 Cb -0.15 -2.63 0.06 0.00 0.03 0.00 0.00 46.19 43.51 2jmb s LEU 20 CO 0.08 -0.59 1.13 -0.76 0.23 0.00 0.00 176.35 176.44 2jmb s LEU 21 N 2.53 3.11 0.56 1.79 1.02 0.40 -1.59 118.68 126.50 2jmb s LEU 21 Ca 0.20 2.03 0.37 0.00 0.02 0.00 0.00 54.13 56.75 2jmb s LEU 21 Cb -0.15 -4.55 1.87 0.00 0.02 0.00 0.00 46.19 43.38 2jmb s LEU 21 CO 0.15 -2.25 2.13 -0.65 0.02 0.00 0.00 176.35 175.75 2jmb h PRO 22 N -0.93 0.00 -0.73 1.29 0.11 -1.96 -1.79 132.00 127.99 2jmb h PRO 22 Ca -0.45 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 2jmb h PRO 22 Cb 1.25 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 2jmb h PRO 22 CO 0.49 0.00 0.08 0.09 -0.21 0.00 0.00 178.00 178.45 2jmb n ASN 23 N -2.91 4.48 -2.30 -2.05 3.02 -1.26 -4.89 115.26 109.36 2jmb n ASN 23 Ca -0.01 -2.79 -0.09 0.00 -0.03 0.00 0.00 54.58 51.66 2jmb n ASN 23 Cb 0.14 -0.66 0.04 0.00 -0.61 0.00 0.00 39.78 38.69 2jmb n ASN 23 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jmb n GLY 24 N 0.29 -0.02 3.33 7.41 0.00 -0.68 -4.85 105.19 110.67 2jmb n GLY 24 Ca 0.25 -0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 2jmb n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jmb s ARG 25 N -4.48 1.83 0.04 1.61 1.81 -1.17 -4.38 118.95 114.21 2jmb s ARG 25 Ca 0.06 -2.08 0.01 0.00 -1.72 0.00 0.00 55.73 51.99 2jmb s ARG 25 Cb -0.01 0.18 -0.03 0.00 -0.45 0.00 0.00 34.95 34.65 2jmb s ARG 25 CO 0.38 -0.65 -0.05 1.52 -0.68 0.00 0.00 175.30 175.83 2jmb s TYR 26 N -3.36 0.48 -0.24 -0.53 -0.85 -1.21 0.15 117.35 111.79 2jmb s TYR 26 Ca 0.38 -0.67 -0.03 0.00 -0.52 0.00 0.00 57.07 56.23 2jmb s TYR 26 Cb 0.02 -0.32 0.13 0.00 0.38 0.00 0.00 41.96 42.17 2jmb s TYR 26 CO 0.27 -0.20 0.40 -0.51 -1.52 0.00 0.00 175.55 173.99 2jmb s ASP 27 N -1.94 0.01 -0.17 -0.18 1.11 0.19 -2.51 116.67 113.17 2jmb s ASP 27 Ca -0.07 0.42 -0.08 0.00 0.18 0.00 0.00 52.55 53.01 2jmb s ASP 27 Cb -0.05 1.25 -0.04 0.00 1.07 0.00 0.00 42.92 45.15 2jmb s ASP 27 CO -0.03 -0.28 0.08 -0.70 1.18 0.00 0.00 175.17 175.41 2jmb s GLU 28 N 2.59 3.92 -0.30 8.23 2.12 -0.73 0.87 118.70 135.39 2jmb s GLU 28 Ca 0.11 -0.31 0.03 0.00 0.36 0.00 0.00 54.97 55.16 2jmb s GLU 28 Cb -0.15 -3.23 0.08 0.00 0.26 0.00 0.00 34.13 31.10 2jmb s GLU 28 CO -0.16 0.34 -0.02 0.00 -0.54 0.00 0.00 175.26 174.89 2jmb s ALA 29 N 0.18 2.76 0.09 6.30 0.00 0.31 -2.53 121.76 128.86 2jmb s ALA 29 Ca 0.05 -2.13 -0.03 0.00 0.00 0.00 0.00 51.96 49.85 2jmb s ALA 29 Cb -0.12 -1.82 -0.05 0.00 0.00 0.00 0.00 23.12 21.14 2jmb s ALA 29 CO 0.00 -1.44 0.29 1.03 0.00 0.00 0.00 175.76 175.64 2jmb s ARG 30 N 1.03 3.53 0.29 0.00 0.52 -0.79 -2.45 118.95 121.08 2jmb s ARG 30 Ca 0.01 -0.24 -0.28 0.00 -0.52 0.00 0.00 55.73 54.69 2jmb s ARG 30 Cb -0.20 -2.96 -0.14 0.00 0.52 0.00 0.00 34.95 32.17 2jmb s ARG 30 CO -0.06 0.55 1.01 0.41 0.02 0.00 0.00 175.30 177.24 2jmb n GLY 31 N 0.31 -0.25 2.41 -3.53 0.00 -1.13 -0.58 105.19 102.42 2jmb n GLY 31 Ca -0.05 0.33 -0.18 0.00 0.00 0.00 0.00 46.02 46.12 2jmb n GLY 31 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jmb n ASN 32 N 1.24 -4.93 -2.65 1.61 2.85 -1.26 -4.79 115.26 107.34 2jmb n ASN 32 Ca 0.10 0.38 -0.03 0.00 -0.11 0.00 0.00 54.58 54.91 2jmb n ASN 32 Cb 0.32 -4.35 0.05 0.00 1.24 0.00 0.00 39.78 37.03 2jmb n ASN 32 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 2jmb n ARG 33 N -2.35 0.02 -2.18 1.20 3.00 0.25 -5.17 116.66 111.43 2jmb n ARG 33 Ca -0.19 -0.56 -0.26 0.00 -0.00 0.00 0.00 57.85 56.84 2jmb n ARG 33 Cb 0.61 0.35 0.07 0.00 0.00 0.00 0.00 32.46 33.49 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 0.84 2.22 -0.82 -0.14 0.00 -1.09 -1.89 119.74 118.86 2jmb s LYS 34 Ca 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 55.97 56.00 2jmb s LYS 34 Cb 0.16 -2.15 0.00 0.00 0.00 0.00 0.00 37.83 35.84 2jmb s LYS 34 CO -0.11 -1.24 0.00 0.43 0.00 0.00 0.00 175.35 174.43 2jmb n SER 35 N -2.94 -3.21 -0.04 0.03 7.64 -1.19 -4.82 113.62 109.08 2jmb n SER 35 Ca 0.08 0.26 -0.08 0.00 1.01 0.00 0.00 58.87 60.14 2jmb n SER 35 Cb 0.60 -2.78 -0.02 0.00 -1.01 0.00 0.00 64.21 61.01 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 1.00 0.07 -2.57 -0.43 0.00 -1.62 -3.45 119.26 112.27 2jmb h ALA 36 Ca -0.22 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 2jmb h ALA 36 Cb 1.14 0.26 -0.21 0.00 0.00 0.00 0.00 17.79 18.99 2jmb h ALA 36 CO 0.27 -0.53 -0.27 0.71 0.00 0.00 0.00 179.25 179.43 2jmb s TYR 37 N -6.18 -0.23 -0.04 0.00 1.51 -1.25 -5.07 117.35 106.10 2jmb s TYR 37 Ca -0.14 0.40 -0.24 0.00 -1.01 0.00 0.00 57.07 56.08 2jmb s TYR 37 Cb 0.11 0.11 0.05 0.00 -0.11 0.00 0.00 41.96 42.12 2jmb s TYR 37 CO 0.69 -0.36 0.53 -0.65 -1.11 0.00 0.00 175.55 174.65 2jmb s GLN 38 N -1.05 0.89 0.00 -0.62 1.11 -1.26 -1.78 119.66 116.95 2jmb s GLN 38 Ca -0.11 0.10 0.00 0.00 0.01 0.00 0.00 55.36 55.36 2jmb s GLN 38 Cb -0.05 0.41 0.00 0.00 -1.01 0.00 0.00 33.01 32.37 2jmb s GLN 38 CO 0.04 -0.26 0.00 0.41 0.01 0.00 0.00 175.29 175.48 2jmb n GLY 39 N 1.11 1.14 3.45 3.09 0.00 -1.04 -4.62 105.19 108.33 2jmb n GLY 39 Ca -0.20 0.36 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 3.30 1.28 0.06 1.61 1.70 -1.26 -3.36 118.95 122.28 2jmb s ARG 40 Ca 0.00 -0.88 0.01 0.00 -0.47 0.00 0.00 55.73 54.39 2jmb s ARG 40 Cb 0.00 0.49 -0.03 0.00 -0.57 0.00 0.00 34.95 34.84 2jmb s ARG 40 CO 0.00 -0.53 -0.05 1.52 -1.08 0.00 0.00 175.30 175.16 2jmb s TYR 41 N -3.87 0.62 -0.12 5.89 1.13 -1.26 -1.46 117.35 118.28 2jmb s TYR 41 Ca 0.09 -0.82 0.03 0.00 -1.41 0.00 0.00 57.07 54.96 2jmb s TYR 41 Cb 0.00 -0.40 0.01 0.00 -1.10 0.00 0.00 41.96 40.47 2jmb s TYR 41 CO -0.04 -0.22 -0.22 -2.00 -2.51 0.00 0.00 175.55 170.56 2jmb s GLU 42 N -3.03 2.88 -0.16 -3.49 2.12 -0.88 -4.05 118.70 112.09 2jmb s GLU 42 Ca 0.01 -0.81 -0.06 0.00 0.36 0.00 0.00 54.97 54.47 2jmb s GLU 42 Cb 0.01 -2.27 -0.04 0.00 0.26 0.00 0.00 34.13 32.09 2jmb s GLU 42 CO -0.05 0.06 0.03 0.08 -0.54 0.00 0.00 175.26 174.85 2jmb s VAL 43 N 0.64 4.55 -0.28 3.70 1.01 -1.26 -2.54 120.40 126.22 2jmb s VAL 43 Ca -0.12 -0.13 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 2jmb s VAL 43 Cb -0.16 -3.02 0.11 0.00 0.00 0.00 0.00 36.38 33.31 2jmb s VAL 43 CO 0.03 0.50 0.19 -0.13 0.00 0.00 0.00 175.10 175.69 2jmb s ARG 44 N 0.11 0.23 -1.36 2.72 1.81 0.29 -4.82 118.95 117.92 2jmb s ARG 44 Ca 0.03 -0.31 -0.07 0.00 -1.72 0.00 0.00 55.73 53.66 2jmb s ARG 44 Cb -0.13 -1.03 0.02 0.00 -0.45 0.00 0.00 34.95 33.37 2jmb s ARG 44 CO 0.01 -0.97 1.06 0.41 -0.68 0.00 0.00 175.30 175.13 2jmb n GLY 45 N 5.28 -0.48 2.74 -3.53 0.00 -1.26 -1.03 105.19 106.92 2jmb n GLY 45 Ca -0.05 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -4.70 0.00 -2.68 4.61 0.00 -1.26 -4.96 120.51 111.52 2jmb n ALA 46 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.99 2jmb n ALA 46 Cb 0.58 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.96 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 -3.20 3.40 0.04 0.00 4.02 -0.19 0.68 115.29 120.04 2jmb s HIS 47 Ca 0.00 0.67 0.03 0.00 1.02 0.00 0.00 55.06 56.78 2jmb s HIS 47 Cb 0.00 -2.53 -0.02 0.00 -1.02 0.00 0.00 32.58 29.01 2jmb s HIS 47 CO 0.00 0.03 -0.09 -1.50 1.02 0.00 0.00 174.74 174.19 2jmb s ILE 48 N 1.18 0.67 0.01 0.60 -1.16 -0.67 0.10 121.20 121.94 2jmb s ILE 48 Ca 0.20 -0.99 0.03 0.00 -0.51 0.00 0.00 60.65 59.38 2jmb s ILE 48 Cb -0.15 -0.69 -0.01 0.00 0.61 0.00 0.00 42.46 42.22 2jmb s ILE 48 CO 0.08 -0.25 -0.09 0.20 -2.81 0.00 0.00 174.94 172.07 2jmb s ASN 49 N -1.36 1.10 -0.36 4.50 0.02 -1.05 0.21 114.94 117.99 2jmb s ASN 49 Ca -0.06 -0.30 -0.14 0.00 -1.02 0.00 0.00 52.86 51.35 2jmb s ASN 49 Cb -0.09 -0.08 -0.01 0.00 0.02 0.00 0.00 41.25 41.10 2jmb s ASN 49 CO 0.01 0.03 0.28 -0.31 0.02 0.00 0.00 177.10 177.12 2jmb s TYR 50 N -0.57 3.23 -0.69 2.20 2.02 0.63 -2.08 117.35 122.08 2jmb s TYR 50 Ca 0.00 -0.28 -0.06 0.00 -0.37 0.00 0.00 57.07 56.37 2jmb s TYR 50 Cb -0.05 -2.54 0.18 0.00 -0.40 0.00 0.00 41.96 39.14 2jmb s TYR 50 CO 0.00 -0.43 0.54 -0.46 -1.57 0.00 0.00 175.55 173.63 2jmb s TRP 51 N 1.77 3.51 0.79 2.71 -0.00 -0.53 0.51 118.94 127.69 2jmb s TRP 51 Ca 0.07 -2.54 -0.12 0.00 -0.00 0.00 0.00 56.10 53.51 2jmb s TRP 51 Cb -0.18 -3.36 0.07 0.00 -0.00 0.00 0.00 33.47 30.00 2jmb s TRP 51 CO 0.11 -0.88 1.13 -0.51 -0.00 0.00 0.00 176.95 176.80 2jmb s ASP 52 N 1.03 4.10 0.09 5.86 1.11 0.38 -4.13 116.67 125.11 2jmb s ASP 52 Ca 0.18 2.05 0.26 0.00 0.18 0.00 0.00 52.55 55.22 2jmb s ASP 52 Cb -0.17 -2.55 0.69 0.00 1.07 0.00 0.00 42.92 41.96 2jmb s ASP 52 CO -0.05 -2.31 1.58 0.47 1.18 0.00 0.00 175.17 176.04 2jmb n ASP 53 N -3.39 0.53 -1.54 0.27 8.00 -1.26 -3.70 116.55 115.45 2jmb n ASP 53 Ca 0.11 0.23 -0.05 0.00 0.71 0.00 0.00 54.79 55.79 2jmb n ASP 53 Cb 0.52 -0.19 0.18 0.00 -0.02 0.00 0.00 41.12 41.61 2jmb n ASP 53 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 2jmb n THR 54 N -1.87 1.99 -1.74 -3.53 5.66 -1.26 -4.85 114.28 108.67 2jmb n THR 54 Ca 0.05 -0.99 -0.01 0.00 -3.05 0.00 0.00 64.05 60.05 2jmb n THR 54 Cb 0.39 -0.52 -0.00 0.00 -1.55 0.00 0.00 70.33 68.65 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 -0.04 0.37 3.52 1.09 0.00 -1.24 -5.06 105.19 103.82 2jmb n GLY 55 Ca 0.26 -0.91 -0.25 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.04 2.35 -0.21 1.61 2.19 -1.25 -5.01 117.98 115.62 2jmb s PHE 56 Ca 0.00 -0.48 -0.27 0.00 0.33 0.00 0.00 56.93 56.51 2jmb s PHE 56 Cb 0.00 -1.30 0.08 0.00 -1.31 0.00 0.00 43.02 40.49 2jmb s PHE 56 CO 0.00 0.59 0.76 0.95 1.83 0.00 0.00 175.22 179.35 2jmb s THR 57 N -2.62 0.00 -0.08 0.12 -4.23 -1.25 -0.47 115.64 107.11 2jmb s THR 57 Ca 0.32 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.79 2jmb s THR 57 Cb 0.01 -1.00 0.05 0.00 1.34 0.00 0.00 72.50 72.90 2jmb s THR 57 CO 0.16 0.00 0.16 0.00 -0.54 0.00 0.00 174.62 174.40 2jmb s ALA 58 N -0.11 -0.20 0.36 3.99 0.00 0.18 -4.93 121.76 121.06 2jmb s ALA 58 Ca -0.03 0.60 -0.08 0.00 0.00 0.00 0.00 51.96 52.46 2jmb s ALA 58 Cb -0.03 -0.76 -0.06 0.00 0.00 0.00 0.00 23.12 22.27 2jmb s ALA 58 CO 0.02 -0.50 0.68 0.34 0.00 0.00 0.00 175.76 176.31 2jmb s ASP 59 N 2.10 6.47 0.07 0.00 -1.08 -1.26 0.23 116.67 123.20 2jmb s ASP 59 Ca 0.01 0.94 -0.03 0.00 -0.52 0.00 0.00 52.55 52.95 2jmb s ASP 59 Cb -0.12 -2.24 0.01 0.00 -1.46 0.00 0.00 42.92 39.11 2jmb s ASP 59 CO -0.06 -0.33 0.15 0.61 0.52 0.00 0.00 175.17 176.06 2jmb n GLY 60 N -1.23 1.72 3.64 2.66 0.00 0.56 -2.69 105.19 109.86 2jmb n GLY 60 Ca 0.01 -1.04 -0.05 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.38 -0.51 -0.41 1.61 -4.77 0.30 -1.67 116.67 109.84 2jmb s ASP 61 Ca 0.03 0.88 -0.29 0.00 -3.30 0.00 0.00 52.55 49.87 2jmb s ASP 61 Cb -0.01 1.09 0.01 0.00 -1.09 0.00 0.00 42.92 42.92 2jmb s ASP 61 CO 0.02 -0.14 1.37 -0.36 0.70 0.00 0.00 175.17 176.76 2jmb s PHE 62 N 0.93 2.46 -0.47 2.11 0.08 0.21 -1.86 117.98 121.44 2jmb s PHE 62 Ca -0.04 0.69 0.24 0.00 0.12 0.00 0.00 56.93 57.93 2jmb s PHE 62 Cb -0.04 -4.31 0.35 0.00 -0.57 0.00 0.00 43.02 38.45 2jmb s PHE 62 CO -0.12 -1.88 1.48 -0.39 -0.10 0.00 0.00 175.22 174.21 2jmb h VAL 63 N 6.41 0.00 -3.68 -0.44 -1.51 -1.88 -3.47 116.25 111.68 2jmb h VAL 63 Ca -0.27 -0.84 -0.13 0.00 -1.23 0.00 0.00 66.70 64.23 2jmb h VAL 63 Cb 1.10 1.68 -0.07 0.00 -2.13 0.00 0.00 31.29 31.87 2jmb h VAL 63 CO 1.09 0.00 -0.06 -0.55 -1.23 0.00 0.00 177.57 176.82 2jmb s SER 64 N -5.48 0.29 0.49 4.19 0.15 -1.21 -4.97 113.70 107.16 2jmb s SER 64 Ca 0.06 -1.16 0.28 0.00 0.70 0.00 0.00 55.95 55.83 2jmb s SER 64 Cb 0.08 0.67 1.02 0.00 -1.71 0.00 0.00 66.02 66.08 2jmb s SER 64 CO 0.69 -1.31 1.86 0.00 1.20 0.00 0.00 173.24 175.68 2jmb h ALA 65 N 2.15 1.00 0.00 5.45 0.00 -2.02 -3.25 119.26 122.58 2jmb h ALA 65 Ca -0.28 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2jmb h ALA 65 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2jmb h ALA 65 CO 0.37 0.12 0.00 0.09 0.00 0.00 0.00 179.25 179.83 2jmb n ASN 66 N -3.20 0.14 -4.74 0.00 5.03 -1.26 -4.95 115.26 106.27 2jmb n ASN 66 Ca 0.01 -0.54 -0.31 0.00 0.87 0.00 0.00 54.58 54.61 2jmb n ASN 66 Cb 0.40 0.79 -0.07 0.00 -1.02 0.00 0.00 39.78 39.88 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 -0.79 2.79 0.01 3.52 2.12 -1.23 -1.20 118.70 123.92 2jmb s GLU 67 Ca 0.00 -0.71 0.04 0.00 0.36 0.00 0.00 54.97 54.66 2jmb s GLU 67 Cb 0.00 -2.68 -0.01 0.00 0.26 0.00 0.00 34.13 31.70 2jmb s GLU 67 CO 0.00 0.57 -0.12 -1.17 -0.54 0.00 0.00 175.26 174.01 2jmb s LEU 68 N -2.22 2.08 -0.25 2.70 1.98 0.35 -3.32 118.68 120.01 2jmb s LEU 68 Ca 0.27 -0.30 0.01 0.00 -2.89 0.00 0.00 54.13 51.21 2jmb s LEU 68 Cb -0.12 -0.55 0.07 0.00 0.66 0.00 0.00 46.19 46.25 2jmb s LEU 68 CO 0.19 0.08 -0.02 -1.00 -1.89 0.00 0.00 176.35 173.71 2jmb s HIS 69 N -0.51 2.33 -0.06 5.38 3.76 -0.78 -0.69 115.29 124.72 2jmb s HIS 69 Ca 0.03 -1.80 -0.04 0.00 -0.15 0.00 0.00 55.06 53.10 2jmb s HIS 69 Cb -0.06 -1.67 0.02 0.00 1.11 0.00 0.00 32.58 31.98 2jmb s HIS 69 CO 0.00 -0.79 0.14 -3.38 -0.85 0.00 0.00 174.74 169.87 2jmb s HIS 70 N 1.41 -0.16 -1.90 1.40 -3.43 -1.12 0.11 115.29 111.60 2jmb s HIS 70 Ca -0.02 0.43 0.00 0.00 -0.80 0.00 0.00 55.06 54.67 2jmb s HIS 70 Cb -0.19 -0.00 0.00 0.00 -1.43 0.00 0.00 32.58 30.96 2jmb s HIS 70 CO -0.09 -0.11 0.00 0.41 -2.00 0.00 0.00 174.74 172.95 2jmb n GLY 71 N 3.51 1.35 2.02 -1.38 0.00 -1.09 -0.67 105.19 108.93 2jmb n GLY 71 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.46 0.39 3.64 -0.02 0.00 -1.26 -5.05 105.19 102.43 2jmb n GLY 72 Ca -0.19 -0.95 -0.25 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.08 2.09 -0.29 1.61 1.00 0.16 -5.12 119.30 115.67 2jmb s MET 73 Ca 0.00 -1.75 0.02 0.00 0.00 0.00 0.00 55.69 53.96 2jmb s MET 73 Cb 0.00 -1.93 0.07 0.00 0.00 0.00 0.00 34.83 32.96 2jmb s MET 73 CO 0.00 0.12 -0.04 0.99 0.00 0.00 0.00 175.02 176.09 2jmb s THR 74 N -2.52 2.41 -0.16 2.05 2.01 -1.26 -2.79 115.64 115.38 2jmb s THR 74 Ca 0.35 -1.76 -0.03 0.00 0.31 0.00 0.00 61.69 60.56 2jmb s THR 74 Cb 0.00 -2.50 -0.02 0.00 0.01 0.00 0.00 72.50 69.99 2jmb s THR 74 CO 0.20 -0.20 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.52 2jmb s PHE 75 N 1.09 2.98 0.01 4.92 0.08 0.14 -3.78 117.98 123.42 2jmb s PHE 75 Ca -0.03 -0.42 0.00 0.00 0.12 0.00 0.00 56.93 56.60 2jmb s PHE 75 Cb -0.20 -1.96 -0.04 0.00 -0.57 0.00 0.00 43.02 40.26 2jmb s PHE 75 CO -0.05 -0.12 0.07 0.71 -0.10 0.00 0.00 175.22 175.73 2jmb s TYR 76 N 0.49 3.24 0.23 0.36 1.51 0.29 0.13 117.35 123.60 2jmb s TYR 76 Ca -0.04 0.17 -0.30 0.00 -1.01 0.00 0.00 57.07 55.89 2jmb s TYR 76 Cb -0.15 -1.71 -0.09 0.00 -0.11 0.00 0.00 41.96 39.90 2jmb s TYR 76 CO 0.03 0.53 1.19 0.50 -1.11 0.00 0.00 175.55 176.70 2jmb s ARG 77 N -1.78 4.51 0.00 -0.62 6.06 -0.34 0.04 118.95 126.81 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 -3.21 0.00 0.00 0.06 0.00 0.00 34.95 31.69 2jmb s ARG 77 CO 0.14 -0.04 0.00 -1.91 -2.50 0.00 0.00 175.30 171.00 2jmb n GLU 78 N 2.00 0.00 -0.58 5.12 0.00 0.66 -4.89 120.64 122.94 2jmb n GLU 78 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.19 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