#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 1.80 -0.20 0.03 -0.21 -1.26 -4.58 119.66 115.24 2jmb s GLN 2 Ca 0.00 -1.49 -0.01 0.00 0.02 0.00 0.00 55.36 53.88 2jmb s GLN 2 Cb 0.00 -1.96 0.05 0.00 1.00 0.00 0.00 33.01 32.11 2jmb s GLN 2 CO 0.00 0.39 -0.02 -1.01 -2.12 0.00 0.00 175.29 172.53 2jmb s HIS 3 N -1.94 1.78 0.98 0.91 3.76 -1.26 -4.97 115.29 114.55 2jmb s HIS 3 Ca 0.25 -1.29 -0.15 0.00 -0.15 0.00 0.00 55.06 53.72 2jmb s HIS 3 Cb -0.07 -1.33 -0.05 0.00 1.11 0.00 0.00 32.58 32.24 2jmb s HIS 3 CO 0.14 -0.68 -0.20 -2.30 -0.85 0.00 0.00 174.74 170.85 2jmb n PRO 4 N 4.85 -0.23 0.00 8.40 -0.02 -1.26 -4.72 135.00 142.01 2jmb n PRO 4 Ca -0.11 -0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 2jmb n PRO 4 Cb 0.46 -1.46 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 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 -3.19 0.00 -2.03 6.00 4.02 -1.26 -4.94 117.16 115.75 2jmb n TYR 5 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 2jmb n TYR 5 Cb 0.56 0.27 0.00 0.00 -0.02 0.00 0.00 39.34 40.15 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 -2.26 -9.67 0.00 -0.72 0.31 -1.25 -5.06 118.33 99.69 2jmb n VAL 6 Ca 0.00 3.14 0.00 0.00 -0.01 0.00 0.00 64.34 67.47 2jmb n VAL 6 Cb 0.08 -4.53 0.00 0.00 -0.91 0.00 0.00 33.84 28.48 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 1.21 3.78 3.39 2.92 0.00 -0.53 -4.88 105.19 111.07 2jmb n GLY 7 Ca 0.00 -0.60 -0.45 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.86 4.89 -0.51 -0.61 1.01 -1.26 0.14 121.20 122.99 2jmb s ILE 8 Ca 0.00 -1.28 -0.22 0.00 0.00 0.00 0.00 60.65 59.14 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 -1.21 0.81 0.26 0.00 0.00 0.00 174.94 174.80 2jmb s TRP 9 N 2.40 2.92 0.19 3.97 0.52 0.30 0.25 118.94 129.49 2jmb s TRP 9 Ca 0.17 -0.13 0.08 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 28.29 2jmb s TRP 9 CO 0.01 -1.17 0.01 0.08 0.02 0.00 0.00 176.95 175.90 2jmb s VAL 10 N 3.40 3.69 1.08 4.03 1.01 0.11 0.01 120.40 133.73 2jmb s VAL 10 Ca 0.26 -1.51 -0.14 0.00 0.00 0.00 0.00 61.98 60.58 2jmb s VAL 10 Cb -0.14 -2.88 0.23 0.00 0.00 0.00 0.00 36.38 33.58 2jmb s VAL 10 CO 0.18 -0.17 1.09 0.42 0.00 0.00 0.00 175.10 176.62 2jmb s THR 11 N -1.85 1.89 -0.09 3.92 -4.23 -1.05 0.39 115.64 114.62 2jmb s THR 11 Ca 0.28 0.00 0.30 0.00 -1.18 0.00 0.00 61.69 61.09 2jmb s THR 11 Cb -0.09 -2.47 0.37 0.00 1.34 0.00 0.00 72.50 71.66 2jmb s THR 11 CO 0.19 0.00 1.86 0.00 -0.54 0.00 0.00 174.62 176.12 2jmb h ALA 12 N -2.16 1.00 0.00 3.99 0.00 -1.93 -3.13 119.26 117.03 2jmb h ALA 12 Ca -0.53 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2jmb h ALA 12 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2jmb h ALA 12 CO 0.51 0.00 -1.43 -0.25 0.00 0.00 0.00 179.25 178.08 2jmb n ASP 13 N -3.08 1.11 0.00 0.00 9.92 -1.26 -4.99 116.55 118.25 2jmb n ASP 13 Ca 0.02 -0.27 0.00 0.00 -0.53 0.00 0.00 54.79 54.00 2jmb n ASP 13 Cb 0.38 1.51 0.00 0.00 -0.64 0.00 0.00 41.12 42.37 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 1.51 0.50 0.24 0.44 0.00 -1.18 -4.92 105.19 101.77 2jmb n GLY 14 Ca -0.01 -0.67 0.12 0.00 0.00 0.00 0.00 46.02 45.45 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 0.41 0.00 -3.57 1.61 -0.00 -1.94 -3.45 114.38 107.44 2jmb h ARG 15 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 59.98 59.88 2jmb h ARG 15 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 29.97 29.81 2jmb h ARG 15 CO 0.00 0.18 -0.34 0.96 -0.00 0.00 0.00 179.97 180.76 2jmb s ILE 16 N -3.73 0.11 -0.03 0.08 -5.25 -1.26 -3.70 121.20 107.42 2jmb s ILE 16 Ca 0.00 -0.91 0.01 0.00 -0.99 0.00 0.00 60.65 58.75 2jmb s ILE 16 Cb 0.10 -1.04 0.02 0.00 2.95 0.00 0.00 42.46 44.50 2jmb s ILE 16 CO 0.61 -0.50 -0.00 -0.60 -1.79 0.00 0.00 174.94 172.66 2jmb s ARG 17 N -2.96 0.29 -0.25 0.37 3.52 -1.04 -2.52 118.95 116.38 2jmb s ARG 17 Ca -0.02 0.05 0.02 0.00 -0.13 0.00 0.00 55.73 55.65 2jmb s ARG 17 Cb 0.01 -0.44 0.05 0.00 -1.56 0.00 0.00 34.95 33.00 2jmb s ARG 17 CO -0.06 -0.11 -0.12 -1.14 -0.81 0.00 0.00 175.30 173.07 2jmb s GLN 18 N 0.86 2.46 -0.17 5.12 0.74 0.10 0.92 119.66 129.70 2jmb s GLN 18 Ca -0.09 -1.20 -0.17 0.00 0.05 0.00 0.00 55.36 53.95 2jmb s GLN 18 Cb -0.12 -2.85 -0.04 0.00 1.10 0.00 0.00 33.01 31.10 2jmb s GLN 18 CO -0.01 -0.48 0.46 -2.00 -0.55 0.00 0.00 175.29 172.70 2jmb s GLU 19 N 1.17 4.25 -0.39 1.67 2.12 0.28 0.11 118.70 127.92 2jmb s GLU 19 Ca -0.05 0.36 -0.19 0.00 0.36 0.00 0.00 54.97 55.45 2jmb s GLU 19 Cb -0.18 -3.50 0.01 0.00 0.26 0.00 0.00 34.13 30.72 2jmb s GLU 19 CO -0.06 0.02 0.56 -0.51 -0.54 0.00 0.00 175.26 174.73 2jmb s LEU 20 N 1.08 4.45 0.75 2.70 1.43 0.37 0.11 118.68 129.58 2jmb s LEU 20 Ca 0.23 -0.19 -0.13 0.00 -1.03 0.00 0.00 54.13 53.01 2jmb s LEU 20 Cb -0.15 -2.63 0.05 0.00 0.03 0.00 0.00 46.19 43.49 2jmb s LEU 20 CO 0.09 -0.61 1.14 -0.76 0.23 0.00 0.00 176.35 176.45 2jmb s LEU 21 N 2.54 3.19 0.51 1.79 1.02 0.42 -1.45 118.68 126.69 2jmb s LEU 21 Ca 0.20 2.12 0.34 0.00 0.02 0.00 0.00 54.13 56.81 2jmb s LEU 21 Cb -0.15 -4.56 1.74 0.00 0.02 0.00 0.00 46.19 43.24 2jmb s LEU 21 CO 0.15 -2.20 2.04 -0.65 0.02 0.00 0.00 176.35 175.71 2jmb h PRO 22 N -0.68 0.00 -0.75 1.29 0.11 -1.96 -1.55 132.00 128.46 2jmb h PRO 22 Ca -0.46 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 2jmb h PRO 22 Cb 1.26 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 2jmb h PRO 22 CO 0.50 0.00 0.10 0.27 -0.21 0.00 0.00 178.00 178.65 2jmb n ASN 23 N -2.76 4.34 -2.42 -2.05 6.94 -1.26 -4.89 115.26 113.16 2jmb n ASN 23 Ca -0.01 -2.79 -0.10 0.00 -0.02 0.00 0.00 54.58 51.66 2jmb n ASN 23 Cb 0.12 -0.66 0.05 0.00 -2.36 0.00 0.00 39.78 36.93 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 0.23 -0.04 3.22 4.83 0.00 -0.59 -4.86 105.19 107.97 2jmb n GLY 24 Ca 0.25 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.81 0.42 -4.09 1.61 5.12 -1.17 -4.40 116.66 111.34 2jmb n ARG 25 Ca -0.16 -3.34 -0.13 0.00 -1.93 0.00 0.00 57.85 52.28 2jmb n ARG 25 Cb 0.60 2.68 -0.11 0.00 -1.16 0.00 0.00 32.46 34.46 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 -3.34 0.75 -0.22 -1.55 -0.85 -1.20 0.16 117.35 111.11 2jmb s TYR 26 Ca 0.39 -0.53 -0.03 0.00 -0.52 0.00 0.00 57.07 56.37 2jmb s TYR 26 Cb 0.02 -0.44 0.11 0.00 0.38 0.00 0.00 41.96 42.02 2jmb s TYR 26 CO 0.27 -0.07 0.29 -0.51 -1.52 0.00 0.00 175.55 174.01 2jmb s ASP 27 N -1.74 0.91 -0.15 -0.18 1.11 0.29 -2.71 116.67 114.20 2jmb s ASP 27 Ca -0.07 -0.04 -0.06 0.00 0.18 0.00 0.00 52.55 52.56 2jmb s ASP 27 Cb -0.09 0.69 -0.04 0.00 1.07 0.00 0.00 42.92 44.55 2jmb s ASP 27 CO 0.00 -0.32 0.07 -0.70 1.18 0.00 0.00 175.17 175.41 2jmb s GLU 28 N 2.42 3.65 -0.30 8.23 2.12 -0.89 0.10 118.70 134.03 2jmb s GLU 28 Ca 0.09 -0.30 0.03 0.00 0.36 0.00 0.00 54.97 55.16 2jmb s GLU 28 Cb -0.16 -3.13 0.08 0.00 0.26 0.00 0.00 34.13 31.18 2jmb s GLU 28 CO -0.14 0.49 -0.03 0.00 -0.54 0.00 0.00 175.26 175.05 2jmb s ALA 29 N -0.24 2.74 -0.30 6.30 0.00 0.26 -2.10 121.76 128.43 2jmb s ALA 29 Ca 0.08 -2.13 -0.10 0.00 0.00 0.00 0.00 51.96 49.82 2jmb s ALA 29 Cb -0.12 -1.79 -0.02 0.00 0.00 0.00 0.00 23.12 21.19 2jmb s ALA 29 CO 0.01 -1.44 0.15 1.03 0.00 0.00 0.00 175.76 175.51 2jmb s ARG 30 N 1.02 3.49 2.25 0.00 0.52 -1.10 -2.50 118.95 122.63 2jmb s ARG 30 Ca 0.00 -0.62 0.00 0.00 -0.52 0.00 0.00 55.73 54.60 2jmb s ARG 30 Cb -0.20 -3.55 0.00 0.00 0.52 0.00 0.00 34.95 31.72 2jmb s ARG 30 CO -0.06 -0.35 0.00 0.41 0.02 0.00 0.00 175.30 175.32 2jmb n GLY 31 N 4.99 0.90 0.33 -3.53 0.00 -1.24 -1.84 105.19 104.80 2jmb n GLY 31 Ca -0.14 -0.69 0.20 0.00 0.00 0.00 0.00 46.02 45.39 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 3.63 0.00 -2.57 1.61 4.21 -1.96 -3.29 115.58 117.21 2jmb h ASN 32 Ca 0.00 0.00 -0.75 0.00 1.21 0.00 0.00 56.30 56.76 2jmb h ASN 32 Cb 0.00 0.00 -0.20 0.00 -1.12 0.00 0.00 38.32 37.00 2jmb h ASN 32 CO 0.00 0.00 1.08 -0.60 -1.29 0.00 0.00 177.43 176.62 2jmb s ARG 33 N -4.25 4.09 0.81 0.81 6.06 -0.77 -5.02 118.95 120.69 2jmb s ARG 33 Ca -0.05 -2.71 -0.12 0.00 -2.50 0.00 0.00 55.73 50.36 2jmb s ARG 33 Cb 0.13 -4.92 0.08 0.00 0.06 0.00 0.00 34.95 30.30 2jmb s ARG 33 CO 0.41 -1.62 1.17 -1.59 -2.50 0.00 0.00 175.30 171.17 2jmb s LYS 34 N 0.88 1.96 -1.06 5.12 0.00 -1.24 -2.70 119.74 122.69 2jmb s LYS 34 Ca 0.39 0.14 -0.01 0.00 0.00 0.00 0.00 55.97 56.49 2jmb s LYS 34 Cb -0.05 -1.95 0.01 0.00 0.00 0.00 0.00 37.83 35.84 2jmb s LYS 34 CO -0.03 -1.60 0.08 0.43 0.00 0.00 0.00 175.35 174.23 2jmb n SER 35 N -3.33 -3.85 -0.21 0.03 7.64 -1.09 -4.82 113.62 107.99 2jmb n SER 35 Ca 0.08 0.12 0.01 0.00 1.01 0.00 0.00 58.87 60.09 2jmb n SER 35 Cb 0.61 -3.26 0.12 0.00 -1.01 0.00 0.00 64.21 60.67 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 0.82 -2.54 -0.43 0.00 -1.53 -3.44 119.26 113.13 2jmb h ALA 36 Ca -0.31 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 2jmb h ALA 36 Cb 1.22 0.08 -0.18 0.00 0.00 0.00 0.00 17.79 18.90 2jmb h ALA 36 CO 0.36 -0.21 -0.28 0.71 0.00 0.00 0.00 179.25 179.84 2jmb s TYR 37 N -6.08 -0.12 -0.05 0.00 1.51 -1.25 -5.07 117.35 106.29 2jmb s TYR 37 Ca -0.13 0.09 -0.29 0.00 -1.01 0.00 0.00 57.07 55.73 2jmb s TYR 37 Cb 0.18 0.08 0.07 0.00 -0.11 0.00 0.00 41.96 42.17 2jmb s TYR 37 CO 0.75 -0.44 0.64 -0.65 -1.11 0.00 0.00 175.55 174.74 2jmb s GLN 38 N -1.94 1.02 0.00 -0.62 -0.21 -1.26 -2.09 119.66 114.56 2jmb s GLN 38 Ca -0.09 0.22 0.00 0.00 0.02 0.00 0.00 55.36 55.51 2jmb s GLN 38 Cb -0.03 0.48 0.00 0.00 1.00 0.00 0.00 33.01 34.46 2jmb s GLN 38 CO 0.00 -0.31 0.00 0.41 -2.12 0.00 0.00 175.29 173.27 2jmb n GLY 39 N 0.97 1.46 3.42 3.09 0.00 -1.10 -4.60 105.19 108.42 2jmb n GLY 39 Ca -0.19 0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 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 3.82 1.24 0.11 1.61 3.03 -1.25 -3.21 118.95 124.30 2jmb s ARG 40 Ca 0.00 -0.96 0.03 0.00 2.03 0.00 0.00 55.73 56.83 2jmb s ARG 40 Cb 0.00 0.46 -0.04 0.00 -1.03 0.00 0.00 34.95 34.34 2jmb s ARG 40 CO 0.00 -0.50 -0.09 1.52 -1.13 0.00 0.00 175.30 175.10 2jmb s TYR 41 N -3.90 1.05 -0.12 5.89 1.13 -1.26 -0.87 117.35 119.28 2jmb s TYR 41 Ca 0.11 -0.74 0.03 0.00 -1.41 0.00 0.00 57.07 55.07 2jmb s TYR 41 Cb 0.01 -0.57 0.00 0.00 -1.10 0.00 0.00 41.96 40.30 2jmb s TYR 41 CO -0.03 -0.02 -0.23 -2.00 -2.51 0.00 0.00 175.55 170.76 2jmb s GLU 42 N -3.23 3.04 -0.22 -3.49 2.12 -0.92 -4.34 118.70 111.67 2jmb s GLU 42 Ca 0.09 -0.86 -0.08 0.00 0.36 0.00 0.00 54.97 54.47 2jmb s GLU 42 Cb 0.00 -2.38 -0.04 0.00 0.26 0.00 0.00 34.13 31.97 2jmb s GLU 42 CO -0.01 0.08 0.10 0.08 -0.54 0.00 0.00 175.26 174.97 2jmb s VAL 43 N 0.58 4.89 -0.38 3.70 1.01 -1.26 -2.77 120.40 126.17 2jmb s VAL 43 Ca -0.13 0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.88 2jmb s VAL 43 Cb -0.17 -3.25 0.14 0.00 0.00 0.00 0.00 36.38 33.10 2jmb s VAL 43 CO 0.03 0.39 0.24 -0.13 0.00 0.00 0.00 175.10 175.63 2jmb s ARG 44 N 0.88 0.79 -0.99 2.72 0.52 0.27 -4.82 118.95 118.33 2jmb s ARG 44 Ca 0.05 -1.61 -0.04 0.00 -0.52 0.00 0.00 55.73 53.61 2jmb s ARG 44 Cb -0.13 -1.59 0.00 0.00 0.52 0.00 0.00 34.95 33.75 2jmb s ARG 44 CO 0.03 -1.22 0.85 0.41 0.02 0.00 0.00 175.30 175.38 2jmb n GLY 45 N 3.75 -0.18 2.50 -3.53 0.00 -1.26 -2.26 105.19 104.21 2jmb n GLY 45 Ca 0.13 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -4.01 0.00 -2.69 4.61 0.00 -1.26 -4.98 120.51 112.18 2jmb n ALA 46 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.98 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 -2.49 3.42 0.02 0.00 4.02 -0.96 0.36 115.29 119.66 2jmb s HIS 47 Ca 0.00 0.70 -0.00 0.00 1.02 0.00 0.00 55.06 56.77 2jmb s HIS 47 Cb 0.00 -2.52 -0.02 0.00 -1.02 0.00 0.00 32.58 29.02 2jmb s HIS 47 CO 0.00 0.06 -0.02 -1.50 1.02 0.00 0.00 174.74 174.30 2jmb s ILE 48 N 1.06 0.12 0.03 0.60 -1.16 -0.94 0.95 121.20 121.84 2jmb s ILE 48 Ca 0.21 -1.00 0.03 0.00 -0.51 0.00 0.00 60.65 59.38 2jmb s ILE 48 Cb -0.15 -0.40 -0.02 0.00 0.61 0.00 0.00 42.46 42.51 2jmb s ILE 48 CO 0.08 -0.55 -0.10 0.20 -2.81 0.00 0.00 174.94 171.76 2jmb s ASN 49 N -1.61 1.13 -0.31 4.50 0.01 -1.11 0.16 114.94 117.70 2jmb s ASN 49 Ca -0.13 -0.37 -0.18 0.00 -0.71 0.00 0.00 52.86 51.46 2jmb s ASN 49 Cb -0.08 -0.06 -0.02 0.00 0.41 0.00 0.00 41.25 41.51 2jmb s ASN 49 CO -0.02 -0.02 0.50 -0.31 -1.51 0.00 0.00 177.10 175.73 2jmb s TYR 50 N -0.78 3.22 -0.65 2.20 2.02 -0.11 -2.17 117.35 121.07 2jmb s TYR 50 Ca -0.02 0.36 -0.06 0.00 -0.37 0.00 0.00 57.07 56.99 2jmb s TYR 50 Cb -0.07 -2.81 0.17 0.00 -0.40 0.00 0.00 41.96 38.85 2jmb s TYR 50 CO 0.01 -0.42 0.50 -0.46 -1.57 0.00 0.00 175.55 173.61 2jmb s TRP 51 N 2.33 3.50 0.65 2.71 -0.00 -0.05 0.13 118.94 128.20 2jmb s TRP 51 Ca 0.19 -2.49 -0.15 0.00 -0.00 0.00 0.00 56.10 53.66 2jmb s TRP 51 Cb -0.16 -3.36 -0.01 0.00 -0.00 0.00 0.00 33.47 29.94 2jmb s TRP 51 CO 0.12 -0.89 1.09 -0.51 -0.00 0.00 0.00 176.95 176.76 2jmb s ASP 52 N 1.19 5.30 0.09 5.86 1.11 0.29 -3.92 116.67 126.59 2jmb s ASP 52 Ca 0.16 1.92 0.26 0.00 0.18 0.00 0.00 52.55 55.07 2jmb s ASP 52 Cb -0.18 -2.54 0.67 0.00 1.07 0.00 0.00 42.92 41.93 2jmb s ASP 52 CO -0.04 -1.50 1.57 0.47 1.18 0.00 0.00 175.17 176.85 2jmb n ASP 53 N -2.38 0.53 -1.42 0.27 9.92 -1.26 -3.74 116.55 118.48 2jmb n ASP 53 Ca 0.10 0.21 -0.03 0.00 -0.53 0.00 0.00 54.79 54.54 2jmb n ASP 53 Cb 0.52 -0.16 0.17 0.00 -0.64 0.00 0.00 41.12 41.01 2jmb n ASP 53 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 2jmb n THR 54 N -1.88 1.77 -1.13 -3.53 5.66 -1.26 -4.85 114.28 109.07 2jmb n THR 54 Ca 0.05 -0.86 0.00 0.00 -3.05 0.00 0.00 64.05 60.19 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 0.45 3.53 1.09 0.00 -1.24 -5.06 105.19 104.00 2jmb n GLY 55 Ca 0.22 -0.96 -0.25 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.00 2.39 -0.24 1.61 2.19 -1.25 -5.02 117.98 115.66 2jmb s PHE 56 Ca 0.00 -0.44 -0.24 0.00 0.33 0.00 0.00 56.93 56.59 2jmb s PHE 56 Cb 0.00 -1.27 0.06 0.00 -1.31 0.00 0.00 43.02 40.50 2jmb s PHE 56 CO 0.00 0.62 0.67 0.95 1.83 0.00 0.00 175.22 179.28 2jmb s THR 57 N -2.57 0.00 0.44 0.12 -4.23 -1.25 -0.55 115.64 107.60 2jmb s THR 57 Ca 0.32 -0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.86 2jmb s THR 57 Cb -0.00 -0.93 -0.02 0.00 1.34 0.00 0.00 72.50 72.89 2jmb s THR 57 CO 0.16 -0.00 0.09 0.00 -0.54 0.00 0.00 174.62 174.34 2jmb s ALA 58 N 0.24 3.29 -0.03 3.99 0.00 0.34 -4.92 121.76 124.67 2jmb s ALA 58 Ca -0.01 -0.97 -0.10 0.00 0.00 0.00 0.00 51.96 50.88 2jmb s ALA 58 Cb -0.04 0.54 0.01 0.00 0.00 0.00 0.00 23.12 23.63 2jmb s ALA 58 CO 0.02 -0.25 0.22 0.16 0.00 0.00 0.00 175.76 175.91 2jmb s ASP 59 N -3.69 -0.13 0.02 0.00 -4.77 -1.26 -0.94 116.67 105.91 2jmb s ASP 59 Ca 0.18 0.10 -0.01 0.00 -3.30 0.00 0.00 52.55 49.53 2jmb s ASP 59 Cb 0.02 0.33 0.00 0.00 -1.09 0.00 0.00 42.92 42.18 2jmb s ASP 59 CO 0.11 -0.30 0.04 0.61 0.70 0.00 0.00 175.17 176.33 2jmb n GLY 60 N 1.88 2.17 3.51 2.12 0.00 0.42 -2.69 105.19 112.60 2jmb n GLY 60 Ca -0.19 -1.10 -0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.12 -0.65 -0.29 1.61 -4.77 0.29 -2.22 116.67 109.52 2jmb s ASP 61 Ca 0.01 0.93 -0.28 0.00 -3.30 0.00 0.00 52.55 49.91 2jmb s ASP 61 Cb -0.00 1.61 -0.03 0.00 -1.09 0.00 0.00 42.92 43.41 2jmb s ASP 61 CO 0.01 -0.14 1.91 -0.36 0.70 0.00 0.00 175.17 177.29 2jmb s PHE 62 N 2.18 1.64 -1.62 2.11 0.08 0.16 -2.29 117.98 120.23 2jmb s PHE 62 Ca -0.05 0.58 0.26 0.00 0.12 0.00 0.00 56.93 57.84 2jmb s PHE 62 Cb -0.06 -4.07 0.63 0.00 -0.57 0.00 0.00 43.02 38.95 2jmb s PHE 62 CO -0.17 -3.30 1.49 1.33 -0.10 0.00 0.00 175.22 174.47 2jmb n VAL 63 N 7.44 0.00 -3.80 -0.44 0.24 -1.23 -4.91 118.33 115.64 2jmb n VAL 63 Ca 0.25 -0.11 -0.04 0.00 -2.04 0.00 0.00 64.34 62.39 2jmb n VAL 63 Cb 0.46 0.45 -0.00 0.00 -1.47 0.00 0.00 33.84 33.28 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 -2.60 -0.11 0.50 -1.34 0.15 -1.21 -4.92 113.70 104.17 2jmb s SER 64 Ca 0.21 -0.57 0.29 0.00 0.70 0.00 0.00 55.95 56.58 2jmb s SER 64 Cb 0.19 0.54 1.24 0.00 -1.71 0.00 0.00 66.02 66.27 2jmb s SER 64 CO 0.56 -1.03 1.95 0.00 1.20 0.00 0.00 173.24 175.92 2jmb h ALA 65 N 2.00 1.05 0.00 5.45 0.00 -2.03 -3.20 119.26 122.54 2jmb h ALA 65 Ca -0.26 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2jmb h ALA 65 Cb 1.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2jmb h ALA 65 CO 0.30 0.14 0.00 0.09 0.00 0.00 0.00 179.25 179.78 2jmb n ASN 66 N -3.31 0.74 -4.62 0.00 5.03 -1.26 -4.97 115.26 106.87 2jmb n ASN 66 Ca -0.00 -1.10 -0.30 0.00 0.87 0.00 0.00 54.58 54.05 2jmb n ASN 66 Cb 0.34 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 39.00 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 -0.10 2.33 0.02 3.52 2.12 -1.21 -1.16 118.70 124.22 2jmb s GLU 67 Ca 0.00 -0.92 0.03 0.00 0.36 0.00 0.00 54.97 54.44 2jmb s GLU 67 Cb 0.00 -2.41 -0.01 0.00 0.26 0.00 0.00 34.13 31.96 2jmb s GLU 67 CO 0.00 0.53 -0.09 -1.17 -0.54 0.00 0.00 175.26 173.99 2jmb s LEU 68 N -2.12 2.12 -0.25 2.70 1.98 0.15 -3.34 118.68 119.91 2jmb s LEU 68 Ca 0.22 -0.32 0.01 0.00 -2.89 0.00 0.00 54.13 51.15 2jmb s LEU 68 Cb -0.11 -0.36 0.07 0.00 0.66 0.00 0.00 46.19 46.44 2jmb s LEU 68 CO 0.14 -0.01 -0.02 -1.00 -1.89 0.00 0.00 176.35 173.58 2jmb s HIS 69 N -0.66 2.35 -0.05 5.38 3.76 -0.97 -0.96 115.29 124.15 2jmb s HIS 69 Ca -0.01 -1.81 -0.06 0.00 -0.15 0.00 0.00 55.06 53.03 2jmb s HIS 69 Cb -0.06 -1.68 0.01 0.00 1.11 0.00 0.00 32.58 31.96 2jmb s HIS 69 CO 0.00 -0.79 0.16 -3.38 -0.85 0.00 0.00 174.74 169.88 2jmb s HIS 70 N 1.41 -0.14 -1.65 1.40 -3.43 -1.15 0.11 115.29 111.83 2jmb s HIS 70 Ca -0.02 0.34 0.00 0.00 -0.80 0.00 0.00 55.06 54.58 2jmb s HIS 70 Cb -0.19 0.04 0.00 0.00 -1.43 0.00 0.00 32.58 31.01 2jmb s HIS 70 CO -0.09 -0.12 0.00 0.41 -2.00 0.00 0.00 174.74 172.95 2jmb n GLY 71 N 2.75 1.48 1.98 -1.38 0.00 -1.09 -0.41 105.19 108.51 2jmb n GLY 71 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.22 0.39 3.73 -0.02 0.00 -1.26 -5.05 105.19 102.76 2jmb n GLY 72 Ca -0.16 -1.09 -0.27 0.00 0.00 0.00 0.00 46.02 44.51 2jmb n GLY 72 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2jmb s MET 73 N -1.98 2.16 -0.30 1.61 -2.45 0.45 -5.12 119.30 113.67 2jmb s MET 73 Ca 0.00 -1.99 0.01 0.00 -1.25 0.00 0.00 55.69 52.46 2jmb s MET 73 Cb 0.00 -1.86 0.06 0.00 1.25 0.00 0.00 34.83 34.29 2jmb s MET 73 CO 0.00 -0.18 -0.03 0.99 1.05 0.00 0.00 175.02 176.86 2jmb s THR 74 N -2.68 2.57 -0.23 10.11 2.01 -1.26 -2.96 115.64 123.20 2jmb s THR 74 Ca 0.35 -1.67 -0.07 0.00 0.31 0.00 0.00 61.69 60.61 2jmb s THR 74 Cb 0.04 -2.57 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 2jmb s THR 74 CO 0.19 -0.18 0.06 -0.36 -0.69 0.00 0.00 174.62 173.64 2jmb s PHE 75 N 1.13 3.10 0.01 4.92 0.08 -0.13 -3.57 117.98 123.53 2jmb s PHE 75 Ca -0.04 -0.35 -0.02 0.00 0.12 0.00 0.00 56.93 56.64 2jmb s PHE 75 Cb -0.20 -2.20 -0.04 0.00 -0.57 0.00 0.00 43.02 40.01 2jmb s PHE 75 CO -0.04 -0.27 0.18 0.71 -0.10 0.00 0.00 175.22 175.70 2jmb s TYR 76 N 1.38 3.52 0.23 0.36 1.51 0.16 0.30 117.35 124.81 2jmb s TYR 76 Ca 0.05 0.32 -0.30 0.00 -1.01 0.00 0.00 57.07 56.13 2jmb s TYR 76 Cb -0.15 -1.80 -0.09 0.00 -0.11 0.00 0.00 41.96 39.81 2jmb s TYR 76 CO 0.03 0.63 1.16 0.50 -1.11 0.00 0.00 175.55 176.76 2jmb s ARG 77 N -2.08 4.54 0.00 -0.62 6.06 -0.31 0.04 118.95 126.59 2jmb s ARG 77 Ca 0.29 1.87 0.00 0.00 -2.50 0.00 0.00 55.73 55.39 2jmb s ARG 77 Cb -0.13 -3.21 0.00 0.00 0.06 0.00 0.00 34.95 31.68 2jmb s ARG 77 CO 0.21 0.03 0.00 -1.91 -2.50 0.00 0.00 175.30 171.13 2jmb n GLU 78 N 1.84 0.00 -0.62 5.12 0.00 0.71 -4.89 120.64 122.80 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 0.45 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.89 2jmb n GLU 78 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76