#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 3.19 -0.33 2.12 1.11 -1.26 -4.92 119.66 119.57 2jmb s GLN 2 Ca 0.00 -0.93 0.01 0.00 0.01 0.00 0.00 55.36 54.45 2jmb s GLN 2 Cb 0.00 -2.77 0.08 0.00 -1.01 0.00 0.00 33.01 29.32 2jmb s GLN 2 CO 0.00 0.32 0.05 -1.01 0.01 0.00 0.00 175.29 174.66 2jmb s HIS 3 N -2.08 3.51 1.02 0.91 3.76 -1.26 -5.01 115.29 116.14 2jmb s HIS 3 Ca 0.37 -2.45 -0.16 0.00 -0.15 0.00 0.00 55.06 52.67 2jmb s HIS 3 Cb -0.09 -2.63 0.05 0.00 1.11 0.00 0.00 32.58 31.03 2jmb s HIS 3 CO 0.28 -0.91 0.17 -2.30 -0.85 0.00 0.00 174.74 171.13 2jmb n PRO 4 N 4.46 -0.82 0.00 8.40 -0.02 -1.26 -4.64 135.00 141.13 2jmb n PRO 4 Ca -0.05 -0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.22 2jmb n PRO 4 Cb 0.42 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 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 -3.90 -0.23 -1.81 6.00 4.02 -1.26 -4.94 117.16 115.04 2jmb n TYR 5 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 2jmb n TYR 5 Cb 0.58 0.20 0.00 0.00 -0.02 0.00 0.00 39.34 40.10 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 -1.91 -6.12 0.00 -0.72 0.31 -1.25 -5.05 118.33 103.58 2jmb n VAL 6 Ca 0.00 2.61 0.00 0.00 -0.01 0.00 0.00 64.34 66.94 2jmb n VAL 6 Cb 0.00 -3.51 0.00 0.00 -0.91 0.00 0.00 33.84 29.42 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 0.57 4.07 3.40 2.92 0.00 -0.51 -4.87 105.19 110.77 2jmb n GLY 7 Ca 0.00 -0.58 -0.44 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.50 4.78 -0.50 -0.61 1.01 -1.26 0.13 121.20 123.24 2jmb s ILE 8 Ca 0.00 -1.16 -0.25 0.00 0.00 0.00 0.00 60.65 59.24 2jmb s ILE 8 Cb 0.00 -4.60 0.03 0.00 0.01 0.00 0.00 42.46 37.90 2jmb s ILE 8 CO 0.00 -1.28 0.92 0.26 0.00 0.00 0.00 174.94 174.85 2jmb s TRP 9 N 2.71 2.86 0.19 3.97 0.52 0.32 0.25 118.94 129.75 2jmb s TRP 9 Ca 0.19 0.18 0.09 0.00 0.02 0.00 0.00 56.10 56.58 2jmb s TRP 9 Cb -0.17 -4.00 -0.04 0.00 -1.15 0.00 0.00 33.47 28.11 2jmb s TRP 9 CO 0.02 -1.21 -0.06 0.08 0.02 0.00 0.00 176.95 175.79 2jmb s VAL 10 N 3.82 3.34 0.94 4.03 1.01 0.96 -0.25 120.40 134.27 2jmb s VAL 10 Ca 0.33 -1.63 -0.16 0.00 0.00 0.00 0.00 61.98 60.53 2jmb s VAL 10 Cb -0.11 -2.68 0.24 0.00 0.00 0.00 0.00 36.38 33.83 2jmb s VAL 10 CO 0.23 -0.14 0.73 0.35 0.00 0.00 0.00 175.10 176.27 2jmb n THR 11 N -0.10 0.00 0.18 3.92 -2.24 -1.13 0.11 114.28 115.03 2jmb n THR 11 Ca -0.10 -0.22 0.12 0.00 -2.27 0.00 0.00 64.05 61.57 2jmb n THR 11 Cb 0.56 -1.01 0.12 0.00 -2.10 0.00 0.00 70.33 67.90 2jmb n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jmb h ALA 12 N -2.76 0.84 0.00 6.98 0.00 -1.94 -3.33 119.26 119.05 2jmb h ALA 12 Ca -0.29 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.45 2jmb h ALA 12 Cb 0.92 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 2jmb h ALA 12 CO 0.18 0.01 -1.99 -0.25 0.00 0.00 0.00 179.25 177.21 2jmb n ASP 13 N -2.97 0.90 0.00 0.00 9.92 -1.26 -5.01 116.55 118.13 2jmb n ASP 13 Ca 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.29 2jmb n ASP 13 Cb 0.54 1.34 0.00 0.00 -0.64 0.00 0.00 41.12 42.36 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 1.74 1.02 0.11 0.44 0.00 -1.25 -4.97 105.19 102.28 2jmb n GLY 14 Ca -0.16 -0.45 -0.02 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.98 1.61 -0.00 -1.95 -3.46 114.38 106.60 2jmb h ARG 15 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 59.98 59.85 2jmb h ARG 15 Cb 0.27 0.00 -0.17 0.00 -0.00 0.00 0.00 29.97 30.06 2jmb h ARG 15 CO 0.00 0.72 -0.60 0.96 -0.00 0.00 0.00 179.97 181.05 2jmb s ILE 16 N -3.01 0.16 -0.01 0.08 -5.25 -1.26 -3.38 121.20 108.52 2jmb s ILE 16 Ca 0.01 -1.30 0.00 0.00 -0.99 0.00 0.00 60.65 58.38 2jmb s ILE 16 Cb 0.10 -1.00 0.00 0.00 2.95 0.00 0.00 42.46 44.51 2jmb s ILE 16 CO 0.77 -0.72 -0.01 -0.60 -1.79 0.00 0.00 174.94 172.60 2jmb s ARG 17 N -2.89 0.14 -0.22 0.37 3.52 -1.03 -2.82 118.95 116.02 2jmb s ARG 17 Ca -0.03 -0.03 0.01 0.00 -0.13 0.00 0.00 55.73 55.56 2jmb s ARG 17 Cb 0.00 -0.18 0.05 0.00 -1.56 0.00 0.00 34.95 33.27 2jmb s ARG 17 CO -0.06 0.00 -0.08 -1.14 -0.81 0.00 0.00 175.30 173.21 2jmb s GLN 18 N 0.16 1.88 -0.17 5.12 0.74 0.66 0.10 119.66 128.15 2jmb s GLN 18 Ca -0.01 -0.98 -0.20 0.00 0.05 0.00 0.00 55.36 54.22 2jmb s GLN 18 Cb -0.03 -2.56 -0.03 0.00 1.10 0.00 0.00 33.01 31.49 2jmb s GLN 18 CO -0.00 -0.52 0.58 -2.00 -0.55 0.00 0.00 175.29 172.79 2jmb s GLU 19 N 1.35 4.24 -0.37 1.67 2.12 0.27 0.12 118.70 128.10 2jmb s GLU 19 Ca -0.04 0.55 -0.19 0.00 0.36 0.00 0.00 54.97 55.65 2jmb s GLU 19 Cb -0.18 -3.54 0.01 0.00 0.26 0.00 0.00 34.13 30.68 2jmb s GLU 19 CO -0.07 -0.13 0.57 -0.51 -0.54 0.00 0.00 175.26 174.59 2jmb s LEU 20 N 1.54 4.38 0.77 2.70 1.43 0.34 0.47 118.68 130.31 2jmb s LEU 20 Ca 0.28 -0.08 -0.12 0.00 -1.03 0.00 0.00 54.13 53.18 2jmb s LEU 20 Cb -0.16 -2.66 0.06 0.00 0.03 0.00 0.00 46.19 43.46 2jmb s LEU 20 CO 0.11 -0.58 1.12 -0.76 0.23 0.00 0.00 176.35 176.46 2jmb s LEU 21 N 2.56 3.11 0.56 1.79 1.02 0.38 -1.43 118.68 126.66 2jmb s LEU 21 Ca 0.21 1.99 0.37 0.00 0.02 0.00 0.00 54.13 56.72 2jmb s LEU 21 Cb -0.15 -4.54 1.85 0.00 0.02 0.00 0.00 46.19 43.37 2jmb s LEU 21 CO 0.15 -2.18 2.12 -0.65 0.02 0.00 0.00 176.35 175.80 2jmb h PRO 22 N -0.93 0.00 -0.74 1.29 0.11 -1.96 -1.81 132.00 127.95 2jmb h PRO 22 Ca -0.45 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.57 2jmb h PRO 22 Cb 1.25 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.30 2jmb h PRO 22 CO 0.50 0.00 0.12 0.09 -0.21 0.00 0.00 178.00 178.50 2jmb n ASN 23 N -2.90 4.51 -2.41 -2.05 3.02 -1.26 -4.89 115.26 109.28 2jmb n ASN 23 Ca -0.01 -2.86 -0.09 0.00 -0.03 0.00 0.00 54.58 51.58 2jmb n ASN 23 Cb 0.14 -0.68 0.05 0.00 -0.61 0.00 0.00 39.78 38.68 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 0.20 -0.09 3.32 7.41 0.00 -0.69 -4.84 105.19 110.50 2jmb n GLY 24 Ca 0.28 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 46.05 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 -4.47 1.78 0.04 1.61 1.81 -1.18 -4.36 118.95 114.17 2jmb s ARG 25 Ca 0.08 -2.04 0.01 0.00 -1.72 0.00 0.00 55.73 52.06 2jmb s ARG 25 Cb -0.01 0.20 -0.03 0.00 -0.45 0.00 0.00 34.95 34.66 2jmb s ARG 25 CO 0.41 -0.63 -0.05 1.52 -0.68 0.00 0.00 175.30 175.88 2jmb s TYR 26 N -3.42 0.53 -0.24 -0.53 -0.85 -1.22 0.14 117.35 111.76 2jmb s TYR 26 Ca 0.38 -0.65 -0.03 0.00 -0.52 0.00 0.00 57.07 56.26 2jmb s TYR 26 Cb 0.02 -0.34 0.13 0.00 0.38 0.00 0.00 41.96 42.16 2jmb s TYR 26 CO 0.26 -0.17 0.37 -0.51 -1.52 0.00 0.00 175.55 173.97 2jmb s ASP 27 N -1.92 0.26 -0.15 -0.18 1.11 0.18 -2.69 116.67 113.28 2jmb s ASP 27 Ca -0.07 0.25 -0.06 0.00 0.18 0.00 0.00 52.55 52.85 2jmb s ASP 27 Cb -0.05 1.10 -0.04 0.00 1.07 0.00 0.00 42.92 44.99 2jmb s ASP 27 CO -0.02 -0.30 0.08 -0.70 1.18 0.00 0.00 175.17 175.41 2jmb s GLU 28 N 2.54 3.64 -0.29 8.23 2.12 -0.81 0.94 118.70 135.07 2jmb s GLU 28 Ca 0.12 -0.28 0.03 0.00 0.36 0.00 0.00 54.97 55.20 2jmb s GLU 28 Cb -0.15 -3.14 0.08 0.00 0.26 0.00 0.00 34.13 31.17 2jmb s GLU 28 CO -0.15 0.52 -0.03 0.00 -0.54 0.00 0.00 175.26 175.05 2jmb s ALA 29 N -0.30 2.61 -0.38 6.30 0.00 0.28 -2.08 121.76 128.18 2jmb s ALA 29 Ca 0.09 -2.05 -0.14 0.00 0.00 0.00 0.00 51.96 49.86 2jmb s ALA 29 Cb -0.12 -1.74 0.01 0.00 0.00 0.00 0.00 23.12 21.27 2jmb s ALA 29 CO 0.01 -1.43 0.27 1.03 0.00 0.00 0.00 175.76 175.65 2jmb s ARG 30 N 1.07 3.14 2.60 0.00 0.52 -0.98 -2.46 118.95 122.83 2jmb s ARG 30 Ca 0.01 -0.89 0.00 0.00 -0.52 0.00 0.00 55.73 54.32 2jmb s ARG 30 Cb -0.19 -3.91 0.00 0.00 0.52 0.00 0.00 34.95 31.37 2jmb s ARG 30 CO -0.07 -0.64 0.00 0.41 0.02 0.00 0.00 175.30 175.02 2jmb n GLY 31 N 5.13 1.17 0.34 -3.53 0.00 -1.22 -1.48 105.19 105.60 2jmb n GLY 31 Ca -0.12 -0.56 0.21 0.00 0.00 0.00 0.00 46.02 45.55 2jmb n GLY 31 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2jmb h ASN 32 N 5.52 0.00 -2.86 1.61 -1.07 -1.95 -3.29 115.58 113.54 2jmb h ASN 32 Ca 0.00 0.00 -0.77 0.00 0.07 0.00 0.00 56.30 55.60 2jmb h ASN 32 Cb 0.00 0.00 -0.23 0.00 -2.07 0.00 0.00 38.32 36.02 2jmb h ASN 32 CO 0.00 0.00 0.90 -0.60 0.07 0.00 0.00 177.43 177.80 2jmb s ARG 33 N -4.19 4.13 0.76 4.14 6.06 -0.55 -5.02 118.95 124.27 2jmb s ARG 33 Ca -0.05 -2.87 -0.10 0.00 -2.50 0.00 0.00 55.73 50.21 2jmb s ARG 33 Cb 0.12 -4.81 0.06 0.00 0.06 0.00 0.00 34.95 30.39 2jmb s ARG 33 CO 0.40 -1.51 1.11 -1.59 -2.50 0.00 0.00 175.30 171.20 2jmb s LYS 34 N 0.23 2.16 -1.10 5.12 0.00 -1.24 -2.32 119.74 122.59 2jmb s LYS 34 Ca 0.37 0.02 -0.00 0.00 0.00 0.00 0.00 55.97 56.35 2jmb s LYS 34 Cb -0.06 -2.04 0.00 0.00 0.00 0.00 0.00 37.83 35.73 2jmb s LYS 34 CO -0.04 -1.39 0.02 0.43 0.00 0.00 0.00 175.35 174.37 2jmb n SER 35 N -3.13 -4.01 -0.23 0.03 7.64 -1.05 -4.83 113.62 108.04 2jmb n SER 35 Ca 0.08 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.12 2jmb n SER 35 Cb 0.60 -3.40 0.12 0.00 -1.01 0.00 0.00 64.21 60.52 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 0.90 -2.69 -0.43 0.00 -1.54 -3.44 119.26 113.06 2jmb h ALA 36 Ca -0.31 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 2jmb h ALA 36 Cb 1.23 -0.05 -0.23 0.00 0.00 0.00 0.00 17.79 18.74 2jmb h ALA 36 CO 0.36 -0.06 -0.23 0.71 0.00 0.00 0.00 179.25 180.04 2jmb s TYR 37 N -6.08 -0.40 -0.03 0.00 1.51 -1.25 -5.06 117.35 106.04 2jmb s TYR 37 Ca -0.13 0.94 -0.19 0.00 -1.01 0.00 0.00 57.07 56.68 2jmb s TYR 37 Cb 0.17 0.15 0.04 0.00 -0.11 0.00 0.00 41.96 42.21 2jmb s TYR 37 CO 0.76 -0.26 0.41 -0.65 -1.11 0.00 0.00 175.55 174.70 2jmb s GLN 38 N -0.11 0.77 0.00 -0.62 1.11 -1.26 -1.92 119.66 117.64 2jmb s GLN 38 Ca -0.03 -0.06 0.00 0.00 0.01 0.00 0.00 55.36 55.29 2jmb s GLN 38 Cb -0.03 0.35 0.00 0.00 -1.01 0.00 0.00 33.01 32.32 2jmb s GLN 38 CO 0.02 -0.22 0.00 0.41 0.01 0.00 0.00 175.29 175.51 2jmb n GLY 39 N 1.21 1.10 3.44 3.09 0.00 -1.10 -4.47 105.19 108.47 2jmb n GLY 39 Ca -0.21 0.37 -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 3.26 1.27 0.04 1.61 1.70 -1.26 -3.45 118.95 122.13 2jmb s ARG 40 Ca 0.00 -0.87 0.00 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 -0.52 -0.04 1.52 -1.08 0.00 0.00 175.30 175.18 2jmb s TYR 41 N -3.87 0.49 -0.12 5.89 1.13 -1.26 -2.04 117.35 117.58 2jmb s TYR 41 Ca 0.09 -0.77 0.03 0.00 -1.41 0.00 0.00 57.07 55.01 2jmb s TYR 41 Cb 0.00 -0.33 0.01 0.00 -1.10 0.00 0.00 41.96 40.54 2jmb s TYR 41 CO -0.05 -0.24 -0.22 -2.00 -2.51 0.00 0.00 175.55 170.53 2jmb s GLU 42 N -2.68 2.97 -0.17 -3.49 -6.30 -0.99 -4.25 118.70 103.79 2jmb s GLU 42 Ca -0.03 -0.85 -0.08 0.00 -2.50 0.00 0.00 54.97 51.51 2jmb s GLU 42 Cb -0.01 -2.33 -0.04 0.00 0.00 0.00 0.00 34.13 31.74 2jmb s GLU 42 CO -0.05 0.08 0.09 0.08 0.02 0.00 0.00 175.26 175.48 2jmb s VAL 43 N 0.60 5.05 -0.41 3.70 1.01 -1.26 -2.58 120.40 126.51 2jmb s VAL 43 Ca -0.13 0.05 0.03 0.00 0.00 0.00 0.00 61.98 61.93 2jmb s VAL 43 Cb -0.17 -3.26 0.16 0.00 0.00 0.00 0.00 36.38 33.11 2jmb s VAL 43 CO 0.03 0.49 0.31 -0.60 0.00 0.00 0.00 175.10 175.32 2jmb s ARG 44 N 0.09 0.89 -0.75 2.72 3.52 0.34 -4.84 118.95 120.92 2jmb s ARG 44 Ca 0.07 -1.94 -0.03 0.00 -0.13 0.00 0.00 55.73 53.70 2jmb s ARG 44 Cb -0.12 -1.51 0.00 0.00 -1.56 0.00 0.00 34.95 31.76 2jmb s ARG 44 CO 0.00 -1.32 0.65 0.41 -0.81 0.00 0.00 175.30 174.22 2jmb n GLY 45 N 3.18 0.03 2.38 8.12 0.00 -1.26 -2.67 105.19 114.97 2jmb n GLY 45 Ca 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.47 0.00 -2.68 4.61 0.00 -1.26 -4.96 120.51 112.76 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 0.56 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.94 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 -2.37 3.40 0.00 0.00 4.02 -1.09 0.85 115.29 120.11 2jmb s HIS 47 Ca 0.00 0.67 -0.03 0.00 1.02 0.00 0.00 55.06 56.73 2jmb s HIS 47 Cb 0.00 -2.54 -0.01 0.00 -1.02 0.00 0.00 32.58 29.01 2jmb s HIS 47 CO 0.00 0.01 0.04 -1.50 1.02 0.00 0.00 174.74 174.32 2jmb s ILE 48 N 1.22 0.07 0.37 0.60 -1.16 -1.04 0.13 121.20 121.39 2jmb s ILE 48 Ca 0.21 -0.62 0.09 0.00 -0.51 0.00 0.00 60.65 59.82 2jmb s ILE 48 Cb -0.15 -0.27 -0.06 0.00 0.61 0.00 0.00 42.46 42.59 2jmb s ILE 48 CO 0.08 -0.34 -0.01 0.21 -2.81 0.00 0.00 174.94 172.07 2jmb s ASN 49 N -1.06 3.95 -0.20 4.50 3.84 -1.06 0.14 114.94 125.05 2jmb s ASN 49 Ca -0.12 -1.18 0.01 0.00 0.21 0.00 0.00 52.86 51.78 2jmb s ASN 49 Cb -0.07 -0.42 0.05 0.00 -0.55 0.00 0.00 41.25 40.26 2jmb s ASN 49 CO 0.00 -0.31 -0.08 -0.31 -2.79 0.00 0.00 177.10 173.61 2jmb s TYR 50 N -2.61 2.33 -0.66 0.43 2.02 0.56 -2.34 117.35 117.08 2jmb s TYR 50 Ca 0.35 -1.57 -0.06 0.00 -0.37 0.00 0.00 57.07 55.41 2jmb s TYR 50 Cb 0.04 -1.59 0.17 0.00 -0.40 0.00 0.00 41.96 40.18 2jmb s TYR 50 CO 0.18 -0.74 0.51 -0.46 -1.57 0.00 0.00 175.55 173.48 2jmb s TRP 51 N 1.42 3.51 0.83 2.71 -0.00 -0.86 0.49 118.94 127.04 2jmb s TRP 51 Ca -0.02 -2.45 -0.10 0.00 -0.00 0.00 0.00 56.10 53.52 2jmb s TRP 51 Cb -0.17 -3.38 0.09 0.00 -0.00 0.00 0.00 33.47 30.01 2jmb s TRP 51 CO -0.08 -0.89 1.11 -0.51 -0.00 0.00 0.00 176.95 176.58 2jmb s ASP 52 N 1.26 3.86 0.09 5.86 1.11 0.29 -4.11 116.67 125.03 2jmb s ASP 52 Ca 0.16 1.96 0.26 0.00 0.18 0.00 0.00 52.55 55.11 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 -2.47 1.57 -0.90 1.18 0.00 0.00 175.17 174.51 2jmb n ASP 53 N -3.81 0.54 -1.56 0.27 5.75 -1.26 -3.73 116.55 112.75 2jmb n ASP 53 Ca 0.10 0.22 -0.06 0.00 -0.01 0.00 0.00 54.79 55.04 2jmb n ASP 53 Cb 0.53 -0.18 0.17 0.00 -1.03 0.00 0.00 41.12 40.61 2jmb n ASP 53 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 2jmb n THR 54 N -1.89 2.03 -1.63 2.12 5.66 -1.26 -4.85 114.28 114.47 2jmb n THR 54 Ca 0.05 -1.01 -0.02 0.00 -3.05 0.00 0.00 64.05 60.02 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 -0.10 0.39 3.60 1.09 0.00 -1.24 -5.05 105.19 103.88 2jmb n GLY 55 Ca 0.27 -0.88 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.10 2.51 -0.21 1.61 2.19 -1.25 -5.01 117.98 115.72 2jmb s PHE 56 Ca 0.00 -0.44 -0.27 0.00 0.33 0.00 0.00 56.93 56.55 2jmb s PHE 56 Cb 0.00 -1.43 0.08 0.00 -1.31 0.00 0.00 43.02 40.35 2jmb s PHE 56 CO 0.00 0.52 0.75 0.95 1.83 0.00 0.00 175.22 179.27 2jmb s THR 57 N -2.53 0.00 -0.12 0.12 -4.23 -1.25 -0.54 115.64 107.08 2jmb s THR 57 Ca 0.34 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.80 2jmb s THR 57 Cb 0.00 -1.00 0.06 0.00 1.34 0.00 0.00 72.50 72.90 2jmb s THR 57 CO 0.19 0.00 0.26 0.00 -0.54 0.00 0.00 174.62 174.52 2jmb s ALA 58 N -0.11 -0.56 0.28 3.99 0.00 0.18 -4.93 121.76 120.61 2jmb s ALA 58 Ca -0.03 0.97 -0.07 0.00 0.00 0.00 0.00 51.96 52.83 2jmb s ALA 58 Cb -0.04 -0.85 -0.06 0.00 0.00 0.00 0.00 23.12 22.18 2jmb s ALA 58 CO 0.03 -0.44 0.57 0.34 0.00 0.00 0.00 175.76 176.26 2jmb s ASP 59 N 1.90 6.51 0.00 0.00 2.15 -1.26 0.21 116.67 126.18 2jmb s ASP 59 Ca -0.03 0.82 0.00 0.00 0.43 0.00 0.00 52.55 53.77 2jmb s ASP 59 Cb -0.11 -2.19 0.00 0.00 -0.30 0.00 0.00 42.92 40.32 2jmb s ASP 59 CO -0.09 -0.17 0.00 0.61 -0.17 0.00 0.00 175.17 175.35 2jmb n GLY 60 N -0.71 2.87 3.64 2.66 0.00 0.38 -3.37 105.19 110.67 2jmb n GLY 60 Ca -0.01 -1.23 -0.04 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.72 -0.54 -0.44 1.61 -4.77 0.19 -2.49 116.67 109.52 2jmb s ASP 61 Ca 0.00 0.90 -0.29 0.00 -3.30 0.00 0.00 52.55 49.86 2jmb s ASP 61 Cb 0.00 1.16 0.02 0.00 -1.09 0.00 0.00 42.92 43.01 2jmb s ASP 61 CO 0.00 -0.14 1.28 -0.36 0.70 0.00 0.00 175.17 176.65 2jmb s PHE 62 N 1.14 2.60 -0.70 2.11 0.08 0.25 -1.65 117.98 121.80 2jmb s PHE 62 Ca -0.07 0.71 0.25 0.00 0.12 0.00 0.00 56.93 57.94 2jmb s PHE 62 Cb -0.04 -4.34 0.61 0.00 -0.57 0.00 0.00 43.02 38.67 2jmb s PHE 62 CO -0.14 -1.65 1.57 1.33 -0.10 0.00 0.00 175.22 176.24 2jmb n VAL 63 N 6.93 0.46 -3.89 -0.44 0.24 -1.23 -4.89 118.33 115.52 2jmb n VAL 63 Ca 0.14 -0.27 -0.11 0.00 -2.04 0.00 0.00 64.34 62.07 2jmb n VAL 63 Cb 0.48 -0.36 0.01 0.00 -1.47 0.00 0.00 33.84 32.50 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 -4.33 0.35 0.31 -1.34 0.15 -1.19 -4.96 113.70 102.68 2jmb s SER 64 Ca 0.09 -1.31 0.14 0.00 0.70 0.00 0.00 55.95 55.57 2jmb s SER 64 Cb 0.13 0.81 0.46 0.00 -1.71 0.00 0.00 66.02 65.71 2jmb s SER 64 CO 0.65 -1.62 1.64 0.00 1.20 0.00 0.00 173.24 175.12 2jmb h ALA 65 N 2.02 0.94 0.00 5.45 0.00 -2.02 -3.28 119.26 122.36 2jmb h ALA 65 Ca -0.32 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.11 2jmb h ALA 65 Cb 1.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2jmb h ALA 65 CO 0.41 0.65 0.00 0.09 0.00 0.00 0.00 179.25 180.41 2jmb n ASN 66 N -3.63 0.67 -4.72 0.00 5.03 -1.26 -4.94 115.26 106.42 2jmb n ASN 66 Ca -0.01 -0.84 -0.32 0.00 0.87 0.00 0.00 54.58 54.28 2jmb n ASN 66 Cb 0.59 0.31 -0.08 0.00 -1.02 0.00 0.00 39.78 39.58 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 -0.31 2.85 0.02 3.52 2.12 -1.24 -0.90 118.70 124.76 2jmb s GLU 67 Ca 0.00 -0.60 0.04 0.00 0.36 0.00 0.00 54.97 54.77 2jmb s GLU 67 Cb 0.00 -2.71 -0.02 0.00 0.26 0.00 0.00 34.13 31.66 2jmb s GLU 67 CO 0.00 0.62 -0.12 -1.17 -0.54 0.00 0.00 175.26 174.06 2jmb s LEU 68 N -1.71 2.12 -0.24 2.70 1.98 0.23 -3.19 118.68 120.57 2jmb s LEU 68 Ca 0.21 -0.35 0.01 0.00 -2.89 0.00 0.00 54.13 51.11 2jmb s LEU 68 Cb -0.12 -0.51 0.06 0.00 0.66 0.00 0.00 46.19 46.28 2jmb s LEU 68 CO 0.12 0.04 -0.03 -1.00 -1.89 0.00 0.00 176.35 173.59 2jmb s HIS 69 N -0.65 2.32 -0.02 5.38 3.76 -0.66 -0.77 115.29 124.65 2jmb s HIS 69 Ca 0.01 -1.74 -0.01 0.00 -0.15 0.00 0.00 55.06 53.17 2jmb s HIS 69 Cb -0.06 -1.60 0.01 0.00 1.11 0.00 0.00 32.58 32.04 2jmb s HIS 69 CO 0.00 -0.78 0.03 -3.38 -0.85 0.00 0.00 174.74 169.77 2jmb s HIS 70 N 1.42 -0.01 -1.36 1.40 -3.43 -1.08 0.57 115.29 112.79 2jmb s HIS 70 Ca -0.04 0.10 0.00 0.00 -0.80 0.00 0.00 55.06 54.32 2jmb s HIS 70 Cb -0.19 -0.08 0.00 0.00 -1.43 0.00 0.00 32.58 30.88 2jmb s HIS 70 CO -0.07 -0.05 0.00 0.41 -2.00 0.00 0.00 174.74 173.03 2jmb n GLY 71 N 3.52 0.64 1.90 -1.38 0.00 -1.22 0.32 105.19 108.98 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 0.42 3.77 -0.02 0.00 -1.26 -5.05 105.19 102.57 2jmb n GLY 72 Ca -0.15 -0.99 -0.22 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.80 2.51 -0.30 1.61 1.00 0.15 -5.11 119.30 117.36 2jmb s MET 73 Ca 0.00 -1.43 0.01 0.00 0.00 0.00 0.00 55.69 54.26 2jmb s MET 73 Cb 0.00 -2.29 0.07 0.00 0.00 0.00 0.00 34.83 32.60 2jmb s MET 73 CO 0.00 0.13 -0.01 0.99 0.00 0.00 0.00 175.02 176.13 2jmb s THR 74 N -2.37 2.62 -0.21 2.05 2.01 -1.26 -2.63 115.64 115.86 2jmb s THR 74 Ca 0.38 -1.68 -0.05 0.00 0.31 0.00 0.00 61.69 60.66 2jmb s THR 74 Cb -0.04 -2.61 -0.02 0.00 0.01 0.00 0.00 72.50 69.84 2jmb s THR 74 CO 0.24 -0.21 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.59 2jmb s PHE 75 N 1.14 3.00 -0.09 4.92 0.08 0.05 -3.84 117.98 123.24 2jmb s PHE 75 Ca -0.03 -0.63 -0.06 0.00 0.12 0.00 0.00 56.93 56.34 2jmb s PHE 75 Cb -0.20 -2.09 -0.04 0.00 -0.57 0.00 0.00 43.02 40.12 2jmb s PHE 75 CO -0.04 -0.35 0.15 0.71 -0.10 0.00 0.00 175.22 175.59 2jmb s TYR 76 N 1.18 3.57 0.61 0.36 1.51 0.30 0.74 117.35 125.62 2jmb s TYR 76 Ca 0.03 0.47 -0.20 0.00 -1.01 0.00 0.00 57.07 56.36 2jmb s TYR 76 Cb -0.15 -1.90 -0.03 0.00 -0.11 0.00 0.00 41.96 39.78 2jmb s TYR 76 CO 0.00 0.71 1.31 -2.13 -1.11 0.00 0.00 175.55 174.33 2jmb n ARG 77 N 1.67 1.34 0.00 -0.62 0.63 -0.08 -0.03 116.66 119.58 2jmb n ARG 77 Ca -0.17 0.51 0.00 0.00 -0.92 0.00 0.00 57.85 57.27 2jmb n ARG 77 Cb 0.54 -2.53 0.00 0.00 0.45 0.00 0.00 32.46 30.92 2jmb n ARG 77 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2jmb n GLU 78 N -1.50 0.00 -0.60 -0.14 1.02 0.69 -4.74 120.64 115.37 2jmb n GLU 78 Ca 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 2jmb n GLU 78 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.89 2jmb n GLU 78 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94