#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 1.98 -0.36 0.03 -0.21 -1.26 -4.89 119.66 114.95 2jmb s GLN 2 Ca 0.00 0.19 0.01 0.00 0.02 0.00 0.00 55.36 55.58 2jmb s GLN 2 Cb 0.00 -1.95 0.11 0.00 1.00 0.00 0.00 33.01 32.18 2jmb s GLN 2 CO 0.00 -1.60 0.15 -1.01 -2.12 0.00 0.00 175.29 170.71 2jmb s HIS 3 N -3.51 1.89 0.88 0.91 3.76 -1.25 -4.95 115.29 113.03 2jmb s HIS 3 Ca 0.62 -2.06 -0.11 0.00 -0.15 0.00 0.00 55.06 53.36 2jmb s HIS 3 Cb -0.12 -1.82 0.13 0.00 1.11 0.00 0.00 32.58 31.88 2jmb s HIS 3 CO 0.50 -0.85 1.15 -2.14 -0.85 0.00 0.00 174.74 172.55 2jmb s PRO 4 N 1.09 1.25 0.00 8.40 0.02 -1.26 -4.53 135.00 139.97 2jmb s PRO 4 Ca 0.13 1.54 0.00 0.00 0.02 0.00 0.00 61.00 62.69 2jmb s PRO 4 Cb -0.20 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.56 2jmb s PRO 4 CO -0.14 -2.46 0.00 0.66 -0.33 0.00 0.00 177.00 174.74 2jmb n TYR 5 N -4.01 -0.29 -1.77 6.54 4.02 -1.26 -4.97 117.16 115.43 2jmb n TYR 5 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.01 2jmb n TYR 5 Cb 0.52 0.19 0.00 0.00 -0.02 0.00 0.00 39.34 40.03 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 -1.89 -5.51 0.00 -0.72 0.31 -1.25 -5.06 118.33 104.22 2jmb n VAL 6 Ca 0.00 2.51 0.00 0.00 -0.01 0.00 0.00 64.34 66.84 2jmb n VAL 6 Cb 0.00 -3.33 0.00 0.00 -0.91 0.00 0.00 33.84 29.60 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 0.45 3.97 3.39 2.92 0.00 -0.49 -4.88 105.19 110.56 2jmb n GLY 7 Ca 0.00 -0.62 -0.44 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.69 4.75 -0.50 -0.61 1.01 -1.26 0.13 121.20 123.03 2jmb s ILE 8 Ca 0.00 -0.99 -0.21 0.00 0.00 0.00 0.00 60.65 59.45 2jmb s ILE 8 Cb 0.00 -4.56 0.04 0.00 0.01 0.00 0.00 42.46 37.96 2jmb s ILE 8 CO 0.00 -1.23 0.72 0.26 0.00 0.00 0.00 174.94 174.69 2jmb s TRP 9 N 2.85 2.98 0.20 3.97 0.52 0.31 0.21 118.94 129.97 2jmb s TRP 9 Ca 0.16 -0.26 0.08 0.00 0.02 0.00 0.00 56.10 56.11 2jmb s TRP 9 Cb -0.20 -3.64 -0.04 0.00 -1.15 0.00 0.00 33.47 28.43 2jmb s TRP 9 CO 0.05 -1.08 -0.04 0.08 0.02 0.00 0.00 176.95 175.98 2jmb s VAL 10 N 3.05 3.44 1.21 4.03 1.01 0.12 -0.15 120.40 133.11 2jmb s VAL 10 Ca 0.22 -1.63 -0.18 0.00 0.00 0.00 0.00 61.98 60.38 2jmb s VAL 10 Cb -0.16 -2.75 0.29 0.00 0.00 0.00 0.00 36.38 33.76 2jmb s VAL 10 CO 0.16 -0.17 1.08 0.42 0.00 0.00 0.00 175.10 176.59 2jmb s THR 11 N -1.85 1.62 -0.29 3.92 -4.23 -1.11 -0.45 115.64 113.25 2jmb s THR 11 Ca 0.27 0.00 0.26 0.00 -1.18 0.00 0.00 61.69 61.05 2jmb s THR 11 Cb -0.08 -2.41 0.35 0.00 1.34 0.00 0.00 72.50 71.70 2jmb s THR 11 CO 0.17 0.00 1.74 0.00 -0.54 0.00 0.00 174.62 175.99 2jmb h ALA 12 N -2.61 1.00 0.00 3.99 0.00 -1.94 -3.25 119.26 116.45 2jmb h ALA 12 Ca -0.47 0.00 -0.19 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 0.38 0.00 -2.05 -3.47 0.00 0.00 0.00 179.25 174.11 2jmb n ASP 13 N -3.03 0.76 0.00 0.00 2.03 -1.26 -5.01 116.55 110.04 2jmb n ASP 13 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 2jmb n ASP 13 Cb 0.45 1.28 0.00 0.00 -0.72 0.00 0.00 41.12 42.13 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 1.75 0.92 0.11 0.27 0.00 -1.23 -4.97 105.19 102.04 2jmb n GLY 14 Ca -0.18 -0.46 -0.03 0.00 0.00 0.00 0.00 46.02 45.35 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 -4.09 1.61 -0.00 -1.95 -3.46 114.38 106.49 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 0.17 0.00 -0.17 0.00 -0.00 0.00 0.00 29.97 29.96 2jmb h ARG 15 CO 0.00 0.75 -0.66 0.96 -0.00 0.00 0.00 179.97 181.02 2jmb s ILE 16 N -3.22 0.17 -0.02 0.08 -5.25 -1.26 -3.43 121.20 108.27 2jmb s ILE 16 Ca -0.00 -1.41 0.01 0.00 -0.99 0.00 0.00 60.65 58.25 2jmb s ILE 16 Cb 0.11 -1.02 0.02 0.00 2.95 0.00 0.00 42.46 44.52 2jmb s ILE 16 CO 0.78 -0.78 -0.01 -0.60 -1.79 0.00 0.00 174.94 172.54 2jmb s ARG 17 N -2.95 0.33 -0.24 0.37 3.52 -0.99 -2.76 118.95 116.23 2jmb s ARG 17 Ca -0.02 0.01 0.02 0.00 -0.13 0.00 0.00 55.73 55.62 2jmb s ARG 17 Cb 0.01 -0.44 0.05 0.00 -1.56 0.00 0.00 34.95 33.01 2jmb s ARG 17 CO -0.06 -0.08 -0.13 -1.14 -0.81 0.00 0.00 175.30 173.08 2jmb s GLN 18 N 0.72 2.41 -0.16 5.12 0.74 0.79 0.11 119.66 129.38 2jmb s GLN 18 Ca -0.07 -1.21 -0.17 0.00 0.05 0.00 0.00 55.36 53.96 2jmb s GLN 18 Cb -0.11 -2.80 -0.04 0.00 1.10 0.00 0.00 33.01 31.17 2jmb s GLN 18 CO -0.01 -0.48 0.44 -2.00 -0.55 0.00 0.00 175.29 172.69 2jmb s GLU 19 N 1.16 4.25 -0.43 1.67 2.12 0.30 0.11 118.70 127.88 2jmb s GLU 19 Ca -0.05 0.33 -0.20 0.00 0.36 0.00 0.00 54.97 55.41 2jmb s GLU 19 Cb -0.18 -3.49 0.02 0.00 0.26 0.00 0.00 34.13 30.74 2jmb s GLU 19 CO -0.07 0.05 0.59 -0.51 -0.54 0.00 0.00 175.26 174.78 2jmb s LEU 20 N 1.01 4.58 0.78 2.70 1.43 0.36 0.10 118.68 129.64 2jmb s LEU 20 Ca 0.22 -0.40 -0.13 0.00 -1.03 0.00 0.00 54.13 52.79 2jmb s LEU 20 Cb -0.15 -2.65 0.07 0.00 0.03 0.00 0.00 46.19 43.49 2jmb s LEU 20 CO 0.09 -0.73 1.18 -0.76 0.23 0.00 0.00 176.35 176.36 2jmb s LEU 21 N 2.65 3.17 0.43 1.79 1.02 0.38 -1.39 118.68 126.73 2jmb s LEU 21 Ca 0.20 2.26 0.30 0.00 0.02 0.00 0.00 54.13 56.90 2jmb s LEU 21 Cb -0.15 -4.58 1.46 0.00 0.02 0.00 0.00 46.19 42.95 2jmb s LEU 21 CO 0.18 -2.45 1.90 -0.65 0.02 0.00 0.00 176.35 175.35 2jmb h PRO 22 N -0.77 0.00 -0.77 1.29 0.11 -1.96 -1.92 132.00 127.98 2jmb h PRO 22 Ca -0.46 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.51 2jmb h PRO 22 Cb 1.28 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.31 2jmb h PRO 22 CO 0.48 0.00 0.18 0.27 -0.21 0.00 0.00 178.00 178.72 2jmb n ASN 23 N -2.58 4.46 -2.49 -2.05 6.94 -1.26 -4.89 115.26 113.38 2jmb n ASN 23 Ca -0.01 -2.95 -0.10 0.00 -0.02 0.00 0.00 54.58 51.50 2jmb n ASN 23 Cb 0.13 -0.70 0.05 0.00 -2.36 0.00 0.00 39.78 36.91 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 0.05 -0.13 3.27 4.83 0.00 -0.73 -4.93 105.19 107.55 2jmb n GLY 24 Ca 0.32 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.79 0.47 -4.05 1.61 5.12 -1.17 -4.45 116.66 111.40 2jmb n ARG 25 Ca -0.14 -3.26 -0.12 0.00 -1.93 0.00 0.00 57.85 52.40 2jmb n ARG 25 Cb 0.59 2.76 -0.12 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 -3.27 0.56 -0.21 -1.55 -0.85 -1.22 0.14 117.35 110.96 2jmb s TYR 26 Ca 0.38 -0.47 -0.04 0.00 -0.52 0.00 0.00 57.07 56.42 2jmb s TYR 26 Cb 0.01 -0.34 0.10 0.00 0.38 0.00 0.00 41.96 42.11 2jmb s TYR 26 CO 0.27 -0.10 0.28 -0.51 -1.52 0.00 0.00 175.55 173.97 2jmb s ASP 27 N -1.44 0.85 -0.15 -0.18 1.11 0.28 -2.37 116.67 114.77 2jmb s ASP 27 Ca -0.10 0.06 -0.06 0.00 0.18 0.00 0.00 52.55 52.62 2jmb s ASP 27 Cb -0.09 0.67 -0.04 0.00 1.07 0.00 0.00 42.92 44.53 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 2.41 3.63 -0.30 8.23 2.12 -0.86 0.11 118.70 134.05 2jmb s GLU 28 Ca 0.08 -0.34 0.03 0.00 0.36 0.00 0.00 54.97 55.11 2jmb s GLU 28 Cb -0.15 -3.09 0.08 0.00 0.26 0.00 0.00 34.13 31.23 2jmb s GLU 28 CO -0.13 0.46 -0.03 0.00 -0.54 0.00 0.00 175.26 175.02 2jmb s ALA 29 N -0.17 2.73 -0.46 6.30 0.00 0.29 -2.21 121.76 128.26 2jmb s ALA 29 Ca 0.07 -2.14 -0.16 0.00 0.00 0.00 0.00 51.96 49.73 2jmb s ALA 29 Cb -0.12 -1.78 0.06 0.00 0.00 0.00 0.00 23.12 21.28 2jmb s ALA 29 CO 0.01 -1.44 0.38 1.03 0.00 0.00 0.00 175.76 175.75 2jmb s ARG 30 N 1.01 2.99 2.61 0.00 0.52 -0.82 -2.35 118.95 122.90 2jmb s ARG 30 Ca 0.01 -1.23 0.00 0.00 -0.52 0.00 0.00 55.73 53.99 2jmb s ARG 30 Cb -0.20 -4.09 0.00 0.00 0.52 0.00 0.00 34.95 31.19 2jmb s ARG 30 CO -0.06 -0.96 0.00 0.41 0.02 0.00 0.00 175.30 174.70 2jmb n GLY 31 N 5.19 1.44 0.34 -3.53 0.00 -1.22 -1.18 105.19 106.23 2jmb n GLY 31 Ca -0.12 -0.49 0.18 0.00 0.00 0.00 0.00 46.02 45.59 2jmb n GLY 31 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2jmb h ASN 32 N 5.12 0.00 -2.67 1.61 -0.73 -1.95 -3.25 115.58 113.71 2jmb h ASN 32 Ca 0.00 0.00 -0.76 0.00 1.87 0.00 0.00 56.30 57.41 2jmb h ASN 32 Cb 0.00 0.00 -0.22 0.00 0.27 0.00 0.00 38.32 38.37 2jmb h ASN 32 CO 0.00 0.00 1.04 -1.14 -0.37 0.00 0.00 177.43 176.96 2jmb n ARG 33 N -3.41 3.46 -2.09 6.67 3.00 -0.33 -5.01 116.66 118.95 2jmb n ARG 33 Ca 0.01 -4.08 -0.27 0.00 -0.00 0.00 0.00 57.85 53.51 2jmb n ARG 33 Cb 0.35 -2.85 0.07 0.00 0.00 0.00 0.00 32.46 30.03 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 0.42 2.24 -0.91 -0.14 0.00 -1.23 -1.95 119.74 118.17 2jmb s LYS 34 Ca 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 55.97 56.30 2jmb s LYS 34 Cb -0.05 -2.09 0.00 0.00 0.00 0.00 0.00 37.83 35.69 2jmb s LYS 34 CO -0.03 -1.29 0.00 0.43 0.00 0.00 0.00 175.35 174.46 2jmb n SER 35 N -3.03 -3.39 -0.16 0.03 7.64 -1.10 -4.82 113.62 108.81 2jmb n SER 35 Ca 0.08 0.24 -0.02 0.00 1.01 0.00 0.00 58.87 60.18 2jmb n SER 35 Cb 0.60 -2.93 0.06 0.00 -1.01 0.00 0.00 64.21 60.93 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 0.52 -2.79 -0.43 0.00 -1.57 -3.43 119.26 112.56 2jmb h ALA 36 Ca -0.24 0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 2jmb h ALA 36 Cb 1.14 0.18 -0.24 0.00 0.00 0.00 0.00 17.79 18.87 2jmb h ALA 36 CO 0.29 -0.34 -0.28 0.71 0.00 0.00 0.00 179.25 179.63 2jmb s TYR 37 N -6.15 -0.37 -0.02 0.00 1.51 -1.25 -5.07 117.35 106.00 2jmb s TYR 37 Ca -0.13 0.88 -0.18 0.00 -1.01 0.00 0.00 57.07 56.63 2jmb s TYR 37 Cb 0.16 0.13 0.03 0.00 -0.11 0.00 0.00 41.96 42.17 2jmb s TYR 37 CO 0.72 -0.23 0.38 -0.65 -1.11 0.00 0.00 175.55 174.67 2jmb s GLN 38 N -0.04 0.74 0.00 -0.62 1.11 -1.26 -2.02 119.66 117.56 2jmb s GLN 38 Ca -0.02 -0.10 0.00 0.00 0.01 0.00 0.00 55.36 55.25 2jmb s GLN 38 Cb -0.03 0.33 0.00 0.00 -1.01 0.00 0.00 33.01 32.30 2jmb s GLN 38 CO 0.01 -0.21 0.00 0.41 0.01 0.00 0.00 175.29 175.51 2jmb n GLY 39 N 1.22 0.92 3.47 3.09 0.00 -1.00 -4.55 105.19 108.33 2jmb n GLY 39 Ca -0.21 0.42 -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 3.10 1.31 0.06 1.61 3.03 -1.26 -3.38 118.95 123.42 2jmb s ARG 40 Ca 0.00 -0.90 0.01 0.00 2.03 0.00 0.00 55.73 56.88 2jmb s ARG 40 Cb 0.00 0.49 -0.03 0.00 -1.03 0.00 0.00 34.95 34.38 2jmb s ARG 40 CO 0.00 -0.54 -0.06 1.52 -1.13 0.00 0.00 175.30 175.09 2jmb s TYR 41 N -3.88 0.65 -0.12 5.89 1.13 -1.26 -1.26 117.35 118.50 2jmb s TYR 41 Ca 0.10 -0.75 0.03 0.00 -1.41 0.00 0.00 57.07 55.03 2jmb s TYR 41 Cb 0.00 -0.41 0.01 0.00 -1.10 0.00 0.00 41.96 40.46 2jmb s TYR 41 CO -0.03 -0.18 -0.23 -2.00 -2.51 0.00 0.00 175.55 170.60 2jmb s GLU 42 N -2.77 3.04 -0.19 -3.49 2.12 -0.91 -3.88 118.70 112.62 2jmb s GLU 42 Ca -0.00 -0.86 -0.08 0.00 0.36 0.00 0.00 54.97 54.38 2jmb s GLU 42 Cb -0.01 -2.38 -0.04 0.00 0.26 0.00 0.00 34.13 31.95 2jmb s GLU 42 CO -0.04 0.07 0.08 0.08 -0.54 0.00 0.00 175.26 174.91 2jmb s VAL 43 N 0.61 4.97 -0.38 3.70 1.01 -1.26 -2.73 120.40 126.31 2jmb s VAL 43 Ca -0.12 0.03 0.01 0.00 0.00 0.00 0.00 61.98 61.90 2jmb s VAL 43 Cb -0.17 -3.25 0.15 0.00 0.00 0.00 0.00 36.38 33.12 2jmb s VAL 43 CO 0.03 0.46 0.25 -0.60 0.00 0.00 0.00 175.10 175.23 2jmb s ARG 44 N 0.36 0.75 -0.94 2.72 6.06 0.34 -4.84 118.95 123.40 2jmb s ARG 44 Ca 0.04 -1.63 -0.04 0.00 -2.50 0.00 0.00 55.73 51.61 2jmb s ARG 44 Cb -0.12 -1.48 0.00 0.00 0.06 0.00 0.00 34.95 33.41 2jmb s ARG 44 CO -0.01 -1.25 0.81 0.41 -2.50 0.00 0.00 175.30 172.76 2jmb n GLY 45 N 3.67 -0.14 2.45 8.12 0.00 -1.26 -2.36 105.19 115.67 2jmb n GLY 45 Ca 0.16 -0.02 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 -3.90 0.00 -2.71 4.61 0.00 -1.26 -4.96 120.51 112.29 2jmb n ALA 46 Ca -0.08 0.00 -0.37 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 -2.36 3.46 0.03 0.00 4.02 -1.00 0.51 115.29 119.95 2jmb s HIS 47 Ca 0.00 0.72 -0.06 0.00 1.02 0.00 0.00 55.06 56.74 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 0.14 0.10 -1.50 1.02 0.00 0.00 174.74 174.50 2jmb s ILE 48 N 0.75 0.12 0.06 0.60 -1.16 -1.18 0.13 121.20 120.52 2jmb s ILE 48 Ca 0.21 -0.98 0.04 0.00 -0.51 0.00 0.00 60.65 59.41 2jmb s ILE 48 Cb -0.14 -0.73 -0.03 0.00 0.61 0.00 0.00 42.46 42.18 2jmb s ILE 48 CO 0.07 -0.54 -0.12 0.20 -2.81 0.00 0.00 174.94 171.75 2jmb s ASN 49 N -1.88 1.35 -0.32 4.50 0.01 -1.11 0.15 114.94 117.64 2jmb s ASN 49 Ca -0.08 -0.60 -0.12 0.00 -0.71 0.00 0.00 52.86 51.35 2jmb s ASN 49 Cb -0.04 -0.01 -0.03 0.00 0.41 0.00 0.00 41.25 41.58 2jmb s ASN 49 CO -0.03 -0.13 0.23 -0.31 -1.51 0.00 0.00 177.10 175.35 2jmb s TYR 50 N -1.34 3.23 -0.68 2.20 2.02 0.70 -2.14 117.35 121.33 2jmb s TYR 50 Ca -0.05 -0.12 -0.06 0.00 -0.37 0.00 0.00 57.07 56.47 2jmb s TYR 50 Cb -0.10 -2.45 0.18 0.00 -0.40 0.00 0.00 41.96 39.19 2jmb s TYR 50 CO 0.01 -0.31 0.53 -0.46 -1.57 0.00 0.00 175.55 173.76 2jmb s TRP 51 N 1.74 3.50 0.79 2.71 -0.00 -0.39 0.49 118.94 127.78 2jmb s TRP 51 Ca 0.06 -2.53 -0.11 0.00 -0.00 0.00 0.00 56.10 53.52 2jmb s TRP 51 Cb -0.17 -3.36 0.07 0.00 -0.00 0.00 0.00 33.47 30.01 2jmb s TRP 51 CO 0.11 -0.88 1.12 -0.51 -0.00 0.00 0.00 176.95 176.79 2jmb s ASP 52 N 1.05 4.12 0.09 5.86 1.11 0.47 -4.02 116.67 125.35 2jmb s ASP 52 Ca 0.17 2.00 0.26 0.00 0.18 0.00 0.00 52.55 55.16 2jmb s ASP 52 Cb -0.17 -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 -0.90 1.18 0.00 0.00 175.17 174.68 2jmb n ASP 53 N -3.49 0.53 -1.49 0.27 5.68 -1.26 -3.72 116.55 113.07 2jmb n ASP 53 Ca 0.10 0.21 -0.05 0.00 -0.50 0.00 0.00 54.79 54.56 2jmb n ASP 53 Cb 0.52 -0.17 0.16 0.00 -1.14 0.00 0.00 41.12 40.50 2jmb n ASP 53 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 2jmb n THR 54 N -1.87 1.89 -1.64 2.12 5.66 -1.26 -4.85 114.28 114.34 2jmb n THR 54 Ca 0.05 -0.93 -0.02 0.00 -3.05 0.00 0.00 64.05 60.10 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 -0.04 0.39 3.53 1.09 0.00 -1.24 -5.05 105.19 103.86 2jmb n GLY 55 Ca 0.25 -0.88 -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 -2.09 2.38 -0.22 1.61 2.19 -1.25 -5.02 117.98 115.59 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 -1.26 0.07 0.00 -1.31 0.00 0.00 43.02 40.52 2jmb s PHE 56 CO 0.00 0.62 0.72 0.95 1.83 0.00 0.00 175.22 179.35 2jmb s THR 57 N -2.57 0.00 -0.07 0.12 -4.23 -1.25 -0.40 115.64 107.24 2jmb s THR 57 Ca 0.32 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.80 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 0.16 0.00 0.13 0.00 -0.54 0.00 0.00 174.62 174.37 2jmb s ALA 58 N -0.02 -0.08 0.28 3.99 0.00 0.18 -4.92 121.76 121.19 2jmb s ALA 58 Ca -0.03 0.48 -0.09 0.00 0.00 0.00 0.00 51.96 52.33 2jmb s ALA 58 Cb -0.04 -0.71 -0.07 0.00 0.00 0.00 0.00 23.12 22.30 2jmb s ALA 58 CO 0.03 -0.49 0.60 0.16 0.00 0.00 0.00 175.76 176.06 2jmb s ASP 59 N 2.09 6.56 0.00 0.00 1.47 -1.26 0.25 116.67 125.78 2jmb s ASP 59 Ca 0.02 0.91 0.00 0.00 1.18 0.00 0.00 52.55 54.65 2jmb s ASP 59 Cb -0.12 -2.22 0.00 0.00 -0.34 0.00 0.00 42.92 40.24 2jmb s ASP 59 CO -0.05 -0.17 0.00 0.61 0.68 0.00 0.00 175.17 176.24 2jmb n GLY 60 N -0.60 3.61 3.64 2.12 0.00 0.39 -3.78 105.19 110.58 2jmb n GLY 60 Ca 0.00 -1.16 -0.05 0.00 0.00 0.00 0.00 46.02 44.82 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 0.57 -0.53 -0.44 1.61 -4.77 0.90 -3.09 116.67 110.92 2jmb s ASP 61 Ca 0.00 0.89 -0.29 0.00 -3.30 0.00 0.00 52.55 49.86 2jmb s ASP 61 Cb 0.00 1.13 0.02 0.00 -1.09 0.00 0.00 42.92 42.98 2jmb s ASP 61 CO 0.00 -0.14 1.28 -0.36 0.70 0.00 0.00 175.17 176.64 2jmb s PHE 62 N 1.06 2.61 -0.95 2.11 0.40 0.18 -1.68 117.98 121.71 2jmb s PHE 62 Ca -0.06 0.70 0.27 0.00 -0.60 0.00 0.00 56.93 57.24 2jmb s PHE 62 Cb -0.04 -4.36 0.82 0.00 0.51 0.00 0.00 43.02 39.95 2jmb s PHE 62 CO -0.13 -1.62 1.65 1.33 0.70 0.00 0.00 175.22 177.14 2jmb n VAL 63 N 6.94 0.07 -3.50 -0.44 0.24 -1.23 -4.90 118.33 115.52 2jmb n VAL 63 Ca 0.14 -0.04 -0.05 0.00 -2.04 0.00 0.00 64.34 62.35 2jmb n VAL 63 Cb 0.48 -0.15 0.02 0.00 -1.47 0.00 0.00 33.84 32.72 2jmb n VAL 63 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2jmb n SER 64 N -1.60 -1.40 0.06 -1.34 2.88 -1.21 -4.95 113.62 106.06 2jmb n SER 64 Ca 0.06 -1.96 -0.08 0.00 -1.33 0.00 0.00 58.87 55.57 2jmb n SER 64 Cb 0.35 2.32 0.07 0.00 -0.75 0.00 0.00 64.21 66.20 2jmb n SER 64 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jmb h ALA 65 N 2.00 0.71 0.00 -1.46 0.00 -2.02 -3.31 119.26 115.18 2jmb h ALA 65 Ca -0.20 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.13 2jmb h ALA 65 Cb 0.76 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2jmb h ALA 65 CO 0.26 0.75 0.00 0.09 0.00 0.00 0.00 179.25 180.35 2jmb n ASN 66 N -3.86 1.36 -4.72 0.00 5.03 -1.26 -4.99 115.26 106.84 2jmb n ASN 66 Ca -0.03 -1.40 -0.33 0.00 0.87 0.00 0.00 54.58 53.69 2jmb n ASN 66 Cb 0.66 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 39.34 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 -0.40 2.87 0.02 3.52 2.12 -1.25 -0.95 118.70 124.63 2jmb s GLU 67 Ca 0.00 -0.58 0.04 0.00 0.36 0.00 0.00 54.97 54.79 2jmb s GLU 67 Cb 0.00 -2.73 -0.02 0.00 0.26 0.00 0.00 34.13 31.65 2jmb s GLU 67 CO 0.00 0.63 -0.11 -1.17 -0.54 0.00 0.00 175.26 174.06 2jmb s LEU 68 N -1.66 2.12 -0.23 2.70 1.98 0.22 -3.36 118.68 120.44 2jmb s LEU 68 Ca 0.21 -0.35 0.00 0.00 -2.89 0.00 0.00 54.13 51.11 2jmb s LEU 68 Cb -0.12 -0.50 0.06 0.00 0.66 0.00 0.00 46.19 46.29 2jmb s LEU 68 CO 0.12 0.04 -0.05 -1.00 -1.89 0.00 0.00 176.35 173.57 2jmb s HIS 69 N -0.65 2.30 -0.02 5.38 3.76 -0.68 -0.51 115.29 124.87 2jmb s HIS 69 Ca 0.01 -1.69 -0.01 0.00 -0.15 0.00 0.00 55.06 53.22 2jmb s HIS 69 Cb -0.06 -1.54 0.02 0.00 1.11 0.00 0.00 32.58 32.11 2jmb s HIS 69 CO 0.00 -0.76 0.05 -3.38 -0.85 0.00 0.00 174.74 169.80 2jmb s HIS 70 N 1.43 -0.03 -1.45 1.40 -3.43 -1.04 -0.07 115.29 112.10 2jmb s HIS 70 Ca -0.06 0.16 0.00 0.00 -0.80 0.00 0.00 55.06 54.36 2jmb s HIS 70 Cb -0.19 -0.09 0.00 0.00 -1.43 0.00 0.00 32.58 30.87 2jmb s HIS 70 CO -0.06 -0.06 0.00 0.41 -2.00 0.00 0.00 174.74 173.02 2jmb n GLY 71 N 3.61 0.80 1.75 -1.38 0.00 -1.25 0.23 105.19 108.95 2jmb n GLY 71 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.45 0.47 3.77 -0.02 0.00 -1.26 -5.05 105.19 102.65 2jmb n GLY 72 Ca -0.15 -0.83 -0.22 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.52 2.56 -0.30 1.61 1.00 0.13 -5.11 119.30 117.68 2jmb s MET 73 Ca 0.00 -1.37 0.01 0.00 0.00 0.00 0.00 55.69 54.32 2jmb s MET 73 Cb 0.00 -2.33 0.07 0.00 0.00 0.00 0.00 34.83 32.56 2jmb s MET 73 CO 0.00 0.18 -0.01 0.99 0.00 0.00 0.00 175.02 176.18 2jmb s THR 74 N -2.33 2.64 -0.23 2.05 2.01 -1.26 -2.50 115.64 116.02 2jmb s THR 74 Ca 0.37 -1.67 -0.05 0.00 0.31 0.00 0.00 61.69 60.65 2jmb s THR 74 Cb -0.05 -2.61 -0.02 0.00 0.01 0.00 0.00 72.50 69.83 2jmb s THR 74 CO 0.24 -0.20 0.01 -0.36 -0.69 0.00 0.00 174.62 173.61 2jmb s PHE 75 N 1.14 3.02 -0.08 4.92 0.08 0.34 -3.77 117.98 123.63 2jmb s PHE 75 Ca -0.03 -0.65 -0.05 0.00 0.12 0.00 0.00 56.93 56.32 2jmb s PHE 75 Cb -0.20 -2.15 -0.04 0.00 -0.57 0.00 0.00 43.02 40.06 2jmb s PHE 75 CO -0.04 -0.42 0.13 0.71 -0.10 0.00 0.00 175.22 175.50 2jmb s TYR 76 N 1.43 3.50 0.36 0.36 1.51 0.40 0.70 117.35 125.61 2jmb s TYR 76 Ca 0.05 0.41 -0.27 0.00 -1.01 0.00 0.00 57.07 56.26 2jmb s TYR 76 Cb -0.15 -1.87 -0.09 0.00 -0.11 0.00 0.00 41.96 39.74 2jmb s TYR 76 CO 0.00 0.66 1.17 0.50 -1.11 0.00 0.00 175.55 176.77 2jmb s ARG 77 N -1.29 4.26 0.00 -0.62 3.52 -0.13 -0.70 118.95 123.99 2jmb s ARG 77 Ca 0.18 1.87 0.00 0.00 -0.13 0.00 0.00 55.73 57.65 2jmb s ARG 77 Cb -0.12 -2.86 0.00 0.00 -1.56 0.00 0.00 34.95 30.41 2jmb s ARG 77 CO 0.08 -0.15 0.00 -1.91 -0.81 0.00 0.00 175.30 172.51 2jmb n GLU 78 N 0.46 0.00 -0.73 5.12 0.00 0.55 -4.89 120.64 121.15 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