#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 1.29 -0.31 0.03 1.11 -1.26 -4.87 119.66 115.65 2jmb s GLN 2 Ca 0.00 -1.33 0.02 0.00 0.01 0.00 0.00 55.36 54.06 2jmb s GLN 2 Cb 0.00 -1.57 0.09 0.00 -1.01 0.00 0.00 33.01 30.52 2jmb s GLN 2 CO 0.00 0.35 0.04 -1.01 0.01 0.00 0.00 175.29 174.68 2jmb s HIS 3 N -1.44 2.86 1.02 0.91 3.76 -1.26 -5.02 115.29 116.11 2jmb s HIS 3 Ca 0.13 -2.35 -0.13 0.00 -0.15 0.00 0.00 55.06 52.55 2jmb s HIS 3 Cb -0.09 -2.26 0.12 0.00 1.11 0.00 0.00 32.58 31.46 2jmb s HIS 3 CO 0.06 -0.89 0.58 -2.30 -0.85 0.00 0.00 174.74 171.34 2jmb n PRO 4 N 4.52 -0.98 0.00 8.40 -0.02 -1.26 -4.63 135.00 141.04 2jmb n PRO 4 Ca -0.02 -0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.22 2jmb n PRO 4 Cb 0.42 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 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 -4.16 -0.17 -1.91 6.00 4.02 -1.26 -4.96 117.16 114.72 2jmb n TYR 5 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.95 2jmb n TYR 5 Cb 0.55 0.12 0.00 0.00 -0.02 0.00 0.00 39.34 40.00 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 -1.75 -6.64 0.00 -0.72 0.31 -1.25 -5.06 118.33 103.22 2jmb n VAL 6 Ca 0.00 2.77 0.00 0.00 -0.01 0.00 0.00 64.34 67.10 2jmb n VAL 6 Cb 0.00 -3.71 0.00 0.00 -0.91 0.00 0.00 33.84 29.22 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 0.67 3.72 3.38 2.92 0.00 -0.68 -4.88 105.19 110.31 2jmb n GLY 7 Ca 0.00 -0.50 -0.45 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.75 4.93 -0.48 -0.61 1.01 -1.26 0.14 121.20 123.18 2jmb s ILE 8 Ca 0.00 -1.33 -0.23 0.00 0.00 0.00 0.00 60.65 59.09 2jmb s ILE 8 Cb 0.00 -4.54 0.03 0.00 0.01 0.00 0.00 42.46 37.97 2jmb s ILE 8 CO 0.00 -1.17 0.79 0.26 0.00 0.00 0.00 174.94 174.82 2jmb s TRP 9 N 2.28 2.96 0.21 3.97 0.52 0.31 0.25 118.94 129.44 2jmb s TRP 9 Ca 0.16 0.03 0.10 0.00 0.02 0.00 0.00 56.10 56.41 2jmb s TRP 9 Cb -0.19 -3.71 -0.04 0.00 -1.15 0.00 0.00 33.47 28.37 2jmb s TRP 9 CO 0.01 -1.06 -0.13 0.08 0.02 0.00 0.00 176.95 175.86 2jmb s VAL 10 N 3.33 2.91 1.13 4.03 1.01 0.12 0.08 120.40 133.01 2jmb s VAL 10 Ca 0.28 -1.90 -0.19 0.00 0.00 0.00 0.00 61.98 60.17 2jmb s VAL 10 Cb -0.13 -2.46 0.29 0.00 0.00 0.00 0.00 36.38 34.07 2jmb s VAL 10 CO 0.20 -0.19 0.84 0.35 0.00 0.00 0.00 175.10 176.30 2jmb n THR 11 N -0.13 0.00 0.24 3.92 -2.24 -1.14 0.91 114.28 115.83 2jmb n THR 11 Ca -0.10 -0.23 0.12 0.00 -2.27 0.00 0.00 64.05 61.58 2jmb n THR 11 Cb 0.57 -1.03 0.16 0.00 -2.10 0.00 0.00 70.33 67.92 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 -2.97 0.91 0.00 6.98 0.00 -1.94 -3.33 119.26 118.91 2jmb h ALA 12 Ca -0.34 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.37 2jmb h ALA 12 Cb 1.09 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 2jmb h ALA 12 CO 0.21 0.00 -1.98 -3.47 0.00 0.00 0.00 179.25 174.02 2jmb n ASP 13 N -2.95 1.19 0.00 0.00 -0.08 -1.26 -5.01 116.55 108.43 2jmb n ASP 13 Ca 0.03 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 2jmb n ASP 13 Cb 0.52 1.13 0.00 0.00 2.34 0.00 0.00 41.12 45.11 2jmb n ASP 13 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jmb n GLY 14 N 1.91 1.21 0.09 0.27 0.00 -1.25 -4.98 105.19 102.43 2jmb n GLY 14 Ca -0.19 -0.32 -0.04 0.00 0.00 0.00 0.00 46.02 45.47 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 -4.23 1.61 -0.00 -1.95 -3.46 114.38 106.35 2jmb h ARG 15 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 59.98 59.83 2jmb h ARG 15 Cb 0.20 0.00 -0.17 0.00 -0.00 0.00 0.00 29.97 30.01 2jmb h ARG 15 CO 0.00 0.85 -0.69 0.96 -0.00 0.00 0.00 179.97 181.10 2jmb s ILE 16 N -2.93 0.25 0.00 0.08 -5.25 -1.26 -3.09 121.20 109.00 2jmb s ILE 16 Ca 0.01 -1.59 0.01 0.00 -0.99 0.00 0.00 60.65 58.09 2jmb s ILE 16 Cb 0.10 -1.21 -0.01 0.00 2.95 0.00 0.00 42.46 44.30 2jmb s ILE 16 CO 0.80 -0.85 -0.03 -0.60 -1.79 0.00 0.00 174.94 172.46 2jmb s ARG 17 N -3.25 0.27 -0.19 0.37 3.52 -1.06 -2.88 118.95 115.72 2jmb s ARG 17 Ca 0.01 -0.20 -0.01 0.00 -0.13 0.00 0.00 55.73 55.40 2jmb s ARG 17 Cb 0.03 -0.20 0.05 0.00 -1.56 0.00 0.00 34.95 33.27 2jmb s ARG 17 CO -0.07 0.05 -0.01 -1.14 -0.81 0.00 0.00 175.30 173.32 2jmb s GLN 18 N -0.32 1.09 -0.17 5.12 0.74 0.11 0.96 119.66 127.19 2jmb s GLN 18 Ca -0.01 -0.56 -0.15 0.00 0.05 0.00 0.00 55.36 54.69 2jmb s GLN 18 Cb -0.03 -2.14 -0.04 0.00 1.10 0.00 0.00 33.01 31.90 2jmb s GLN 18 CO -0.00 -0.56 0.37 -2.00 -0.55 0.00 0.00 175.29 172.55 2jmb s GLU 19 N 1.69 4.23 -0.37 1.67 2.12 0.29 0.12 118.70 128.44 2jmb s GLU 19 Ca -0.01 0.19 -0.20 0.00 0.36 0.00 0.00 54.97 55.31 2jmb s GLU 19 Cb -0.17 -3.48 0.00 0.00 0.26 0.00 0.00 34.13 30.74 2jmb s GLU 19 CO -0.07 0.09 0.60 -0.51 -0.54 0.00 0.00 175.26 174.83 2jmb s LEU 20 N 0.90 4.33 0.73 2.70 1.43 0.36 0.83 118.68 129.95 2jmb s LEU 20 Ca 0.19 0.01 -0.13 0.00 -1.03 0.00 0.00 54.13 53.17 2jmb s LEU 20 Cb -0.14 -2.71 0.04 0.00 0.03 0.00 0.00 46.19 43.40 2jmb s LEU 20 CO 0.07 -0.59 1.13 -0.76 0.23 0.00 0.00 176.35 176.43 2jmb s LEU 21 N 2.62 3.23 0.47 1.79 1.02 0.42 -1.69 118.68 126.54 2jmb s LEU 21 Ca 0.22 2.05 0.32 0.00 0.02 0.00 0.00 54.13 56.74 2jmb s LEU 21 Cb -0.15 -4.55 1.59 0.00 0.02 0.00 0.00 46.19 43.10 2jmb s LEU 21 CO 0.15 -2.01 1.96 -0.65 0.02 0.00 0.00 176.35 175.82 2jmb h PRO 22 N -0.51 0.00 -0.79 1.29 0.11 -1.96 -1.77 132.00 128.37 2jmb h PRO 22 Ca -0.46 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.49 2jmb h PRO 22 Cb 1.25 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.27 2jmb h PRO 22 CO 0.51 0.00 0.20 0.27 -0.21 0.00 0.00 178.00 178.77 2jmb n ASN 23 N -2.67 4.41 -2.59 -2.05 6.94 -1.26 -4.89 115.26 113.14 2jmb n ASN 23 Ca -0.01 -2.97 -0.10 0.00 -0.02 0.00 0.00 54.58 51.48 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 -0.22 3.29 4.83 0.00 -0.67 -4.90 105.19 107.53 2jmb n GLY 24 Ca 0.32 0.05 -0.18 0.00 0.00 0.00 0.00 46.02 46.21 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 -4.44 116.66 111.37 2jmb n ARG 25 Ca -0.13 -3.17 -0.13 0.00 -1.93 0.00 0.00 57.85 52.49 2jmb n ARG 25 Cb 0.60 2.74 -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 0.62 -0.20 -1.55 -0.85 -1.23 0.16 117.35 111.10 2jmb s TYR 26 Ca 0.36 -0.49 -0.04 0.00 -0.52 0.00 0.00 57.07 56.38 2jmb s TYR 26 Cb 0.01 -0.38 0.10 0.00 0.38 0.00 0.00 41.96 42.08 2jmb s TYR 26 CO 0.26 -0.09 0.29 -0.51 -1.52 0.00 0.00 175.55 173.97 2jmb s ASP 27 N -1.53 0.76 -0.16 -0.18 1.11 0.24 -2.66 116.67 114.25 2jmb s ASP 27 Ca -0.10 0.11 -0.06 0.00 0.18 0.00 0.00 52.55 52.67 2jmb s ASP 27 Cb -0.10 0.72 -0.04 0.00 1.07 0.00 0.00 42.92 44.58 2jmb s ASP 27 CO 0.00 -0.30 0.06 -0.70 1.18 0.00 0.00 175.17 175.41 2jmb s GLU 28 N 2.43 3.77 -0.29 8.23 2.12 -0.85 0.10 118.70 134.21 2jmb s GLU 28 Ca 0.08 -0.34 0.03 0.00 0.36 0.00 0.00 54.97 55.10 2jmb s GLU 28 Cb -0.15 -3.14 0.08 0.00 0.26 0.00 0.00 34.13 31.18 2jmb s GLU 28 CO -0.13 0.38 -0.02 0.00 -0.54 0.00 0.00 175.26 174.95 2jmb s ALA 29 N 0.05 2.57 0.07 6.30 0.00 0.27 -2.58 121.76 128.44 2jmb s ALA 29 Ca 0.05 -2.04 -0.04 0.00 0.00 0.00 0.00 51.96 49.94 2jmb s ALA 29 Cb -0.12 -1.73 -0.05 0.00 0.00 0.00 0.00 23.12 21.22 2jmb s ALA 29 CO 0.01 -1.43 0.29 1.03 0.00 0.00 0.00 175.76 175.65 2jmb s ARG 30 N 1.08 3.55 0.25 0.00 0.52 -1.03 -2.57 118.95 120.75 2jmb s ARG 30 Ca 0.01 -0.20 -0.30 0.00 -0.52 0.00 0.00 55.73 54.72 2jmb s ARG 30 Cb -0.19 -2.98 -0.14 0.00 0.52 0.00 0.00 34.95 32.15 2jmb s ARG 30 CO -0.08 0.57 1.13 0.41 0.02 0.00 0.00 175.30 177.35 2jmb n GLY 31 N 0.47 0.03 2.36 -3.53 0.00 -1.18 -0.52 105.19 102.84 2jmb n GLY 31 Ca -0.06 0.41 -0.17 0.00 0.00 0.00 0.00 46.02 46.20 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 1.56 -4.78 -2.66 1.61 2.85 -1.26 -4.76 115.26 107.82 2jmb n ASN 32 Ca 0.11 0.28 -0.04 0.00 -0.11 0.00 0.00 54.58 54.83 2jmb n ASN 32 Cb 0.30 -4.18 0.09 0.00 1.24 0.00 0.00 39.78 37.24 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 -2.46 0.13 -1.65 1.20 3.00 0.33 -5.17 116.66 112.04 2jmb n ARG 33 Ca -0.19 -0.70 -0.29 0.00 -0.00 0.00 0.00 57.85 56.68 2jmb n ARG 33 Cb 0.60 -0.19 0.12 0.00 0.00 0.00 0.00 32.46 33.00 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 0.07 1.45 -0.82 -0.14 0.00 -0.93 -2.46 119.74 116.93 2jmb s LYS 34 Ca 0.23 0.26 0.00 0.00 0.00 0.00 0.00 55.97 56.46 2jmb s LYS 34 Cb 0.25 -1.88 0.00 0.00 0.00 0.00 0.00 37.83 36.20 2jmb s LYS 34 CO -0.14 -1.98 0.00 0.43 0.00 0.00 0.00 175.35 173.66 2jmb n SER 35 N -3.61 -3.24 0.01 0.03 7.64 -1.19 -4.81 113.62 108.45 2jmb n SER 35 Ca 0.07 0.26 -0.10 0.00 1.01 0.00 0.00 58.87 60.12 2jmb n SER 35 Cb 0.60 -2.79 -0.03 0.00 -1.01 0.00 0.00 64.21 60.97 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 -0.13 -2.53 -0.43 0.00 -1.57 -3.45 119.26 112.15 2jmb h ALA 36 Ca -0.23 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 2jmb h ALA 36 Cb 1.16 0.36 -0.18 0.00 0.00 0.00 0.00 17.79 19.13 2jmb h ALA 36 CO 0.27 -0.64 -0.23 0.71 0.00 0.00 0.00 179.25 179.36 2jmb s TYR 37 N -6.12 -0.15 -0.08 0.00 1.51 -1.25 -5.07 117.35 106.18 2jmb s TYR 37 Ca -0.15 0.09 -0.31 0.00 -1.01 0.00 0.00 57.07 55.70 2jmb s TYR 37 Cb 0.10 0.12 0.08 0.00 -0.11 0.00 0.00 41.96 42.15 2jmb s TYR 37 CO 0.67 -0.49 0.75 -0.65 -1.11 0.00 0.00 175.55 174.73 2jmb s GLN 38 N -2.22 0.95 0.00 -0.62 -0.21 -1.26 -2.00 119.66 114.30 2jmb s GLN 38 Ca -0.07 0.27 0.00 0.00 0.02 0.00 0.00 55.36 55.58 2jmb s GLN 38 Cb -0.02 0.45 0.00 0.00 1.00 0.00 0.00 33.01 34.44 2jmb s GLN 38 CO -0.01 -0.29 0.00 0.41 -2.12 0.00 0.00 175.29 173.28 2jmb n GLY 39 N 0.96 0.89 3.47 3.09 0.00 -1.09 -4.61 105.19 107.90 2jmb n GLY 39 Ca -0.17 0.43 -0.10 0.00 0.00 0.00 0.00 46.02 46.19 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 3.03 1.31 0.04 1.61 3.03 -1.26 -3.58 118.95 123.13 2jmb s ARG 40 Ca 0.00 -0.89 -0.00 0.00 2.03 0.00 0.00 55.73 56.86 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 -0.03 1.52 -1.13 0.00 0.00 175.30 175.12 2jmb s TYR 41 N -3.88 0.41 -0.12 5.89 -0.85 -1.26 -1.49 117.35 116.05 2jmb s TYR 41 Ca 0.10 -0.78 0.03 0.00 -0.52 0.00 0.00 57.07 55.90 2jmb s TYR 41 Cb 0.00 -0.30 0.01 0.00 0.38 0.00 0.00 41.96 42.05 2jmb s TYR 41 CO -0.04 -0.27 -0.23 -2.00 -1.52 0.00 0.00 175.55 171.50 2jmb s GLU 42 N -2.62 3.04 -0.17 -3.49 -6.30 -0.95 -4.22 118.70 103.99 2jmb s GLU 42 Ca -0.05 -0.86 -0.07 0.00 -2.50 0.00 0.00 54.97 51.49 2jmb s GLU 42 Cb -0.02 -2.38 -0.04 0.00 0.00 0.00 0.00 34.13 31.70 2jmb s GLU 42 CO -0.05 0.08 0.05 0.08 0.02 0.00 0.00 175.26 175.44 2jmb s VAL 43 N 0.59 4.72 -0.29 3.70 1.01 -1.26 -2.67 120.40 126.22 2jmb s VAL 43 Ca -0.13 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 2jmb s VAL 43 Cb -0.17 -3.11 0.11 0.00 0.00 0.00 0.00 36.38 33.22 2jmb s VAL 43 CO 0.03 0.49 0.19 -0.60 0.00 0.00 0.00 175.10 175.21 2jmb s ARG 44 N 0.18 0.24 -1.36 2.72 6.06 0.30 -4.87 118.95 122.21 2jmb s ARG 44 Ca 0.04 -0.36 -0.07 0.00 -2.50 0.00 0.00 55.73 52.83 2jmb s ARG 44 Cb -0.12 -0.99 0.02 0.00 0.06 0.00 0.00 34.95 33.91 2jmb s ARG 44 CO 0.01 -1.01 1.07 0.41 -2.50 0.00 0.00 175.30 173.28 2jmb n GLY 45 N 5.27 -0.48 2.70 8.12 0.00 -1.26 -1.08 105.19 118.46 2jmb n GLY 45 Ca -0.05 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -4.72 0.00 -2.69 4.61 0.00 -1.26 -4.96 120.51 111.49 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 0.59 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 -3.08 3.42 0.03 0.00 4.02 -0.24 0.10 115.29 119.54 2jmb s HIS 47 Ca 0.00 0.69 0.02 0.00 1.02 0.00 0.00 55.06 56.79 2jmb s HIS 47 Cb 0.00 -2.51 -0.02 0.00 -1.02 0.00 0.00 32.58 29.03 2jmb s HIS 47 CO 0.00 0.07 -0.06 -1.50 1.02 0.00 0.00 174.74 174.27 2jmb s ILE 48 N 1.02 0.42 0.02 0.60 -1.16 -0.18 0.11 121.20 122.03 2jmb s ILE 48 Ca 0.21 -0.92 0.03 0.00 -0.51 0.00 0.00 60.65 59.46 2jmb s ILE 48 Cb -0.15 -0.49 -0.01 0.00 0.61 0.00 0.00 42.46 42.42 2jmb s ILE 48 CO 0.08 -0.34 -0.10 0.20 -2.81 0.00 0.00 174.94 171.96 2jmb s ASN 49 N -1.35 1.21 -0.35 4.50 0.02 -1.09 0.20 114.94 118.07 2jmb s ASN 49 Ca -0.10 -0.33 -0.14 0.00 -1.02 0.00 0.00 52.86 51.27 2jmb s ASN 49 Cb -0.09 -0.08 -0.01 0.00 0.02 0.00 0.00 41.25 41.09 2jmb s ASN 49 CO 0.00 0.02 0.29 -0.31 0.02 0.00 0.00 177.10 177.13 2jmb s TYR 50 N -0.64 3.22 -0.68 2.20 2.02 0.69 -2.24 117.35 121.92 2jmb s TYR 50 Ca 0.00 -0.19 -0.06 0.00 -0.37 0.00 0.00 57.07 56.45 2jmb s TYR 50 Cb -0.06 -2.57 0.18 0.00 -0.40 0.00 0.00 41.96 39.11 2jmb s TYR 50 CO 0.00 -0.42 0.53 -0.46 -1.57 0.00 0.00 175.55 173.64 2jmb s TRP 51 N 1.83 3.50 0.78 2.71 -0.00 -0.56 0.60 118.94 127.81 2jmb s TRP 51 Ca 0.08 -2.52 -0.12 0.00 -0.00 0.00 0.00 56.10 53.54 2jmb s TRP 51 Cb -0.17 -3.37 0.06 0.00 -0.00 0.00 0.00 33.47 29.99 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 1.08 4.23 0.09 5.86 1.11 0.46 -4.09 116.67 125.40 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 -0.17 -2.54 0.68 0.00 1.07 0.00 0.00 42.92 41.95 2jmb s ASP 52 CO -0.05 -2.23 1.58 -0.67 1.18 0.00 0.00 175.17 174.99 2jmb n ASP 53 N -3.39 0.54 -1.51 0.27 -0.08 -1.26 -3.71 116.55 107.41 2jmb n ASP 53 Ca 0.10 0.23 -0.05 0.00 -1.51 0.00 0.00 54.79 53.57 2jmb n ASP 53 Cb 0.52 -0.19 0.17 0.00 2.34 0.00 0.00 41.12 43.95 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 -1.89 1.93 -1.71 5.18 5.66 -1.26 -4.85 114.28 117.35 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 -0.05 0.37 3.53 1.09 0.00 -1.24 -5.05 105.19 103.84 2jmb n GLY 55 Ca 0.25 -0.85 -0.26 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.11 2.39 -0.22 1.61 2.19 -1.25 -5.01 117.98 115.57 2jmb s PHE 56 Ca 0.00 -0.46 -0.26 0.00 0.33 0.00 0.00 56.93 56.54 2jmb s PHE 56 Cb 0.00 -1.30 0.07 0.00 -1.31 0.00 0.00 43.02 40.48 2jmb s PHE 56 CO 0.00 0.61 0.72 0.95 1.83 0.00 0.00 175.22 179.34 2jmb s THR 57 N -2.58 0.00 -0.05 0.12 -4.23 -1.25 -0.40 115.64 107.24 2jmb s THR 57 Ca 0.32 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.81 2jmb s THR 57 Cb 0.01 -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 0.10 0.00 -0.54 0.00 0.00 174.62 174.34 2jmb s ALA 58 N 0.00 0.05 0.39 3.99 0.00 0.20 -4.92 121.76 121.47 2jmb s ALA 58 Ca -0.02 0.36 -0.07 0.00 0.00 0.00 0.00 51.96 52.22 2jmb s ALA 58 Cb -0.04 -0.63 -0.05 0.00 0.00 0.00 0.00 23.12 22.39 2jmb s ALA 58 CO 0.03 -0.45 0.70 0.34 0.00 0.00 0.00 175.76 176.38 2jmb s ASP 59 N 2.03 6.44 0.13 0.00 2.15 -1.26 0.25 116.67 126.40 2jmb s ASP 59 Ca 0.02 0.94 -0.09 0.00 0.43 0.00 0.00 52.55 53.85 2jmb s ASP 59 Cb -0.12 -2.24 0.03 0.00 -0.30 0.00 0.00 42.92 40.29 2jmb s ASP 59 CO -0.04 -0.38 0.45 0.61 -0.17 0.00 0.00 175.17 175.65 2jmb n GLY 60 N -1.42 1.18 3.64 2.66 0.00 0.53 -2.44 105.19 109.34 2jmb n GLY 60 Ca 0.01 -1.07 -0.04 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.11 -0.53 -0.35 1.61 -4.77 0.27 -1.01 116.67 109.78 2jmb s ASP 61 Ca 0.10 0.89 -0.29 0.00 -3.30 0.00 0.00 52.55 49.95 2jmb s ASP 61 Cb -0.02 1.15 -0.01 0.00 -1.09 0.00 0.00 42.92 42.95 2jmb s ASP 61 CO 0.04 -0.14 1.66 -0.36 0.70 0.00 0.00 175.17 177.06 2jmb s PHE 62 N 1.10 2.02 -0.44 2.11 0.08 0.29 -2.37 117.98 120.77 2jmb s PHE 62 Ca -0.06 0.63 0.23 0.00 0.12 0.00 0.00 56.93 57.85 2jmb s PHE 62 Cb -0.04 -4.18 0.33 0.00 -0.57 0.00 0.00 43.02 38.55 2jmb s PHE 62 CO -0.13 -2.64 1.51 -0.39 -0.10 0.00 0.00 175.22 173.47 2jmb h VAL 63 N 6.65 0.00 -1.87 -0.44 -1.51 -1.87 -3.47 116.25 113.74 2jmb h VAL 63 Ca -0.32 -0.92 0.00 0.00 -1.23 0.00 0.00 66.70 64.23 2jmb h VAL 63 Cb 1.15 1.80 0.00 0.00 -2.13 0.00 0.00 31.29 32.11 2jmb h VAL 63 CO 1.05 0.00 0.00 -0.24 -1.23 0.00 0.00 177.57 177.15 2jmb n SER 64 N -2.88 0.00 0.07 4.19 2.88 -1.23 -4.99 113.62 111.66 2jmb n SER 64 Ca 0.03 -0.87 -0.03 0.00 -1.33 0.00 0.00 58.87 56.67 2jmb n SER 64 Cb 0.52 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.91 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 1.36 0.56 0.00 -1.46 0.00 -2.02 -3.36 119.26 114.34 2jmb h ALA 65 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.07 2jmb h ALA 65 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2jmb h ALA 65 CO 0.00 1.05 0.00 0.09 0.00 0.00 0.00 179.25 180.39 2jmb n ASN 66 N -3.19 0.85 -4.72 0.00 5.03 -1.26 -4.97 115.26 107.00 2jmb n ASN 66 Ca -0.04 -1.00 -0.32 0.00 0.87 0.00 0.00 54.58 54.10 2jmb n ASN 66 Cb 0.88 0.01 -0.08 0.00 -1.02 0.00 0.00 39.78 39.57 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 -0.01 2.80 0.01 3.52 2.12 -1.26 -0.93 118.70 124.96 2jmb s GLU 67 Ca 0.00 -0.66 0.04 0.00 0.36 0.00 0.00 54.97 54.71 2jmb s GLU 67 Cb 0.00 -2.69 -0.02 0.00 0.26 0.00 0.00 34.13 31.69 2jmb s GLU 67 CO 0.00 0.60 -0.13 -1.17 -0.54 0.00 0.00 175.26 174.02 2jmb s LEU 68 N -1.95 2.10 -0.25 2.70 1.98 0.38 -3.52 118.68 120.12 2jmb s LEU 68 Ca 0.24 -0.33 0.01 0.00 -2.89 0.00 0.00 54.13 51.15 2jmb s LEU 68 Cb -0.12 -0.60 0.07 0.00 0.66 0.00 0.00 46.19 46.20 2jmb s LEU 68 CO 0.15 0.09 -0.02 -1.00 -1.89 0.00 0.00 176.35 173.68 2jmb s HIS 69 N -0.57 2.40 -0.08 5.38 3.76 -1.00 -0.53 115.29 124.66 2jmb s HIS 69 Ca 0.03 -1.85 -0.07 0.00 -0.15 0.00 0.00 55.06 53.02 2jmb s HIS 69 Cb -0.06 -1.71 0.03 0.00 1.11 0.00 0.00 32.58 31.94 2jmb s HIS 69 CO 0.00 -0.80 0.22 -3.38 -0.85 0.00 0.00 174.74 169.93 2jmb s HIS 70 N 1.39 -0.25 -1.78 1.40 -3.43 -1.08 0.96 115.29 112.50 2jmb s HIS 70 Ca -0.02 0.61 0.00 0.00 -0.80 0.00 0.00 55.06 54.85 2jmb s HIS 70 Cb -0.19 0.07 0.00 0.00 -1.43 0.00 0.00 32.58 31.03 2jmb s HIS 70 CO -0.09 -0.14 0.00 0.41 -2.00 0.00 0.00 174.74 172.93 2jmb n GLY 71 N 3.25 1.18 2.04 -1.38 0.00 -1.02 -0.34 105.19 108.91 2jmb n GLY 71 Ca -0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 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 0.43 3.65 -0.02 0.00 -1.26 -5.05 105.19 102.48 2jmb n GLY 72 Ca -0.18 -0.96 -0.24 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.78 2.14 -0.30 1.61 1.00 0.54 -5.11 119.30 116.39 2jmb s MET 73 Ca 0.00 -1.69 0.01 0.00 0.00 0.00 0.00 55.69 54.01 2jmb s MET 73 Cb 0.00 -1.99 0.07 0.00 0.00 0.00 0.00 34.83 32.91 2jmb s MET 73 CO 0.00 0.15 -0.01 0.99 0.00 0.00 0.00 175.02 176.15 2jmb s THR 74 N -2.49 2.65 -0.17 2.05 2.01 -1.26 -2.62 115.64 115.82 2jmb s THR 74 Ca 0.35 -1.68 -0.03 0.00 0.31 0.00 0.00 61.69 60.64 2jmb s THR 74 Cb -0.01 -2.63 -0.02 0.00 0.01 0.00 0.00 72.50 69.85 2jmb s THR 74 CO 0.20 -0.21 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.50 2jmb s PHE 75 N 1.14 2.96 -0.00 4.92 0.08 0.31 -3.94 117.98 123.46 2jmb s PHE 75 Ca -0.03 -0.51 -0.01 0.00 0.12 0.00 0.00 56.93 56.50 2jmb s PHE 75 Cb -0.20 -1.98 -0.04 0.00 -0.57 0.00 0.00 43.02 40.24 2jmb s PHE 75 CO -0.04 -0.20 0.12 0.71 -0.10 0.00 0.00 175.22 175.72 2jmb s TYR 76 N 0.65 3.39 0.22 0.36 1.51 0.26 0.14 117.35 123.88 2jmb s TYR 76 Ca -0.03 0.26 -0.30 0.00 -1.01 0.00 0.00 57.07 55.99 2jmb s TYR 76 Cb -0.15 -1.77 -0.09 0.00 -0.11 0.00 0.00 41.96 39.85 2jmb s TYR 76 CO 0.02 0.59 1.17 0.50 -1.11 0.00 0.00 175.55 176.72 2jmb s ARG 77 N -1.86 4.54 0.00 -0.62 6.06 -0.10 0.10 118.95 127.06 2jmb s ARG 77 Ca 0.25 1.86 0.00 0.00 -2.50 0.00 0.00 55.73 55.34 2jmb s ARG 77 Cb -0.12 -3.22 0.00 0.00 0.06 0.00 0.00 34.95 31.67 2jmb s ARG 77 CO 0.16 0.01 0.00 -1.91 -2.50 0.00 0.00 175.30 171.06 2jmb n GLU 78 N 2.00 0.00 -0.61 5.12 0.00 0.68 -4.89 120.64 122.94 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