#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 2.15 -0.36 2.12 -2.07 -1.26 -4.96 119.66 115.28 2jmb s GLN 2 Ca 0.00 -1.53 0.02 0.00 -1.82 0.00 0.00 55.36 52.03 2jmb s GLN 2 Cb 0.00 -2.06 0.10 0.00 -1.09 0.00 0.00 33.01 29.96 2jmb s GLN 2 CO 0.00 0.32 0.09 -1.01 -1.32 0.00 0.00 175.29 173.37 2jmb s HIS 3 N -2.39 3.71 1.03 9.60 3.76 -1.26 -5.04 115.29 124.70 2jmb s HIS 3 Ca 0.32 -2.83 -0.15 0.00 -0.15 0.00 0.00 55.06 52.25 2jmb s HIS 3 Cb -0.05 -2.99 0.09 0.00 1.11 0.00 0.00 32.58 30.73 2jmb s HIS 3 CO 0.19 -0.95 0.32 -2.30 -0.85 0.00 0.00 174.74 171.14 2jmb n PRO 4 N 4.35 -0.97 0.00 8.40 -0.02 -1.26 -4.65 135.00 140.85 2jmb n PRO 4 Ca 0.02 -0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 2jmb n PRO 4 Cb 0.42 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 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 -4.05 -0.16 -1.95 6.00 4.02 -1.26 -4.96 117.16 114.80 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 0.57 0.11 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 -1.73 -6.92 0.00 -0.72 0.31 -1.25 -5.06 118.33 102.95 2jmb n VAL 6 Ca 0.00 2.85 0.00 0.00 -0.01 0.00 0.00 64.34 67.18 2jmb n VAL 6 Cb 0.00 -3.81 0.00 0.00 -0.91 0.00 0.00 33.84 29.12 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 0.72 3.65 3.36 2.92 0.00 -0.72 -4.88 105.19 110.25 2jmb n GLY 7 Ca 0.00 -0.51 -0.45 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.84 5.04 -0.50 -0.61 1.01 -1.26 0.14 121.20 123.18 2jmb s ILE 8 Ca 0.00 -1.47 -0.23 0.00 0.00 0.00 0.00 60.65 58.95 2jmb s ILE 8 Cb 0.00 -4.50 0.04 0.00 0.01 0.00 0.00 42.46 38.01 2jmb s ILE 8 CO 0.00 -1.11 0.83 0.26 0.00 0.00 0.00 174.94 174.91 2jmb s TRP 9 N 1.97 2.92 0.20 3.97 0.52 0.36 0.32 118.94 129.20 2jmb s TRP 9 Ca 0.14 -0.01 0.09 0.00 0.02 0.00 0.00 56.10 56.34 2jmb s TRP 9 Cb -0.20 -3.81 -0.04 0.00 -1.15 0.00 0.00 33.47 28.27 2jmb s TRP 9 CO 0.00 -1.14 -0.08 0.08 0.02 0.00 0.00 176.95 175.83 2jmb s VAL 10 N 3.46 3.20 1.27 4.03 1.01 0.12 0.36 120.40 133.86 2jmb s VAL 10 Ca 0.28 -1.74 -0.20 0.00 0.00 0.00 0.00 61.98 60.32 2jmb s VAL 10 Cb -0.13 -2.61 0.31 0.00 0.00 0.00 0.00 36.38 33.95 2jmb s VAL 10 CO 0.20 -0.17 1.03 0.42 0.00 0.00 0.00 175.10 176.57 2jmb s THR 11 N -1.86 1.51 -0.31 3.92 -4.23 -1.11 0.67 115.64 114.23 2jmb s THR 11 Ca 0.26 0.00 0.26 0.00 -1.18 0.00 0.00 61.69 61.03 2jmb s THR 11 Cb -0.08 -2.29 0.35 0.00 1.34 0.00 0.00 72.50 71.82 2jmb s THR 11 CO 0.16 0.00 1.71 0.00 -0.54 0.00 0.00 174.62 175.95 2jmb h ALA 12 N -2.88 1.00 0.00 3.99 0.00 -1.93 -3.27 119.26 116.16 2jmb h ALA 12 Ca -0.47 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.31 2jmb h ALA 12 Cb 1.32 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 2jmb h ALA 12 CO 0.35 0.00 -1.87 -3.47 0.00 0.00 0.00 179.25 174.26 2jmb n ASP 13 N -3.08 1.35 0.00 0.00 -0.08 -1.26 -5.01 116.55 108.47 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 0.47 1.31 0.00 0.00 2.34 0.00 0.00 41.12 45.24 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 1.83 0.89 0.12 0.27 0.00 -1.24 -4.97 105.19 102.10 2jmb n GLY 14 Ca -0.13 -0.46 -0.01 0.00 0.00 0.00 0.00 46.02 45.42 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 -4.29 1.61 -0.00 -1.95 -3.46 114.38 106.29 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 0.13 0.00 -0.16 0.00 -0.00 0.00 0.00 29.97 29.94 2jmb h ARG 15 CO 0.00 0.69 -0.69 0.96 -0.00 0.00 0.00 179.97 180.93 2jmb s ILE 16 N -3.17 0.30 0.01 0.08 -5.25 -1.26 -3.04 121.20 108.87 2jmb s ILE 16 Ca 0.01 -1.69 0.01 0.00 -0.99 0.00 0.00 60.65 57.98 2jmb s ILE 16 Cb 0.10 -1.36 -0.01 0.00 2.95 0.00 0.00 42.46 44.15 2jmb s ILE 16 CO 0.77 -0.89 -0.03 -0.60 -1.79 0.00 0.00 174.94 172.40 2jmb s ARG 17 N -3.51 0.21 -0.19 0.37 3.52 -0.76 -2.74 118.95 115.84 2jmb s ARG 17 Ca 0.04 -0.23 -0.01 0.00 -0.13 0.00 0.00 55.73 55.41 2jmb s ARG 17 Cb 0.05 -0.10 0.05 0.00 -1.56 0.00 0.00 34.95 33.38 2jmb s ARG 17 CO -0.08 0.02 -0.02 -1.14 -0.81 0.00 0.00 175.30 173.28 2jmb s GLN 18 N -0.44 1.18 -0.19 5.12 0.74 0.16 0.13 119.66 126.37 2jmb s GLN 18 Ca -0.03 -0.61 -0.15 0.00 0.05 0.00 0.00 55.36 54.62 2jmb s GLN 18 Cb -0.03 -2.19 -0.04 0.00 1.10 0.00 0.00 33.01 31.84 2jmb s GLN 18 CO -0.00 -0.56 0.35 -2.00 -0.55 0.00 0.00 175.29 172.54 2jmb s GLU 19 N 1.65 4.21 -0.37 1.67 2.12 0.25 0.14 118.70 128.36 2jmb s GLU 19 Ca -0.02 0.15 -0.20 0.00 0.36 0.00 0.00 54.97 55.27 2jmb s GLU 19 Cb -0.17 -3.49 0.00 0.00 0.26 0.00 0.00 34.13 30.73 2jmb s GLU 19 CO -0.07 0.07 0.59 -0.51 -0.54 0.00 0.00 175.26 174.80 2jmb s LEU 20 N 0.98 4.34 0.73 2.70 1.43 0.37 0.74 118.68 129.97 2jmb s LEU 20 Ca 0.18 -0.01 -0.13 0.00 -1.03 0.00 0.00 54.13 53.13 2jmb s LEU 20 Cb -0.14 -2.70 0.04 0.00 0.03 0.00 0.00 46.19 43.42 2jmb s LEU 20 CO 0.07 -0.58 1.13 -0.76 0.23 0.00 0.00 176.35 176.43 2jmb s LEU 21 N 2.60 3.23 0.48 1.79 1.02 0.40 -1.75 118.68 126.44 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 1.63 0.00 0.02 0.00 0.00 46.19 43.14 2jmb s LEU 21 CO 0.15 -2.02 1.98 -0.65 0.02 0.00 0.00 176.35 175.83 2jmb h PRO 22 N -0.52 0.00 -0.78 1.29 0.11 -1.96 -1.74 132.00 128.40 2jmb h PRO 22 Ca -0.46 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.52 2jmb h PRO 22 Cb 1.25 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.28 2jmb h PRO 22 CO 0.51 0.00 0.17 0.27 -0.21 0.00 0.00 178.00 178.74 2jmb n ASN 23 N -2.70 4.41 -2.55 -2.05 6.94 -1.26 -4.89 115.26 113.15 2jmb n ASN 23 Ca -0.01 -2.92 -0.10 0.00 -0.02 0.00 0.00 54.58 51.53 2jmb n ASN 23 Cb 0.13 -0.69 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 0.07 -0.18 3.33 4.83 0.00 -0.66 -4.89 105.19 107.69 2jmb n GLY 24 Ca 0.30 0.02 -0.19 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.83 0.49 -4.04 1.61 5.12 -1.17 -4.45 116.66 111.38 2jmb n ARG 25 Ca -0.13 -3.30 -0.12 0.00 -1.93 0.00 0.00 57.85 52.37 2jmb n ARG 25 Cb 0.60 2.80 -0.12 0.00 -1.16 0.00 0.00 32.46 34.58 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 -3.26 0.54 -0.21 -1.55 -0.85 -1.23 0.15 117.35 110.94 2jmb s TYR 26 Ca 0.38 -0.48 -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 42.12 2jmb s TYR 26 CO 0.27 -0.10 0.28 -0.51 -1.52 0.00 0.00 175.55 173.96 2jmb s ASP 27 N -1.44 0.91 -0.15 -0.18 1.11 0.23 -2.60 116.67 114.55 2jmb s ASP 27 Ca -0.11 0.00 -0.06 0.00 0.18 0.00 0.00 52.55 52.56 2jmb s ASP 27 Cb -0.09 0.65 -0.04 0.00 1.07 0.00 0.00 42.92 44.51 2jmb s ASP 27 CO 0.00 -0.31 0.06 -0.70 1.18 0.00 0.00 175.17 175.40 2jmb s GLU 28 N 2.41 3.66 -0.31 8.23 2.12 -0.86 0.84 118.70 134.78 2jmb s GLU 28 Ca 0.08 -0.31 0.02 0.00 0.36 0.00 0.00 54.97 55.12 2jmb s GLU 28 Cb -0.15 -3.12 0.08 0.00 0.26 0.00 0.00 34.13 31.20 2jmb s GLU 28 CO -0.13 0.47 0.01 0.00 -0.54 0.00 0.00 175.26 175.06 2jmb s ALA 29 N -0.18 2.80 -0.43 6.30 0.00 0.35 -2.20 121.76 128.41 2jmb s ALA 29 Ca 0.08 -2.15 -0.15 0.00 0.00 0.00 0.00 51.96 49.74 2jmb s ALA 29 Cb -0.12 -1.89 0.04 0.00 0.00 0.00 0.00 23.12 21.15 2jmb s ALA 29 CO 0.01 -1.47 0.33 1.03 0.00 0.00 0.00 175.76 175.67 2jmb s ARG 30 N 1.05 2.96 2.81 0.00 0.52 -0.99 -1.83 118.95 123.48 2jmb s ARG 30 Ca 0.01 -1.16 0.00 0.00 -0.52 0.00 0.00 55.73 54.06 2jmb s ARG 30 Cb -0.20 -4.03 0.00 0.00 0.52 0.00 0.00 34.95 31.24 2jmb s ARG 30 CO -0.05 -0.86 0.00 0.41 0.02 0.00 0.00 175.30 174.82 2jmb n GLY 31 N 5.17 1.13 0.34 -3.53 0.00 -1.17 -1.57 105.19 105.55 2jmb n GLY 31 Ca -0.12 -0.57 0.19 0.00 0.00 0.00 0.00 46.02 45.52 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 6.08 0.00 -2.68 1.61 -0.73 -1.94 -3.27 115.58 114.64 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 1.03 -1.14 -0.37 0.00 0.00 177.43 176.95 2jmb n ARG 33 N -3.29 3.44 -1.97 6.67 3.00 -0.61 -5.02 116.66 118.88 2jmb n ARG 33 Ca -0.01 -4.08 -0.28 0.00 -0.00 0.00 0.00 57.85 53.48 2jmb n ARG 33 Cb 0.24 -2.86 0.08 0.00 0.00 0.00 0.00 32.46 29.92 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 0.49 2.10 -1.06 -0.14 0.00 -1.24 -2.36 119.74 117.53 2jmb s LYS 34 Ca 0.38 0.06 0.00 0.00 0.00 0.00 0.00 55.97 56.41 2jmb s LYS 34 Cb -0.05 -2.01 0.00 0.00 0.00 0.00 0.00 37.83 35.77 2jmb s LYS 34 CO -0.03 -1.46 0.00 0.43 0.00 0.00 0.00 175.35 174.29 2jmb n SER 35 N -3.19 -3.89 -0.16 0.03 7.64 -1.10 -4.83 113.62 108.12 2jmb n SER 35 Ca 0.08 0.20 -0.02 0.00 1.01 0.00 0.00 58.87 60.13 2jmb n SER 35 Cb 0.61 -3.31 0.07 0.00 -1.01 0.00 0.00 64.21 60.56 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 0.99 0.59 -2.73 -0.43 0.00 -1.56 -3.44 119.26 112.69 2jmb h ALA 36 Ca -0.29 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 2jmb h ALA 36 Cb 1.20 0.10 -0.23 0.00 0.00 0.00 0.00 17.79 18.86 2jmb h ALA 36 CO 0.35 -0.27 -0.25 0.71 0.00 0.00 0.00 179.25 179.78 2jmb s TYR 37 N -6.13 -0.39 -0.02 0.00 1.51 -1.25 -5.07 117.35 105.99 2jmb s TYR 37 Ca -0.13 0.92 -0.19 0.00 -1.01 0.00 0.00 57.07 56.66 2jmb s TYR 37 Cb 0.15 0.14 0.03 0.00 -0.11 0.00 0.00 41.96 42.18 2jmb s TYR 37 CO 0.73 -0.24 0.40 -0.65 -1.11 0.00 0.00 175.55 174.67 2jmb s GLN 38 N -0.07 0.76 0.00 -0.62 1.11 -1.26 -2.03 119.66 117.54 2jmb s GLN 38 Ca -0.02 -0.07 0.00 0.00 0.01 0.00 0.00 55.36 55.27 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 0.01 -0.22 0.00 0.41 0.01 0.00 0.00 175.29 175.51 2jmb n GLY 39 N 1.20 0.98 3.46 3.09 0.00 -1.07 -4.59 105.19 108.26 2jmb n GLY 39 Ca -0.21 0.41 -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 3.07 1.30 0.05 1.61 1.70 -1.26 -3.55 118.95 121.88 2jmb s ARG 40 Ca 0.00 -0.88 0.00 0.00 -0.47 0.00 0.00 55.73 54.38 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 -0.54 -0.05 1.52 -1.08 0.00 0.00 175.30 175.16 2jmb s TYR 41 N -3.88 0.56 -0.12 5.89 1.13 -1.26 -1.34 117.35 118.33 2jmb s TYR 41 Ca 0.09 -0.80 0.03 0.00 -1.41 0.00 0.00 57.07 54.98 2jmb s TYR 41 Cb 0.00 -0.37 0.01 0.00 -1.10 0.00 0.00 41.96 40.50 2jmb s TYR 41 CO -0.04 -0.23 -0.22 -2.00 -2.51 0.00 0.00 175.55 170.55 2jmb s GLU 42 N -2.88 2.96 -0.17 -3.49 -6.30 -0.88 -4.30 118.70 103.64 2jmb s GLU 42 Ca -0.01 -0.84 -0.06 0.00 -2.50 0.00 0.00 54.97 51.56 2jmb s GLU 42 Cb -0.00 -2.33 -0.04 0.00 0.00 0.00 0.00 34.13 31.76 2jmb s GLU 42 CO -0.05 0.07 0.03 0.08 0.02 0.00 0.00 175.26 175.41 2jmb s VAL 43 N 0.62 4.54 -0.31 3.70 1.01 -1.26 -2.55 120.40 126.15 2jmb s VAL 43 Ca -0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 2jmb s VAL 43 Cb -0.17 -3.02 0.12 0.00 0.00 0.00 0.00 36.38 33.31 2jmb s VAL 43 CO 0.03 0.48 0.18 -0.60 0.00 0.00 0.00 175.10 175.19 2jmb s ARG 44 N 0.24 0.32 -1.27 2.72 3.00 0.29 -4.87 118.95 119.38 2jmb s ARG 44 Ca 0.02 -0.71 -0.05 0.00 -1.00 0.00 0.00 55.73 53.99 2jmb s ARG 44 Cb -0.13 -1.12 0.01 0.00 0.00 0.00 0.00 34.95 33.71 2jmb s ARG 44 CO 0.01 -1.08 1.09 0.41 0.00 0.00 0.00 175.30 175.73 2jmb n GLY 45 N 4.89 -0.45 2.68 8.12 0.00 -1.26 -1.52 105.19 117.66 2jmb n GLY 45 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -4.61 0.00 -2.67 4.61 0.00 -1.26 -4.96 120.51 111.62 2jmb n ALA 46 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.95 2jmb n ALA 46 Cb 0.60 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.98 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 -3.12 3.37 0.04 0.00 4.02 -0.58 0.83 115.29 119.86 2jmb s HIS 47 Ca 0.00 0.65 0.03 0.00 1.02 0.00 0.00 55.06 56.75 2jmb s HIS 47 Cb 0.00 -2.56 -0.02 0.00 -1.02 0.00 0.00 32.58 28.98 2jmb s HIS 47 CO 0.00 -0.04 -0.09 -1.50 1.02 0.00 0.00 174.74 174.13 2jmb s ILE 48 N 1.40 0.68 0.02 0.60 -1.16 -0.52 0.11 121.20 122.32 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 -1.35 1.09 -0.34 4.50 0.01 -1.06 0.21 114.94 117.99 2jmb s ASN 49 Ca -0.06 -0.33 -0.14 0.00 -0.71 0.00 0.00 52.86 51.63 2jmb s ASN 49 Cb -0.09 -0.07 -0.01 0.00 0.41 0.00 0.00 41.25 41.49 2jmb s ASN 49 CO 0.01 0.00 0.27 -0.31 -1.51 0.00 0.00 177.10 175.56 2jmb s TYR 50 N -0.66 3.22 -0.68 2.20 2.02 0.66 -2.07 117.35 122.04 2jmb s TYR 50 Ca -0.01 -0.19 -0.06 0.00 -0.37 0.00 0.00 57.07 56.45 2jmb s TYR 50 Cb -0.06 -2.53 0.18 0.00 -0.40 0.00 0.00 41.96 39.15 2jmb s TYR 50 CO 0.00 -0.39 0.53 -0.46 -1.57 0.00 0.00 175.55 173.67 2jmb s TRP 51 N 1.79 3.50 0.79 2.71 -0.00 -0.45 0.50 118.94 127.77 2jmb s TRP 51 Ca 0.07 -2.53 -0.11 0.00 -0.00 0.00 0.00 56.10 53.53 2jmb s TRP 51 Cb -0.17 -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 1.12 -0.51 -0.00 0.00 0.00 176.95 176.79 2jmb s ASP 52 N 1.05 4.15 0.09 5.86 1.11 0.34 -4.06 116.67 125.21 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 0.68 0.00 1.07 0.00 0.00 42.92 41.95 2jmb s ASP 52 CO -0.05 -2.28 1.57 0.47 1.18 0.00 0.00 175.17 176.07 2jmb n ASP 53 N -3.47 0.53 -1.51 0.27 8.00 -1.26 -3.71 116.55 115.40 2jmb n ASP 53 Ca 0.10 0.22 -0.05 0.00 0.71 0.00 0.00 54.79 55.77 2jmb n ASP 53 Cb 0.52 -0.17 0.16 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 1.94 -1.66 -3.53 5.66 -1.26 -4.85 114.28 108.71 2jmb n THR 54 Ca 0.05 -0.96 -0.02 0.00 -3.05 0.00 0.00 64.05 60.07 2jmb n THR 54 Cb 0.39 -0.54 -0.00 0.00 -1.55 0.00 0.00 70.33 68.62 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 -0.06 0.39 3.56 1.09 0.00 -1.24 -5.05 105.19 103.86 2jmb n GLY 55 Ca 0.26 -0.87 -0.25 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 -2.10 2.43 -0.22 1.61 2.19 -1.25 -5.01 117.98 115.62 2jmb s PHE 56 Ca 0.00 -0.45 -0.27 0.00 0.33 0.00 0.00 56.93 56.54 2jmb s PHE 56 Cb 0.00 -1.35 0.08 0.00 -1.31 0.00 0.00 43.02 40.44 2jmb s PHE 56 CO 0.00 0.58 0.75 0.95 1.83 0.00 0.00 175.22 179.33 2jmb s THR 57 N -2.57 0.00 -0.07 0.12 -4.23 -1.25 -0.50 115.64 107.14 2jmb s THR 57 Ca 0.33 0.00 -0.03 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 72.89 2jmb s THR 57 CO 0.17 0.00 0.14 0.00 -0.54 0.00 0.00 174.62 174.39 2jmb s ALA 58 N -0.05 -0.10 0.37 3.99 0.00 0.18 -4.93 121.76 121.22 2jmb s ALA 58 Ca -0.02 0.50 -0.06 0.00 0.00 0.00 0.00 51.96 52.38 2jmb s ALA 58 Cb -0.04 -0.72 -0.05 0.00 0.00 0.00 0.00 23.12 22.32 2jmb s ALA 58 CO 0.03 -0.48 0.67 0.16 0.00 0.00 0.00 175.76 176.14 2jmb s ASP 59 N 2.08 6.42 0.05 0.00 1.47 -1.26 0.24 116.67 125.67 2jmb s ASP 59 Ca 0.01 0.87 -0.03 0.00 1.18 0.00 0.00 52.55 54.59 2jmb s ASP 59 Cb -0.12 -2.21 0.01 0.00 -0.34 0.00 0.00 42.92 40.26 2jmb s ASP 59 CO -0.05 -0.35 0.15 0.61 0.68 0.00 0.00 175.17 176.21 2jmb n GLY 60 N -1.40 1.56 3.64 2.12 0.00 0.55 -3.41 105.19 108.26 2jmb n GLY 60 Ca -0.00 -1.01 -0.05 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.52 -0.39 1.61 -4.77 0.17 -1.44 116.67 109.96 2jmb s ASP 61 Ca 0.03 0.88 -0.29 0.00 -3.30 0.00 0.00 52.55 49.88 2jmb s ASP 61 Cb -0.01 1.09 0.00 0.00 -1.09 0.00 0.00 42.92 42.92 2jmb s ASP 61 CO 0.02 -0.14 1.48 -0.36 0.70 0.00 0.00 175.17 176.87 2jmb s PHE 62 N 0.95 2.29 -0.46 2.11 0.08 0.24 -2.27 117.98 120.93 2jmb s PHE 62 Ca -0.05 0.67 0.23 0.00 0.12 0.00 0.00 56.93 57.91 2jmb s PHE 62 Cb -0.04 -4.25 0.35 0.00 -0.57 0.00 0.00 43.02 38.50 2jmb s PHE 62 CO -0.12 -2.18 1.52 -0.39 -0.10 0.00 0.00 175.22 173.94 2jmb h VAL 63 N 6.50 0.00 -1.88 -0.44 -1.51 -1.88 -3.47 116.25 113.57 2jmb h VAL 63 Ca -0.29 -0.90 0.00 0.00 -1.23 0.00 0.00 66.70 64.29 2jmb h VAL 63 Cb 1.12 1.78 0.00 0.00 -2.13 0.00 0.00 31.29 32.06 2jmb h VAL 63 CO 1.07 0.00 0.00 -0.24 -1.23 0.00 0.00 177.57 177.17 2jmb n SER 64 N -2.85 0.00 0.06 4.19 2.88 -1.24 -4.99 113.62 111.67 2jmb n SER 64 Ca 0.03 -0.88 -0.03 0.00 -1.33 0.00 0.00 58.87 56.66 2jmb n SER 64 Cb 0.51 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.90 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 1.37 0.58 0.00 -1.46 0.00 -2.02 -3.36 119.26 114.37 2jmb h ALA 65 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.06 2jmb h ALA 65 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 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 -3.16 1.02 -4.68 0.00 5.03 -1.26 -4.97 115.26 107.24 2jmb n ASN 66 Ca -0.04 -1.17 -0.30 0.00 0.87 0.00 0.00 54.58 53.93 2jmb n ASN 66 Cb 0.88 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 39.56 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 -0.17 2.53 0.02 3.52 2.12 -1.26 -0.99 118.70 124.46 2jmb s GLU 67 Ca 0.00 -0.84 0.03 0.00 0.36 0.00 0.00 54.97 54.52 2jmb s GLU 67 Cb 0.00 -2.53 -0.01 0.00 0.26 0.00 0.00 34.13 31.84 2jmb s GLU 67 CO 0.00 0.54 -0.10 -1.17 -0.54 0.00 0.00 175.26 173.99 2jmb s LEU 68 N -2.28 2.10 -0.25 2.70 1.98 0.33 -3.65 118.68 119.61 2jmb s LEU 68 Ca 0.25 -0.31 0.01 0.00 -2.89 0.00 0.00 54.13 51.19 2jmb s LEU 68 Cb -0.12 -0.42 0.07 0.00 0.66 0.00 0.00 46.19 46.38 2jmb s LEU 68 CO 0.18 0.02 -0.02 -1.00 -1.89 0.00 0.00 176.35 173.64 2jmb s HIS 69 N -0.59 2.37 -0.17 5.38 3.76 -0.96 -0.56 115.29 124.52 2jmb s HIS 69 Ca 0.00 -1.83 -0.14 0.00 -0.15 0.00 0.00 55.06 52.95 2jmb s HIS 69 Cb -0.06 -1.70 0.05 0.00 1.11 0.00 0.00 32.58 31.98 2jmb s HIS 69 CO 0.00 -0.80 0.43 -3.38 -0.85 0.00 0.00 174.74 170.15 2jmb s HIS 70 N 1.40 -0.52 -0.50 1.40 -3.43 -1.15 0.42 115.29 112.91 2jmb s HIS 70 Ca -0.02 1.20 0.00 0.00 -0.80 0.00 0.00 55.06 55.44 2jmb s HIS 70 Cb -0.19 0.20 0.00 0.00 -1.43 0.00 0.00 32.58 31.16 2jmb s HIS 70 CO -0.09 -0.26 0.00 0.41 -2.00 0.00 0.00 174.74 172.80 2jmb n GLY 71 N 3.23 0.59 1.58 -1.38 0.00 -1.22 -1.81 105.19 106.16 2jmb n GLY 71 Ca -0.16 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.49 0.51 3.64 -0.02 0.00 -1.26 -5.06 105.19 102.51 2jmb n GLY 72 Ca -0.05 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.61 1.99 -0.31 1.61 -2.45 -0.75 -5.12 119.30 112.65 2jmb s MET 73 Ca 0.00 -2.15 -0.00 0.00 -1.25 0.00 0.00 55.69 52.29 2jmb s MET 73 Cb 0.00 -1.57 0.07 0.00 1.25 0.00 0.00 34.83 34.57 2jmb s MET 73 CO 0.00 -0.12 0.00 0.99 1.05 0.00 0.00 175.02 176.95 2jmb s THR 74 N -2.77 2.74 -0.19 10.11 2.01 -1.26 -2.95 115.64 123.34 2jmb s THR 74 Ca 0.30 -1.64 -0.06 0.00 0.31 0.00 0.00 61.69 60.60 2jmb s THR 74 Cb 0.08 -2.67 -0.03 0.00 0.01 0.00 0.00 72.50 69.89 2jmb s THR 74 CO 0.15 -0.21 0.03 -0.36 -0.69 0.00 0.00 174.62 173.54 2jmb s PHE 75 N 1.16 3.14 0.02 4.92 0.08 0.27 -3.72 117.98 123.85 2jmb s PHE 75 Ca -0.03 -0.16 -0.01 0.00 0.12 0.00 0.00 56.93 56.86 2jmb s PHE 75 Cb -0.20 -2.07 -0.04 0.00 -0.57 0.00 0.00 43.02 40.14 2jmb s PHE 75 CO -0.03 -0.02 0.13 0.71 -0.10 0.00 0.00 175.22 175.91 2jmb s TYR 76 N 0.64 3.39 0.05 0.36 1.51 0.21 0.12 117.35 123.64 2jmb s TYR 76 Ca 0.01 0.24 -0.30 0.00 -1.01 0.00 0.00 57.07 56.01 2jmb s TYR 76 Cb -0.14 -1.75 -0.05 0.00 -0.11 0.00 0.00 41.96 39.91 2jmb s TYR 76 CO 0.02 0.58 1.14 0.50 -1.11 0.00 0.00 175.55 176.68 2jmb s ARG 77 N -2.03 4.48 0.00 -0.62 6.06 -0.16 0.10 118.95 126.78 2jmb s ARG 77 Ca 0.27 1.68 0.00 0.00 -2.50 0.00 0.00 55.73 55.18 2jmb s ARG 77 Cb -0.12 -3.37 0.00 0.00 0.06 0.00 0.00 34.95 31.52 2jmb s ARG 77 CO 0.19 -0.18 0.00 -1.91 -2.50 0.00 0.00 175.30 170.90 2jmb n GLU 78 N 3.81 0.00 -0.59 5.12 2.13 0.96 -4.92 120.64 127.14 2jmb n GLU 78 Ca 0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.90 2jmb n GLU 78 Cb 0.47 -0.82 0.00 0.00 0.27 0.00 0.00 31.44 31.36 2jmb n GLU 78 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35