#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 2.99 -0.17 2.12 -0.21 -1.26 -4.78 119.66 118.35 2jmb s GLN 2 Ca 0.00 -0.54 -0.05 0.00 0.02 0.00 0.00 55.36 54.79 2jmb s GLN 2 Cb 0.00 -2.55 0.06 0.00 1.00 0.00 0.00 33.01 31.52 2jmb s GLN 2 CO 0.00 -0.33 0.09 -1.01 -2.12 0.00 0.00 175.29 171.91 2jmb s HIS 3 N -2.58 0.24 1.00 0.91 3.76 -1.26 -4.98 115.29 112.38 2jmb s HIS 3 Ca 0.50 -0.33 -0.12 0.00 -0.15 0.00 0.00 55.06 54.96 2jmb s HIS 3 Cb -0.10 -0.71 0.15 0.00 1.11 0.00 0.00 32.58 33.04 2jmb s HIS 3 CO 0.38 -0.51 0.87 -2.30 -0.85 0.00 0.00 174.74 172.33 2jmb n PRO 4 N 5.26 -0.96 0.00 8.40 -0.02 -1.26 -4.64 135.00 141.79 2jmb n PRO 4 Ca -0.07 -0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.18 2jmb n PRO 4 Cb 0.49 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 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 -4.30 -0.16 -1.89 6.00 4.02 -1.26 -4.95 117.16 114.62 2jmb n TYR 5 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.97 2jmb n TYR 5 Cb 0.54 0.12 0.00 0.00 -0.02 0.00 0.00 39.34 39.98 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 -6.07 0.00 -0.72 0.31 -1.25 -5.06 118.33 103.79 2jmb n VAL 6 Ca 0.00 2.70 0.00 0.00 -0.01 0.00 0.00 64.34 67.03 2jmb n VAL 6 Cb 0.00 -3.55 0.00 0.00 -0.91 0.00 0.00 33.84 29.38 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 3.86 3.38 2.92 0.00 -0.63 -4.88 105.19 110.42 2jmb n GLY 7 Ca 0.00 -0.55 -0.45 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.67 4.90 -0.49 -0.61 1.01 -1.26 0.14 121.20 123.21 2jmb s ILE 8 Ca 0.00 -1.28 -0.22 0.00 0.00 0.00 0.00 60.65 59.15 2jmb s ILE 8 Cb 0.00 -4.54 0.04 0.00 0.01 0.00 0.00 42.46 37.97 2jmb s ILE 8 CO 0.00 -1.19 0.77 0.26 0.00 0.00 0.00 174.94 174.78 2jmb s TRP 9 N 2.37 2.96 0.20 3.97 0.52 0.30 0.23 118.94 129.48 2jmb s TRP 9 Ca 0.16 -0.11 0.09 0.00 0.02 0.00 0.00 56.10 56.26 2jmb s TRP 9 Cb -0.19 -3.70 -0.04 0.00 -1.15 0.00 0.00 33.47 28.39 2jmb s TRP 9 CO 0.02 -1.09 -0.07 0.08 0.02 0.00 0.00 176.95 175.90 2jmb s VAL 10 N 3.24 3.26 1.21 4.03 1.01 0.97 -0.11 120.40 134.02 2jmb s VAL 10 Ca 0.25 -1.70 -0.18 0.00 0.00 0.00 0.00 61.98 60.35 2jmb s VAL 10 Cb -0.14 -2.64 0.29 0.00 0.00 0.00 0.00 36.38 33.88 2jmb s VAL 10 CO 0.18 -0.16 1.07 0.42 0.00 0.00 0.00 175.10 176.61 2jmb s THR 11 N -1.83 1.62 -0.34 3.92 -4.23 -1.12 0.69 115.64 114.34 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 -2.38 0.35 0.00 1.34 0.00 0.00 72.50 71.73 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 -2.66 1.00 0.00 3.99 0.00 -1.94 -3.25 119.26 116.41 2jmb h ALA 12 Ca -0.48 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 2jmb h ALA 12 Cb 1.31 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 2jmb h ALA 12 CO 0.38 0.00 -1.92 -0.25 0.00 0.00 0.00 179.25 177.46 2jmb n ASP 13 N -3.01 0.91 0.00 0.00 9.92 -1.26 -5.00 116.55 118.11 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 0.46 1.54 0.00 0.00 -0.64 0.00 0.00 41.12 42.48 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 1.64 0.66 0.21 0.44 0.00 -1.23 -4.95 105.19 101.96 2jmb n GLY 14 Ca -0.11 -0.63 0.09 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.67 1.61 -0.00 -1.95 -3.45 114.38 106.92 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 0.02 0.00 -0.16 0.00 -0.00 0.00 0.00 29.97 29.83 2jmb h ARG 15 CO 0.00 0.27 -0.39 0.96 -0.00 0.00 0.00 179.97 180.80 2jmb s ILE 16 N -3.58 0.12 -0.02 0.08 -5.25 -1.26 -3.69 121.20 107.60 2jmb s ILE 16 Ca 0.01 -1.02 0.00 0.00 -0.99 0.00 0.00 60.65 58.66 2jmb s ILE 16 Cb 0.10 -1.07 0.02 0.00 2.95 0.00 0.00 42.46 44.46 2jmb s ILE 16 CO 0.65 -0.56 0.01 -0.60 -1.79 0.00 0.00 174.94 172.65 2jmb s ARG 17 N -3.04 0.19 -0.23 0.37 3.52 -1.02 -2.80 118.95 115.94 2jmb s ARG 17 Ca -0.01 0.08 0.02 0.00 -0.13 0.00 0.00 55.73 55.69 2jmb s ARG 17 Cb 0.01 -0.37 0.04 0.00 -1.56 0.00 0.00 34.95 33.07 2jmb s ARG 17 CO -0.07 -0.12 -0.13 -1.14 -0.81 0.00 0.00 175.30 173.03 2jmb s GLN 18 N 0.88 2.60 -0.18 5.12 0.74 0.85 0.10 119.66 129.77 2jmb s GLN 18 Ca -0.08 -1.11 -0.15 0.00 0.05 0.00 0.00 55.36 54.06 2jmb s GLN 18 Cb -0.12 -2.79 -0.04 0.00 1.10 0.00 0.00 33.01 31.16 2jmb s GLN 18 CO -0.02 -0.42 0.37 -2.00 -0.55 0.00 0.00 175.29 172.68 2jmb s GLU 19 N 1.20 4.22 -0.38 1.67 2.12 0.30 0.11 118.70 127.93 2jmb s GLU 19 Ca -0.03 0.19 -0.20 0.00 0.36 0.00 0.00 54.97 55.30 2jmb s GLU 19 Cb -0.17 -3.49 0.01 0.00 0.26 0.00 0.00 34.13 30.74 2jmb s GLU 19 CO -0.08 0.07 0.60 -0.51 -0.54 0.00 0.00 175.26 174.80 2jmb s LEU 20 N 0.96 4.38 0.74 2.70 1.43 0.37 0.76 118.68 130.02 2jmb s LEU 20 Ca 0.19 -0.09 -0.13 0.00 -1.03 0.00 0.00 54.13 53.07 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 -0.63 1.14 -0.76 0.23 0.00 0.00 176.35 176.40 2jmb s LEU 21 N 2.64 3.21 0.48 1.79 1.02 0.39 -1.60 118.68 126.62 2jmb s LEU 21 Ca 0.22 2.08 0.32 0.00 0.02 0.00 0.00 54.13 56.78 2jmb s LEU 21 Cb -0.15 -4.56 1.64 0.00 0.02 0.00 0.00 46.19 43.14 2jmb s LEU 21 CO 0.16 -2.10 1.98 -0.65 0.02 0.00 0.00 176.35 175.76 2jmb h PRO 22 N -0.59 0.00 -0.78 1.29 0.11 -1.96 -1.75 132.00 128.32 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 1.26 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.28 2jmb h PRO 22 CO 0.50 0.00 0.18 0.27 -0.21 0.00 0.00 178.00 178.75 2jmb n ASN 23 N -2.70 4.41 -2.57 -2.05 6.94 -1.26 -4.89 115.26 113.14 2jmb n ASN 23 Ca -0.01 -2.94 -0.10 0.00 -0.02 0.00 0.00 54.58 51.51 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 0.05 -0.17 3.31 4.83 0.00 -0.66 -4.89 105.19 107.66 2jmb n GLY 24 Ca 0.31 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.88 0.46 -4.04 1.61 5.12 -1.18 -4.45 116.66 111.30 2jmb n ARG 25 Ca -0.14 -3.34 -0.12 0.00 -1.93 0.00 0.00 57.85 52.32 2jmb n ARG 25 Cb 0.60 2.80 -0.11 0.00 -1.16 0.00 0.00 32.46 34.59 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 -3.30 0.55 -0.20 -1.55 -0.85 -1.23 0.15 117.35 110.91 2jmb s TYR 26 Ca 0.39 -0.48 -0.04 0.00 -0.52 0.00 0.00 57.07 56.42 2jmb s TYR 26 Cb 0.02 -0.34 0.10 0.00 0.38 0.00 0.00 41.96 42.12 2jmb s TYR 26 CO 0.28 -0.11 0.28 -0.51 -1.52 0.00 0.00 175.55 173.98 2jmb s ASP 27 N -1.45 0.75 -0.15 -0.18 1.11 0.23 -2.51 116.67 114.47 2jmb s ASP 27 Ca -0.11 0.14 -0.06 0.00 0.18 0.00 0.00 52.55 52.71 2jmb s ASP 27 Cb -0.09 0.70 -0.04 0.00 1.07 0.00 0.00 42.92 44.56 2jmb s ASP 27 CO 0.00 -0.29 0.05 -0.70 1.18 0.00 0.00 175.17 175.40 2jmb s GLU 28 N 2.42 3.63 -0.32 8.23 2.12 -0.70 0.11 118.70 134.20 2jmb s GLU 28 Ca 0.07 -0.35 0.01 0.00 0.36 0.00 0.00 54.97 55.07 2jmb s GLU 28 Cb -0.15 -3.08 0.08 0.00 0.26 0.00 0.00 34.13 31.24 2jmb s GLU 28 CO -0.12 0.45 0.01 0.00 -0.54 0.00 0.00 175.26 175.06 2jmb s ALA 29 N -0.14 2.82 -0.34 6.30 0.00 0.29 -2.04 121.76 128.65 2jmb s ALA 29 Ca 0.06 -2.13 -0.11 0.00 0.00 0.00 0.00 51.96 49.79 2jmb s ALA 29 Cb -0.12 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.09 2jmb s ALA 29 CO 0.01 -1.46 0.19 1.03 0.00 0.00 0.00 175.76 175.53 2jmb s ARG 30 N 1.08 3.23 2.72 0.00 0.52 -1.07 -2.44 118.95 122.99 2jmb s ARG 30 Ca 0.01 -0.80 0.00 0.00 -0.52 0.00 0.00 55.73 54.42 2jmb s ARG 30 Cb -0.20 -3.68 0.00 0.00 0.52 0.00 0.00 34.95 31.59 2jmb s ARG 30 CO -0.05 -0.51 0.00 0.41 0.02 0.00 0.00 175.30 175.17 2jmb n GLY 31 N 5.02 0.93 0.34 -3.53 0.00 -1.24 -2.08 105.19 104.62 2jmb n GLY 31 Ca -0.13 -0.71 0.18 0.00 0.00 0.00 0.00 46.02 45.36 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 3.66 0.00 -2.50 1.61 2.35 -1.96 -3.30 115.58 115.43 2jmb h ASN 32 Ca 0.00 0.00 -0.73 0.00 -0.55 0.00 0.00 56.30 55.02 2jmb h ASN 32 Cb 0.00 0.00 -0.19 0.00 0.05 0.00 0.00 38.32 38.18 2jmb h ASN 32 CO 0.00 0.00 1.01 -0.60 -1.65 0.00 0.00 177.43 176.19 2jmb s ARG 33 N -4.36 3.92 0.76 0.81 6.06 -0.88 -5.02 118.95 120.25 2jmb s ARG 33 Ca -0.04 -2.39 -0.10 0.00 -2.50 0.00 0.00 55.73 50.69 2jmb s ARG 33 Cb 0.13 -4.92 0.07 0.00 0.06 0.00 0.00 34.95 30.28 2jmb s ARG 33 CO 0.44 -1.68 1.12 -1.59 -2.50 0.00 0.00 175.30 171.09 2jmb s LYS 34 N 1.52 2.13 -1.10 5.12 0.00 -1.25 -2.58 119.74 123.58 2jmb s LYS 34 Ca 0.37 0.04 0.00 0.00 0.00 0.00 0.00 55.97 56.37 2jmb s LYS 34 Cb -0.05 -2.03 0.00 0.00 0.00 0.00 0.00 37.83 35.76 2jmb s LYS 34 CO -0.04 -1.42 0.00 0.43 0.00 0.00 0.00 175.35 174.31 2jmb n SER 35 N -3.16 -4.03 -0.26 0.03 7.64 -1.09 -4.82 113.62 107.93 2jmb n SER 35 Ca 0.08 0.18 0.02 0.00 1.01 0.00 0.00 58.87 60.16 2jmb n SER 35 Cb 0.60 -3.42 0.15 0.00 -1.01 0.00 0.00 64.21 60.54 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 1.05 -2.76 -0.43 0.00 -1.53 -3.43 119.26 113.16 2jmb h ALA 36 Ca -0.31 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 2jmb h ALA 36 Cb 1.23 -0.05 -0.24 0.00 0.00 0.00 0.00 17.79 18.72 2jmb h ALA 36 CO 0.36 -0.03 -0.25 0.71 0.00 0.00 0.00 179.25 180.04 2jmb s TYR 37 N -6.04 -0.42 -0.03 0.00 1.51 -1.25 -5.06 117.35 106.06 2jmb s TYR 37 Ca -0.12 1.00 -0.20 0.00 -1.01 0.00 0.00 57.07 56.74 2jmb s TYR 37 Cb 0.19 0.15 0.04 0.00 -0.11 0.00 0.00 41.96 42.22 2jmb s TYR 37 CO 0.77 -0.23 0.42 -0.65 -1.11 0.00 0.00 175.55 174.75 2jmb s GLN 38 N 0.08 0.78 0.00 -0.62 1.11 -1.26 -1.72 119.66 118.03 2jmb s GLN 38 Ca -0.01 -0.04 0.00 0.00 0.01 0.00 0.00 55.36 55.32 2jmb s GLN 38 Cb -0.03 0.35 0.00 0.00 -1.01 0.00 0.00 33.01 32.33 2jmb s GLN 38 CO 0.01 -0.22 0.00 0.41 0.01 0.00 0.00 175.29 175.50 2jmb n GLY 39 N 1.21 1.22 3.45 3.09 0.00 -1.04 -4.56 105.19 108.56 2jmb n GLY 39 Ca -0.21 0.36 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 3.21 1.28 0.05 1.61 1.70 -1.26 -3.54 118.95 122.00 2jmb s ARG 40 Ca 0.00 -0.88 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 -0.53 -0.05 1.52 -1.08 0.00 0.00 175.30 175.17 2jmb s TYR 41 N -3.87 0.54 -0.12 5.89 1.13 -1.26 -1.43 117.35 118.23 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 -0.36 0.01 0.00 -1.10 0.00 0.00 41.96 40.51 2jmb s TYR 41 CO -0.04 -0.22 -0.23 -2.00 -2.51 0.00 0.00 175.55 170.54 2jmb s GLU 42 N -2.73 3.03 -0.17 -3.49 2.12 -0.90 -4.20 118.70 112.37 2jmb s GLU 42 Ca -0.02 -0.87 -0.06 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 31.96 2jmb s GLU 42 CO -0.04 0.07 0.04 0.08 -0.54 0.00 0.00 175.26 174.87 2jmb s VAL 43 N 0.60 4.62 -0.30 3.70 1.01 -1.26 -2.59 120.40 126.19 2jmb s VAL 43 Ca -0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.74 2jmb s VAL 43 Cb -0.17 -3.06 0.12 0.00 0.00 0.00 0.00 36.38 33.27 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 0.29 -1.31 2.72 3.52 0.30 -4.85 118.95 119.85 2jmb s ARG 44 Ca 0.03 -0.58 -0.06 0.00 -0.13 0.00 0.00 55.73 54.99 2jmb s ARG 44 Cb -0.13 -1.06 0.01 0.00 -1.56 0.00 0.00 34.95 32.21 2jmb s ARG 44 CO 0.01 -1.06 1.11 0.41 -0.81 0.00 0.00 175.30 174.96 2jmb n GLY 45 N 5.05 -0.48 2.68 8.12 0.00 -1.26 -1.34 105.19 117.96 2jmb n GLY 45 Ca -0.02 0.20 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 -4.69 0.00 -2.67 4.61 0.00 -1.26 -4.96 120.51 111.54 2jmb n ALA 46 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.96 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 -3.11 3.38 0.04 0.00 4.02 -0.45 0.90 115.29 120.06 2jmb s HIS 47 Ca 0.00 0.66 0.03 0.00 1.02 0.00 0.00 55.06 56.76 2jmb s HIS 47 Cb 0.00 -2.55 -0.02 0.00 -1.02 0.00 0.00 32.58 28.98 2jmb s HIS 47 CO 0.00 -0.02 -0.09 -1.50 1.02 0.00 0.00 174.74 174.15 2jmb s ILE 48 N 1.35 0.62 0.02 0.60 -1.16 -0.54 0.11 121.20 122.19 2jmb s ILE 48 Ca 0.20 -0.98 0.03 0.00 -0.51 0.00 0.00 60.65 59.39 2jmb s ILE 48 Cb -0.15 -0.65 -0.02 0.00 0.61 0.00 0.00 42.46 42.26 2jmb s ILE 48 CO 0.08 -0.27 -0.10 0.20 -2.81 0.00 0.00 174.94 172.05 2jmb s ASN 49 N -1.37 1.13 -0.34 4.50 -0.87 -1.07 0.20 114.94 117.12 2jmb s ASN 49 Ca -0.07 -0.34 -0.13 0.00 -1.57 0.00 0.00 52.86 50.76 2jmb s ASN 49 Cb -0.09 -0.07 -0.02 0.00 -0.02 0.00 0.00 41.25 41.06 2jmb s ASN 49 CO 0.01 0.00 0.24 -0.31 -2.57 0.00 0.00 177.10 174.47 2jmb s TYR 50 N -0.69 3.23 -0.68 2.20 2.02 0.64 -2.12 117.35 121.95 2jmb s TYR 50 Ca -0.01 -0.24 -0.06 0.00 -0.37 0.00 0.00 57.07 56.39 2jmb s TYR 50 Cb -0.06 -2.48 0.18 0.00 -0.40 0.00 0.00 41.96 39.20 2jmb s TYR 50 CO 0.00 -0.37 0.53 -0.46 -1.57 0.00 0.00 175.55 173.68 2jmb s TRP 51 N 1.72 3.50 0.78 2.71 -0.00 -0.51 0.45 118.94 127.59 2jmb s TRP 51 Ca 0.06 -2.51 -0.11 0.00 -0.00 0.00 0.00 56.10 53.53 2jmb s TRP 51 Cb -0.17 -3.37 0.07 0.00 -0.00 0.00 0.00 33.47 29.99 2jmb s TRP 51 CO 0.10 -0.88 1.12 -0.51 -0.00 0.00 0.00 176.95 176.78 2jmb s ASP 52 N 1.11 4.22 0.09 5.86 1.11 0.32 -4.06 116.67 125.32 2jmb s ASP 52 Ca 0.17 1.98 0.26 0.00 0.18 0.00 0.00 52.55 55.14 2jmb s ASP 52 Cb -0.18 -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 -0.90 1.18 0.00 0.00 175.17 174.75 2jmb n ASP 53 N -3.44 0.53 -1.52 0.27 5.75 -1.26 -3.72 116.55 113.16 2jmb n ASP 53 Ca 0.10 0.22 -0.05 0.00 -0.01 0.00 0.00 54.79 55.05 2jmb n ASP 53 Cb 0.52 -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 -1.88 1.96 -1.56 2.12 5.66 -1.26 -4.85 114.28 114.48 2jmb n THR 54 Ca 0.05 -0.97 -0.01 0.00 -3.05 0.00 0.00 64.05 60.06 2jmb n THR 54 Cb 0.39 -0.53 -0.00 0.00 -1.55 0.00 0.00 70.33 68.64 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 0.40 3.57 1.09 0.00 -1.24 -5.06 105.19 103.90 2jmb n GLY 55 Ca 0.26 -0.93 -0.25 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.06 2.46 -0.22 1.61 2.19 -1.25 -5.01 117.98 115.69 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 -1.37 0.08 0.00 -1.31 0.00 0.00 43.02 40.42 2jmb s PHE 56 CO 0.00 0.56 0.75 0.95 1.83 0.00 0.00 175.22 179.32 2jmb s THR 57 N -2.55 0.00 -0.07 0.12 -4.23 -1.25 -0.52 115.64 107.14 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 0.00 -1.00 0.04 0.00 1.34 0.00 0.00 72.50 72.88 2jmb s THR 57 CO 0.18 0.00 0.13 0.00 -0.54 0.00 0.00 174.62 174.39 2jmb s ALA 58 N -0.02 -0.09 0.34 3.99 0.00 0.17 -4.93 121.76 121.23 2jmb s ALA 58 Ca -0.02 0.49 -0.06 0.00 0.00 0.00 0.00 51.96 52.37 2jmb s ALA 58 Cb -0.04 -0.70 -0.05 0.00 0.00 0.00 0.00 23.12 22.33 2jmb s ALA 58 CO 0.02 -0.47 0.63 0.16 0.00 0.00 0.00 175.76 176.10 2jmb s ASP 59 N 2.06 6.44 0.02 0.00 -4.77 -1.26 0.23 116.67 119.39 2jmb s ASP 59 Ca 0.01 0.83 -0.01 0.00 -3.30 0.00 0.00 52.55 50.08 2jmb s ASP 59 Cb -0.12 -2.19 0.00 0.00 -1.09 0.00 0.00 42.92 39.52 2jmb s ASP 59 CO -0.05 -0.30 0.06 0.61 0.70 0.00 0.00 175.17 176.20 2jmb n GLY 60 N -1.23 1.67 3.64 2.12 0.00 0.53 -2.52 105.19 109.40 2jmb n GLY 60 Ca -0.01 -0.99 -0.05 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.16 -0.51 -0.37 1.61 1.47 0.28 -1.47 116.67 116.51 2jmb s ASP 61 Ca 0.01 0.87 -0.29 0.00 1.18 0.00 0.00 52.55 54.33 2jmb s ASP 61 Cb -0.00 1.09 -0.00 0.00 -0.34 0.00 0.00 42.92 43.67 2jmb s ASP 61 CO 0.01 -0.14 1.53 -0.36 0.68 0.00 0.00 175.17 176.88 2jmb s PHE 62 N 0.94 2.23 -0.48 2.11 0.08 0.26 -2.16 117.98 120.97 2jmb s PHE 62 Ca -0.04 0.66 0.24 0.00 0.12 0.00 0.00 56.93 57.90 2jmb s PHE 62 Cb -0.04 -4.23 0.37 0.00 -0.57 0.00 0.00 43.02 38.55 2jmb s PHE 62 CO -0.12 -2.30 1.52 -0.39 -0.10 0.00 0.00 175.22 173.82 2jmb h VAL 63 N 6.52 0.00 -1.94 -0.44 -1.51 -1.88 -3.47 116.25 113.53 2jmb h VAL 63 Ca -0.30 -0.85 0.00 0.00 -1.23 0.00 0.00 66.70 64.32 2jmb h VAL 63 Cb 1.13 1.73 0.00 0.00 -2.13 0.00 0.00 31.29 32.01 2jmb h VAL 63 CO 1.06 0.00 0.00 -0.24 -1.23 0.00 0.00 177.57 177.16 2jmb n SER 64 N -2.78 0.00 0.07 4.19 2.88 -1.23 -4.98 113.62 111.78 2jmb n SER 64 Ca 0.04 -0.94 -0.04 0.00 -1.33 0.00 0.00 58.87 56.59 2jmb n SER 64 Cb 0.51 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.89 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 1.48 0.53 0.00 -1.46 0.00 -2.02 -3.36 119.26 114.43 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 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2jmb h ALA 65 CO 0.00 1.08 0.00 0.09 0.00 0.00 0.00 179.25 180.42 2jmb n ASN 66 N -3.23 0.87 -4.72 0.00 5.03 -1.26 -4.97 115.26 106.98 2jmb n ASN 66 Ca -0.02 -0.99 -0.32 0.00 0.87 0.00 0.00 54.58 54.12 2jmb n ASN 66 Cb 0.88 0.02 -0.08 0.00 -1.02 0.00 0.00 39.78 39.59 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 -0.02 2.81 0.01 3.52 2.12 -1.26 -0.96 118.70 124.92 2jmb s GLU 67 Ca 0.00 -0.64 0.04 0.00 0.36 0.00 0.00 54.97 54.73 2jmb s GLU 67 Cb 0.00 -2.69 -0.01 0.00 0.26 0.00 0.00 34.13 31.68 2jmb s GLU 67 CO 0.00 0.60 -0.12 -1.17 -0.54 0.00 0.00 175.26 174.03 2jmb s LEU 68 N -1.88 2.07 -0.25 2.70 1.98 0.34 -3.48 118.68 120.15 2jmb s LEU 68 Ca 0.23 -0.29 0.01 0.00 -2.89 0.00 0.00 54.13 51.18 2jmb s LEU 68 Cb -0.12 -0.59 0.07 0.00 0.66 0.00 0.00 46.19 46.21 2jmb s LEU 68 CO 0.15 0.10 -0.02 -1.00 -1.89 0.00 0.00 176.35 173.69 2jmb s HIS 69 N -0.48 2.37 -0.06 5.38 3.76 -0.92 -0.60 115.29 124.74 2jmb s HIS 69 Ca 0.03 -1.82 -0.04 0.00 -0.15 0.00 0.00 55.06 53.08 2jmb s HIS 69 Cb -0.06 -1.69 0.02 0.00 1.11 0.00 0.00 32.58 31.97 2jmb s HIS 69 CO 0.00 -0.79 0.14 -3.38 -0.85 0.00 0.00 174.74 169.86 2jmb s HIS 70 N 1.40 -0.16 -1.93 1.40 -3.43 -1.11 0.99 115.29 112.45 2jmb s HIS 70 Ca -0.02 0.42 0.00 0.00 -0.80 0.00 0.00 55.06 54.66 2jmb s HIS 70 Cb -0.19 -0.01 0.00 0.00 -1.43 0.00 0.00 32.58 30.95 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 3.56 1.44 1.98 -1.38 0.00 -1.05 -0.67 105.19 109.08 2jmb n GLY 71 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.44 0.39 3.66 -0.02 0.00 -1.26 -5.05 105.19 102.46 2jmb n GLY 72 Ca -0.19 -1.01 -0.24 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.73 2.17 -0.29 1.61 1.00 0.16 -5.12 119.30 116.09 2jmb s MET 73 Ca 0.00 -1.69 0.02 0.00 0.00 0.00 0.00 55.69 54.02 2jmb s MET 73 Cb 0.00 -2.00 0.07 0.00 0.00 0.00 0.00 34.83 32.90 2jmb s MET 73 CO 0.00 0.13 -0.03 0.99 0.00 0.00 0.00 175.02 176.11 2jmb s THR 74 N -2.49 2.45 -0.17 2.05 2.01 -1.26 -2.75 115.64 115.48 2jmb s THR 74 Ca 0.36 -1.75 -0.04 0.00 0.31 0.00 0.00 61.69 60.57 2jmb s THR 74 Cb -0.01 -2.52 -0.02 0.00 0.01 0.00 0.00 72.50 69.96 2jmb s THR 74 CO 0.20 -0.20 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.53 2jmb s PHE 75 N 1.10 3.00 -0.01 4.92 0.08 0.23 -3.77 117.98 123.53 2jmb s PHE 75 Ca -0.03 -0.44 -0.00 0.00 0.12 0.00 0.00 56.93 56.57 2jmb s PHE 75 Cb -0.20 -2.00 -0.04 0.00 -0.57 0.00 0.00 43.02 40.21 2jmb s PHE 75 CO -0.05 -0.17 0.07 0.71 -0.10 0.00 0.00 175.22 175.69 2jmb s TYR 76 N 0.67 3.27 0.29 0.36 1.51 0.22 0.12 117.35 123.80 2jmb s TYR 76 Ca -0.02 0.20 -0.29 0.00 -1.01 0.00 0.00 57.07 55.95 2jmb s TYR 76 Cb -0.14 -1.74 -0.10 0.00 -0.11 0.00 0.00 41.96 39.87 2jmb s TYR 76 CO 0.02 0.54 1.21 0.50 -1.11 0.00 0.00 175.55 176.71 2jmb s ARG 77 N -1.69 4.50 0.00 -0.62 6.06 -0.14 -0.02 118.95 127.04 2jmb s ARG 77 Ca 0.22 2.00 0.00 0.00 -2.50 0.00 0.00 55.73 55.46 2jmb s ARG 77 Cb -0.12 -3.14 0.00 0.00 0.06 0.00 0.00 34.95 31.75 2jmb s ARG 77 CO 0.13 -0.00 0.00 -1.91 -2.50 0.00 0.00 175.30 171.02 2jmb n GLU 78 N 1.15 0.00 -0.61 5.12 0.00 0.63 -4.88 120.64 122.05 2jmb n GLU 78 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2jmb n GLU 78 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.87 2jmb n GLU 78 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76