#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 1.36 -0.36 0.03 0.00 -1.26 -4.97 119.66 114.46 2jmb s GLN 2 Ca 0.00 -1.62 -0.08 0.00 -0.00 0.00 0.00 55.36 53.67 2jmb s GLN 2 Cb 0.00 -1.11 0.04 0.00 0.00 0.00 0.00 33.01 31.95 2jmb s GLN 2 CO 0.00 0.16 0.15 -1.01 0.00 0.00 0.00 175.29 174.58 2jmb s HIS 3 N -2.99 3.27 1.00 9.60 3.76 -1.26 -5.03 115.29 123.64 2jmb s HIS 3 Ca 0.23 -1.37 -0.12 0.00 -0.15 0.00 0.00 55.06 53.65 2jmb s HIS 3 Cb 0.00 -2.42 0.15 0.00 1.11 0.00 0.00 32.58 31.42 2jmb s HIS 3 CO 0.07 -0.74 0.85 -2.30 -0.85 0.00 0.00 174.74 171.78 2jmb n PRO 4 N 4.86 -0.93 0.00 8.40 -0.02 -1.26 -4.63 135.00 141.41 2jmb n PRO 4 Ca -0.12 -0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.14 2jmb n PRO 4 Cb 0.45 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 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 -4.27 -0.18 -1.94 6.00 4.02 -1.26 -4.95 117.16 114.58 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 0.14 0.00 0.00 -0.02 0.00 0.00 39.34 39.99 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 -1.77 -6.67 0.00 -0.72 0.31 -1.25 -5.06 118.33 103.16 2jmb n VAL 6 Ca 0.00 2.81 0.00 0.00 -0.01 0.00 0.00 64.34 67.14 2jmb n VAL 6 Cb 0.00 -3.74 0.00 0.00 -0.91 0.00 0.00 33.84 29.19 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 0.68 3.76 3.38 2.92 0.00 -0.62 -4.88 105.19 110.43 2jmb n GLY 7 Ca 0.00 -0.54 -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 -1.77 4.94 -0.51 -0.61 1.01 -1.26 0.14 121.20 123.14 2jmb s ILE 8 Ca 0.00 -1.34 -0.22 0.00 0.00 0.00 0.00 60.65 59.09 2jmb s ILE 8 Cb 0.00 -4.53 0.04 0.00 0.01 0.00 0.00 42.46 37.98 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 2.26 2.93 0.20 3.97 0.52 0.31 0.27 118.94 129.40 2jmb s TRP 9 Ca 0.16 -0.16 0.09 0.00 0.02 0.00 0.00 56.10 56.21 2jmb s TRP 9 Cb -0.19 -3.77 -0.04 0.00 -1.15 0.00 0.00 33.47 28.31 2jmb s TRP 9 CO 0.01 -1.15 -0.08 0.08 0.02 0.00 0.00 176.95 175.84 2jmb s VAL 10 N 3.33 3.25 1.25 4.03 1.01 0.11 -0.03 120.40 133.34 2jmb s VAL 10 Ca 0.25 -1.72 -0.19 0.00 0.00 0.00 0.00 61.98 60.32 2jmb s VAL 10 Cb -0.15 -2.64 0.30 0.00 0.00 0.00 0.00 36.38 33.90 2jmb s VAL 10 CO 0.17 -0.17 1.05 0.42 0.00 0.00 0.00 175.10 176.57 2jmb s THR 11 N -1.85 1.54 -0.37 3.92 -4.23 -1.12 0.95 115.64 114.48 2jmb s THR 11 Ca 0.26 0.00 0.25 0.00 -1.18 0.00 0.00 61.69 61.03 2jmb s THR 11 Cb -0.08 -2.34 0.34 0.00 1.34 0.00 0.00 72.50 71.76 2jmb s THR 11 CO 0.16 0.00 1.69 0.00 -0.54 0.00 0.00 174.62 175.94 2jmb h ALA 12 N -2.78 1.00 0.00 3.99 0.00 -1.94 -3.27 119.26 116.26 2jmb h ALA 12 Ca -0.46 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.33 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 0.35 0.00 -1.92 -0.25 0.00 0.00 0.00 179.25 177.43 2jmb n ASP 13 N -3.01 0.98 0.00 0.00 8.00 -1.26 -5.01 116.55 116.25 2jmb n ASP 13 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.53 2jmb n ASP 13 Cb 0.47 1.46 0.00 0.00 -0.02 0.00 0.00 41.12 43.03 2jmb n ASP 13 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jmb n GLY 14 N 1.69 0.75 0.19 0.44 0.00 -1.23 -4.96 105.19 102.07 2jmb n GLY 14 Ca -0.12 -0.57 0.07 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.46 114.38 106.92 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 0.09 0.00 -0.16 0.00 -0.00 0.00 0.00 29.97 29.90 2jmb h ARG 15 CO 0.00 0.32 -0.40 0.96 -0.00 0.00 0.00 179.97 180.85 2jmb s ILE 16 N -3.46 0.12 -0.01 0.08 -5.25 -1.26 -2.80 121.20 108.61 2jmb s ILE 16 Ca 0.01 -1.02 0.01 0.00 -0.99 0.00 0.00 60.65 58.66 2jmb s ILE 16 Cb 0.10 -1.05 0.01 0.00 2.95 0.00 0.00 42.46 44.46 2jmb s ILE 16 CO 0.68 -0.56 -0.02 -0.60 -1.79 0.00 0.00 174.94 172.65 2jmb s ARG 17 N -2.99 0.29 -0.22 0.37 3.52 -0.98 -2.80 118.95 116.14 2jmb s ARG 17 Ca -0.02 -0.03 0.02 0.00 -0.13 0.00 0.00 55.73 55.57 2jmb s ARG 17 Cb 0.01 -0.36 0.05 0.00 -1.56 0.00 0.00 34.95 33.08 2jmb s ARG 17 CO -0.06 -0.02 -0.12 -1.14 -0.81 0.00 0.00 175.30 173.15 2jmb s GLN 18 N 0.41 2.22 -0.19 5.12 0.74 0.96 0.12 119.66 129.03 2jmb s GLN 18 Ca -0.04 -1.02 -0.15 0.00 0.05 0.00 0.00 55.36 54.21 2jmb s GLN 18 Cb -0.07 -2.61 -0.04 0.00 1.10 0.00 0.00 33.01 31.39 2jmb s GLN 18 CO -0.01 -0.45 0.34 -2.00 -0.55 0.00 0.00 175.29 172.61 2jmb s GLU 19 N 1.28 4.19 -0.37 1.67 2.12 0.28 0.11 118.70 127.99 2jmb s GLU 19 Ca -0.03 0.11 -0.20 0.00 0.36 0.00 0.00 54.97 55.21 2jmb s GLU 19 Cb -0.17 -3.50 0.01 0.00 0.26 0.00 0.00 34.13 30.73 2jmb s GLU 19 CO -0.08 0.07 0.61 -0.51 -0.54 0.00 0.00 175.26 174.81 2jmb s LEU 20 N 0.99 4.33 0.74 2.70 1.43 0.37 0.71 118.68 129.95 2jmb s LEU 20 Ca 0.17 -0.00 -0.12 0.00 -1.03 0.00 0.00 54.13 53.14 2jmb s LEU 20 Cb -0.14 -2.73 0.04 0.00 0.03 0.00 0.00 46.19 43.39 2jmb s LEU 20 CO 0.06 -0.61 1.12 -0.76 0.23 0.00 0.00 176.35 176.38 2jmb s LEU 21 N 2.67 3.17 0.22 1.79 1.02 0.35 -1.60 118.68 126.30 2jmb s LEU 21 Ca 0.23 1.98 0.18 0.00 0.02 0.00 0.00 54.13 56.54 2jmb s LEU 21 Cb -0.15 -4.54 0.87 0.00 0.02 0.00 0.00 46.19 42.39 2jmb s LEU 21 CO 0.15 -2.03 1.56 -2.65 0.02 0.00 0.00 176.35 173.40 2jmb n PRO 22 N -3.12 0.12 -0.63 1.29 -0.02 -1.26 -1.40 135.00 129.98 2jmb n PRO 22 Ca 0.10 0.50 0.05 0.00 -2.02 0.00 0.00 63.50 62.13 2jmb n PRO 22 Cb 0.52 -1.81 0.28 0.00 -0.02 0.00 0.00 33.50 32.48 2jmb n PRO 22 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2jmb n ASN 23 N -2.05 4.32 -2.99 2.55 5.15 -1.26 -4.88 115.26 116.09 2jmb n ASN 23 Ca 0.01 -2.66 -0.14 0.00 -0.60 0.00 0.00 54.58 51.19 2jmb n ASN 23 Cb 0.11 -0.63 0.07 0.00 -0.53 0.00 0.00 39.78 38.80 2jmb n ASN 23 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jmb n GLY 24 N 0.43 -0.22 3.30 8.20 0.00 -0.49 -4.88 105.19 111.53 2jmb n GLY 24 Ca 0.20 -0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.57 0.46 -4.04 1.61 5.12 -1.16 -4.39 116.66 110.68 2jmb n ARG 25 Ca -0.24 -3.42 -0.12 0.00 -1.93 0.00 0.00 57.85 52.14 2jmb n ARG 25 Cb 0.64 2.53 -0.11 0.00 -1.16 0.00 0.00 32.46 34.36 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 0.53 -0.20 -1.55 -0.85 -1.22 0.13 117.35 110.89 2jmb s TYR 26 Ca 0.35 -0.48 -0.04 0.00 -0.52 0.00 0.00 57.07 56.38 2jmb s TYR 26 Cb 0.02 -0.33 0.10 0.00 0.38 0.00 0.00 41.96 42.13 2jmb s TYR 26 CO 0.25 -0.11 0.27 -0.51 -1.52 0.00 0.00 175.55 173.93 2jmb s ASP 27 N -1.44 0.86 -0.16 -0.18 1.11 0.22 -2.43 116.67 114.65 2jmb s ASP 27 Ca -0.11 0.07 -0.06 0.00 0.18 0.00 0.00 52.55 52.63 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 -0.30 0.05 -0.70 1.18 0.00 0.00 175.17 175.40 2jmb s GLU 28 N 2.41 3.74 -0.30 8.23 2.12 -0.77 0.10 118.70 134.22 2jmb s GLU 28 Ca 0.07 -0.34 0.03 0.00 0.36 0.00 0.00 54.97 55.09 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 -0.12 0.40 -0.03 0.00 -0.54 0.00 0.00 175.26 174.96 2jmb s ALA 29 N 0.01 2.73 0.10 6.30 0.00 0.32 -2.51 121.76 128.71 2jmb s ALA 29 Ca 0.05 -2.13 -0.03 0.00 0.00 0.00 0.00 51.96 49.86 2jmb s ALA 29 Cb -0.12 -1.78 -0.05 0.00 0.00 0.00 0.00 23.12 21.17 2jmb s ALA 29 CO 0.01 -1.43 0.30 1.03 0.00 0.00 0.00 175.76 175.67 2jmb s ARG 30 N 1.02 3.54 0.25 0.00 0.52 -0.72 -2.32 118.95 121.24 2jmb s ARG 30 Ca 0.00 -0.24 -0.29 0.00 -0.52 0.00 0.00 55.73 54.69 2jmb s ARG 30 Cb -0.20 -2.95 -0.15 0.00 0.52 0.00 0.00 34.95 32.18 2jmb s ARG 30 CO -0.06 0.54 0.99 0.41 0.02 0.00 0.00 175.30 177.20 2jmb n GLY 31 N 0.26 -0.35 2.37 -3.53 0.00 -1.12 -0.42 105.19 102.39 2jmb n GLY 31 Ca -0.04 0.38 -0.18 0.00 0.00 0.00 0.00 46.02 46.18 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 1.49 -4.79 -2.66 1.61 2.85 -1.26 -4.79 115.26 107.70 2jmb n ASN 32 Ca 0.12 0.36 -0.03 0.00 -0.11 0.00 0.00 54.58 54.91 2jmb n ASN 32 Cb 0.29 -4.24 0.04 0.00 1.24 0.00 0.00 39.78 37.12 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 -2.34 0.06 -2.18 1.20 3.00 0.44 -5.17 116.66 111.66 2jmb n ARG 33 Ca -0.18 -0.67 -0.26 0.00 -0.00 0.00 0.00 57.85 56.74 2jmb n ARG 33 Cb 0.60 0.24 0.07 0.00 0.00 0.00 0.00 32.46 33.36 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 0.89 2.28 -0.81 -0.14 0.00 -1.12 -1.76 119.74 119.09 2jmb s LYS 34 Ca 0.23 -0.17 0.00 0.00 0.00 0.00 0.00 55.97 56.03 2jmb s LYS 34 Cb 0.15 -2.16 0.00 0.00 0.00 0.00 0.00 37.83 35.82 2jmb s LYS 34 CO -0.11 -1.21 0.00 0.43 0.00 0.00 0.00 175.35 174.47 2jmb n SER 35 N -2.92 -3.17 -0.02 0.03 7.64 -1.18 -4.82 113.62 109.18 2jmb n SER 35 Ca 0.08 0.27 -0.09 0.00 1.01 0.00 0.00 58.87 60.14 2jmb n SER 35 Cb 0.60 -2.74 -0.03 0.00 -1.01 0.00 0.00 64.21 61.03 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 0.01 -2.67 -0.43 0.00 -1.62 -3.45 119.26 112.11 2jmb h ALA 36 Ca -0.22 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 2jmb h ALA 36 Cb 1.14 0.26 -0.22 0.00 0.00 0.00 0.00 17.79 18.97 2jmb h ALA 36 CO 0.26 -0.56 -0.31 0.71 0.00 0.00 0.00 179.25 179.36 2jmb s TYR 37 N -6.17 -0.23 -0.04 0.00 1.51 -1.25 -5.07 117.35 106.11 2jmb s TYR 37 Ca -0.14 0.45 -0.23 0.00 -1.01 0.00 0.00 57.07 56.13 2jmb s TYR 37 Cb 0.10 0.10 0.05 0.00 -0.11 0.00 0.00 41.96 42.10 2jmb s TYR 37 CO 0.68 -0.31 0.50 -0.65 -1.11 0.00 0.00 175.55 174.66 2jmb s GLN 38 N -0.84 0.87 0.00 -0.62 1.11 -1.26 -1.85 119.66 117.07 2jmb s GLN 38 Ca -0.09 0.06 0.00 0.00 0.01 0.00 0.00 55.36 55.33 2jmb s GLN 38 Cb -0.04 0.40 0.00 0.00 -1.01 0.00 0.00 33.01 32.36 2jmb s GLN 38 CO 0.03 -0.26 0.00 0.41 0.01 0.00 0.00 175.29 175.48 2jmb n GLY 39 N 1.12 1.09 3.46 3.09 0.00 -1.02 -4.59 105.19 108.35 2jmb n GLY 39 Ca -0.20 0.38 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 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 1.30 0.04 1.61 3.03 -1.26 -3.46 118.95 123.43 2jmb s ARG 40 Ca 0.00 -0.89 -0.00 0.00 2.03 0.00 0.00 55.73 56.87 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 -0.04 1.52 -1.13 0.00 0.00 175.30 175.12 2jmb s TYR 41 N -3.88 0.47 -0.12 5.89 1.13 -1.26 -1.30 117.35 118.28 2jmb s TYR 41 Ca 0.10 -0.82 0.03 0.00 -1.41 0.00 0.00 57.07 54.97 2jmb s TYR 41 Cb 0.00 -0.33 0.01 0.00 -1.10 0.00 0.00 41.96 40.53 2jmb s TYR 41 CO -0.04 -0.27 -0.23 -2.00 -2.51 0.00 0.00 175.55 170.51 2jmb s GLU 42 N -2.86 3.04 -0.18 -3.49 2.12 -0.94 -4.15 118.70 112.24 2jmb s GLU 42 Ca -0.02 -0.86 -0.07 0.00 0.36 0.00 0.00 54.97 54.38 2jmb s GLU 42 Cb -0.00 -2.38 -0.04 0.00 0.26 0.00 0.00 34.13 31.97 2jmb s GLU 42 CO -0.06 0.07 0.05 0.08 -0.54 0.00 0.00 175.26 174.86 2jmb s VAL 43 N 0.61 4.68 -0.29 3.70 1.01 -1.26 -2.69 120.40 126.17 2jmb s VAL 43 Ca -0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 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 0.46 0.17 -0.60 0.00 0.00 0.00 175.10 175.16 2jmb s ARG 44 N 0.37 0.23 -1.34 2.72 3.00 0.30 -4.86 118.95 119.36 2jmb s ARG 44 Ca 0.02 -0.49 -0.07 0.00 -1.00 0.00 0.00 55.73 54.20 2jmb s ARG 44 Cb -0.13 -1.07 0.02 0.00 0.00 0.00 0.00 34.95 33.77 2jmb s ARG 44 CO 0.00 -1.03 1.09 0.41 0.00 0.00 0.00 175.30 175.77 2jmb n GLY 45 N 5.21 -0.48 2.70 8.12 0.00 -1.26 -1.16 105.19 118.32 2jmb n GLY 45 Ca -0.05 0.21 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 -2.68 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 -3.10 3.40 0.03 0.00 4.02 -0.31 0.81 115.29 120.14 2jmb s HIS 47 Ca 0.00 0.67 0.01 0.00 1.02 0.00 0.00 55.06 56.76 2jmb s HIS 47 Cb 0.00 -2.52 -0.02 0.00 -1.02 0.00 0.00 32.58 29.02 2jmb s HIS 47 CO 0.00 0.04 -0.06 -1.50 1.02 0.00 0.00 174.74 174.24 2jmb s ILE 48 N 1.14 0.39 0.02 0.60 -1.16 -0.51 0.11 121.20 121.80 2jmb s ILE 48 Ca 0.20 -0.93 0.03 0.00 -0.51 0.00 0.00 60.65 59.45 2jmb s ILE 48 Cb -0.15 -0.47 -0.02 0.00 0.61 0.00 0.00 42.46 42.44 2jmb s ILE 48 CO 0.08 -0.36 -0.10 0.20 -2.81 0.00 0.00 174.94 171.95 2jmb s ASN 49 N -1.38 1.14 -0.34 4.50 0.01 -1.09 0.19 114.94 117.97 2jmb s ASN 49 Ca -0.10 -0.36 -0.14 0.00 -0.71 0.00 0.00 52.86 51.55 2jmb s ASN 49 Cb -0.09 -0.06 -0.01 0.00 0.41 0.00 0.00 41.25 41.49 2jmb s ASN 49 CO -0.00 -0.01 0.30 -0.31 -1.51 0.00 0.00 177.10 175.57 2jmb s TYR 50 N -0.73 3.22 -0.68 2.20 2.02 0.68 -2.20 117.35 121.86 2jmb s TYR 50 Ca -0.01 -0.14 -0.06 0.00 -0.37 0.00 0.00 57.07 56.49 2jmb s TYR 50 Cb -0.06 -2.58 0.18 0.00 -0.40 0.00 0.00 41.96 39.09 2jmb s TYR 50 CO 0.00 -0.41 0.53 -0.46 -1.57 0.00 0.00 175.55 173.65 2jmb s TRP 51 N 1.87 3.50 0.79 2.71 -0.00 -0.42 0.46 118.94 127.86 2jmb s TRP 51 Ca 0.09 -2.51 -0.11 0.00 -0.00 0.00 0.00 56.10 53.56 2jmb s TRP 51 Cb -0.17 -3.37 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 1.10 4.12 0.08 5.86 1.11 0.31 -4.05 116.67 125.21 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 -0.18 -2.54 0.68 0.00 1.07 0.00 0.00 42.92 41.95 2jmb s ASP 52 CO -0.05 -2.29 1.58 0.47 1.18 0.00 0.00 175.17 176.05 2jmb n ASP 53 N -3.52 0.52 -1.52 0.27 9.92 -1.26 -3.72 116.55 117.24 2jmb n ASP 53 Ca 0.10 0.22 -0.05 0.00 -0.53 0.00 0.00 54.79 54.53 2jmb n ASP 53 Cb 0.52 -0.17 0.17 0.00 -0.64 0.00 0.00 41.12 41.00 2jmb n ASP 53 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 2jmb n THR 54 N -1.86 1.96 -1.74 -3.53 5.66 -1.26 -4.85 114.28 108.66 2jmb n THR 54 Ca 0.05 -0.97 -0.03 0.00 -3.05 0.00 0.00 64.05 60.05 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 -0.07 0.37 3.55 1.09 0.00 -1.24 -5.05 105.19 103.83 2jmb n GLY 55 Ca 0.26 -0.84 -0.25 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.12 2.42 -0.22 1.61 2.19 -1.25 -5.01 117.98 115.59 2jmb s PHE 56 Ca 0.00 -0.46 -0.27 0.00 0.33 0.00 0.00 56.93 56.54 2jmb s PHE 56 Cb 0.00 -1.34 0.08 0.00 -1.31 0.00 0.00 43.02 40.44 2jmb s PHE 56 CO 0.00 0.58 0.76 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 -0.53 115.64 107.11 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 0.00 174.62 174.38 2jmb s ALA 58 N -0.06 -0.09 0.41 3.99 0.00 0.17 -4.93 121.76 121.25 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 -0.71 -0.05 0.00 0.00 0.00 0.00 23.12 22.32 2jmb s ALA 58 CO 0.02 -0.48 0.70 0.16 0.00 0.00 0.00 175.76 176.16 2jmb s ASP 59 N 2.08 6.37 0.06 0.00 -4.77 -1.26 0.25 116.67 119.39 2jmb s ASP 59 Ca 0.01 0.87 -0.04 0.00 -3.30 0.00 0.00 52.55 50.10 2jmb s ASP 59 Cb -0.12 -2.22 0.01 0.00 -1.09 0.00 0.00 42.92 39.51 2jmb s ASP 59 CO -0.05 -0.42 0.20 0.61 0.70 0.00 0.00 175.17 176.21 2jmb n GLY 60 N -1.69 1.40 3.64 2.12 0.00 0.51 -2.62 105.19 108.56 2jmb n GLY 60 Ca -0.00 -1.01 -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 -1.49 -0.53 -0.36 1.61 -4.77 0.26 -1.42 116.67 109.97 2jmb s ASP 61 Ca 0.04 0.89 -0.29 0.00 -3.30 0.00 0.00 52.55 49.89 2jmb s ASP 61 Cb -0.01 1.13 -0.00 0.00 -1.09 0.00 0.00 42.92 42.95 2jmb s ASP 61 CO 0.02 -0.14 1.59 -0.36 0.70 0.00 0.00 175.17 176.98 2jmb s PHE 62 N 1.06 2.12 -0.47 2.11 0.08 0.24 -2.21 117.98 120.92 2jmb s PHE 62 Ca -0.06 0.64 0.23 0.00 0.12 0.00 0.00 56.93 57.87 2jmb s PHE 62 Cb -0.04 -4.21 0.37 0.00 -0.57 0.00 0.00 43.02 38.56 2jmb s PHE 62 CO -0.13 -2.46 1.55 -0.39 -0.10 0.00 0.00 175.22 173.69 2jmb h VAL 63 N 6.60 0.00 -1.85 -0.44 -1.51 -1.88 -3.47 116.25 113.71 2jmb h VAL 63 Ca -0.31 -0.89 0.00 0.00 -1.23 0.00 0.00 66.70 64.27 2jmb h VAL 63 Cb 1.14 1.81 0.00 0.00 -2.13 0.00 0.00 31.29 32.10 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 -2.86 0.00 0.06 4.19 2.88 -1.23 -4.99 113.62 111.67 2jmb n SER 64 Ca 0.04 -0.85 -0.04 0.00 -1.33 0.00 0.00 58.87 56.69 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 1.43 0.54 0.00 -1.46 0.00 -2.02 -3.36 119.26 114.39 2jmb h ALA 65 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.03 2jmb h ALA 65 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2jmb h ALA 65 CO 0.00 1.11 0.00 0.09 0.00 0.00 0.00 179.25 180.45 2jmb n ASN 66 N -3.21 0.88 -4.73 0.00 5.03 -1.26 -4.97 115.26 107.01 2jmb n ASN 66 Ca -0.04 -0.99 -0.31 0.00 0.87 0.00 0.00 54.58 54.11 2jmb n ASN 66 Cb 0.90 0.01 -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 -0.01 2.79 0.01 3.52 2.12 -1.26 -0.94 118.70 124.93 2jmb s GLU 67 Ca 0.00 -0.68 0.04 0.00 0.36 0.00 0.00 54.97 54.69 2jmb s GLU 67 Cb 0.00 -2.68 -0.01 0.00 0.26 0.00 0.00 34.13 31.70 2jmb s GLU 67 CO 0.00 0.59 -0.11 -1.17 -0.54 0.00 0.00 175.26 174.02 2jmb s LEU 68 N -2.02 2.08 -0.25 2.70 1.98 0.35 -3.52 118.68 119.99 2jmb s LEU 68 Ca 0.25 -0.29 0.01 0.00 -2.89 0.00 0.00 54.13 51.20 2jmb s LEU 68 Cb -0.12 -0.54 0.07 0.00 0.66 0.00 0.00 46.19 46.26 2jmb s LEU 68 CO 0.16 0.08 -0.02 -1.00 -1.89 0.00 0.00 176.35 173.68 2jmb s HIS 69 N -0.49 2.37 -0.06 5.38 3.76 -0.94 -0.58 115.29 124.74 2jmb s HIS 69 Ca 0.02 -1.82 -0.04 0.00 -0.15 0.00 0.00 55.06 53.07 2jmb s HIS 69 Cb -0.05 -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 -1.91 1.40 -3.43 -1.11 0.90 115.29 112.39 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 30.96 2jmb s HIS 70 CO -0.09 -0.11 0.00 0.41 -2.00 0.00 0.00 174.74 172.95 2jmb n GLY 71 N 3.54 1.38 2.00 -1.38 0.00 -1.08 -0.67 105.19 108.99 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 -0.45 0.38 3.64 -0.02 0.00 -1.26 -5.05 105.19 102.43 2jmb n GLY 72 Ca -0.19 -1.00 -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 -2.91 2.12 -0.30 1.61 1.00 0.16 -5.12 119.30 115.86 2jmb s MET 73 Ca 0.00 -1.71 0.02 0.00 0.00 0.00 0.00 55.69 53.99 2jmb s MET 73 Cb 0.00 -1.96 0.07 0.00 0.00 0.00 0.00 34.83 32.93 2jmb s MET 73 CO 0.00 0.14 -0.03 0.99 0.00 0.00 0.00 175.02 176.12 2jmb s THR 74 N -2.50 2.46 -0.17 2.05 2.01 -1.26 -2.75 115.64 115.49 2jmb s THR 74 Ca 0.35 -1.74 -0.04 0.00 0.31 0.00 0.00 61.69 60.57 2jmb s THR 74 Cb -0.01 -2.53 -0.02 0.00 0.01 0.00 0.00 72.50 69.95 2jmb s THR 74 CO 0.20 -0.20 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.52 2jmb s PHE 75 N 1.10 2.99 0.01 4.92 0.08 0.25 -3.73 117.98 123.61 2jmb s PHE 75 Ca -0.03 -0.44 0.00 0.00 0.12 0.00 0.00 56.93 56.58 2jmb s PHE 75 Cb -0.20 -1.99 -0.04 0.00 -0.57 0.00 0.00 43.02 40.23 2jmb s PHE 75 CO -0.05 -0.15 0.09 0.71 -0.10 0.00 0.00 175.22 175.72 2jmb s TYR 76 N 0.61 3.29 0.19 0.36 1.51 0.27 0.13 117.35 123.71 2jmb s TYR 76 Ca -0.03 0.20 -0.30 0.00 -1.01 0.00 0.00 57.07 55.93 2jmb s TYR 76 Cb -0.14 -1.73 -0.08 0.00 -0.11 0.00 0.00 41.96 39.90 2jmb s TYR 76 CO 0.02 0.55 1.17 0.50 -1.11 0.00 0.00 175.55 176.69 2jmb s ARG 77 N -1.87 4.52 0.00 -0.62 6.06 -0.11 0.06 118.95 126.98 2jmb s ARG 77 Ca 0.24 1.84 0.00 0.00 -2.50 0.00 0.00 55.73 55.31 2jmb s ARG 77 Cb -0.12 -3.25 0.00 0.00 0.06 0.00 0.00 34.95 31.64 2jmb s ARG 77 CO 0.16 -0.04 0.00 -1.91 -2.50 0.00 0.00 175.30 171.01 2jmb n GLU 78 N 2.42 0.00 -0.59 5.12 0.00 0.77 -4.90 120.64 123.46 2jmb n GLU 78 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.20 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