#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmb n GLN 2 N 0.00 -3.25 -4.00 2.12 3.00 -1.26 -4.81 117.38 109.18 2jmb n GLN 2 Ca 0.00 2.60 -0.31 0.00 -0.01 0.00 0.00 57.00 59.27 2jmb n GLN 2 Cb 0.00 -3.83 -0.15 0.00 0.00 0.00 0.00 30.24 26.26 2jmb n GLN 2 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 2jmb s HIS 3 N -4.06 3.75 1.02 1.08 3.76 -1.26 -5.04 115.29 114.54 2jmb s HIS 3 Ca 0.00 -2.96 -0.14 0.00 -0.15 0.00 0.00 55.06 51.81 2jmb s HIS 3 Cb 0.00 -2.95 0.09 0.00 1.11 0.00 0.00 32.58 30.84 2jmb s HIS 3 CO 0.00 -0.95 0.43 -2.30 -0.85 0.00 0.00 174.74 171.07 2jmb n PRO 4 N 4.28 -0.89 0.00 8.40 -0.02 -1.26 -4.63 135.00 140.88 2jmb n PRO 4 Ca 0.03 -0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 2jmb n PRO 4 Cb 0.42 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 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 -4.04 -0.25 -1.88 6.00 4.02 -1.26 -4.95 117.16 114.79 2jmb n TYR 5 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 2jmb n TYR 5 Cb 0.56 0.17 0.00 0.00 -0.02 0.00 0.00 39.34 40.05 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 -1.84 -6.48 0.00 -0.72 0.31 -1.25 -5.06 118.33 103.29 2jmb n VAL 6 Ca 0.00 2.72 0.00 0.00 -0.01 0.00 0.00 64.34 67.05 2jmb n VAL 6 Cb 0.00 -3.65 0.00 0.00 -0.91 0.00 0.00 33.84 29.28 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 0.64 3.95 3.41 2.92 0.00 -0.53 -4.87 105.19 110.70 2jmb n GLY 7 Ca 0.00 -0.53 -0.44 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.55 4.71 -0.49 -0.61 1.01 -1.26 0.13 121.20 123.14 2jmb s ILE 8 Ca 0.00 -1.07 -0.23 0.00 0.00 0.00 0.00 60.65 59.35 2jmb s ILE 8 Cb 0.00 -4.62 0.03 0.00 0.01 0.00 0.00 42.46 37.89 2jmb s ILE 8 CO 0.00 -1.31 0.82 0.26 0.00 0.00 0.00 174.94 174.71 2jmb s TRP 9 N 2.90 2.93 0.19 3.97 0.52 0.33 0.24 118.94 130.02 2jmb s TRP 9 Ca 0.20 0.04 0.09 0.00 0.02 0.00 0.00 56.10 56.45 2jmb s TRP 9 Cb -0.16 -3.79 -0.04 0.00 -1.15 0.00 0.00 33.47 28.32 2jmb s TRP 9 CO 0.02 -1.11 -0.07 0.08 0.02 0.00 0.00 176.95 175.89 2jmb s VAL 10 N 3.45 3.29 0.85 4.03 1.01 0.92 0.04 120.40 134.00 2jmb s VAL 10 Ca 0.29 -1.66 -0.14 0.00 0.00 0.00 0.00 61.98 60.47 2jmb s VAL 10 Cb -0.13 -2.65 0.22 0.00 0.00 0.00 0.00 36.38 33.82 2jmb s VAL 10 CO 0.21 -0.14 0.65 0.35 0.00 0.00 0.00 175.10 176.16 2jmb n THR 11 N -0.10 0.00 0.17 3.92 -2.24 -1.12 0.11 114.28 115.03 2jmb n THR 11 Ca -0.10 -0.19 0.11 0.00 -2.27 0.00 0.00 64.05 61.60 2jmb n THR 11 Cb 0.56 -0.94 0.10 0.00 -2.10 0.00 0.00 70.33 67.94 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 -2.71 0.81 0.00 6.98 0.00 -1.93 -3.34 119.26 119.07 2jmb h ALA 12 Ca -0.26 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 2jmb h ALA 12 Cb 0.83 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2jmb h ALA 12 CO 0.16 0.06 -1.90 -0.25 0.00 0.00 0.00 179.25 177.32 2jmb n ASP 13 N -2.96 1.17 0.00 0.00 9.92 -1.26 -5.01 116.55 118.41 2jmb n ASP 13 Ca 0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 2jmb n ASP 13 Cb 0.56 1.37 0.00 0.00 -0.64 0.00 0.00 41.12 42.41 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 1.77 0.97 0.12 0.44 0.00 -1.25 -4.97 105.19 102.26 2jmb n GLY 14 Ca -0.13 -0.41 -0.04 0.00 0.00 0.00 0.00 46.02 45.43 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 0.05 -4.20 1.61 -0.00 -1.95 -3.46 114.38 106.44 2jmb h ARG 15 Ca 0.00 -0.05 -0.16 0.00 -0.00 0.00 0.00 59.98 59.78 2jmb h ARG 15 Cb 0.15 0.01 -0.18 0.00 -0.00 0.00 0.00 29.97 29.96 2jmb h ARG 15 CO 0.00 0.79 -0.69 0.96 -0.00 0.00 0.00 179.97 181.02 2jmb s ILE 16 N -3.32 0.24 -0.03 0.08 -5.25 -1.26 -3.47 121.20 108.19 2jmb s ILE 16 Ca -0.01 -1.45 0.00 0.00 -0.99 0.00 0.00 60.65 58.20 2jmb s ILE 16 Cb 0.11 -1.03 0.03 0.00 2.95 0.00 0.00 42.46 44.53 2jmb s ILE 16 CO 0.79 -0.77 0.01 -0.60 -1.79 0.00 0.00 174.94 172.57 2jmb s ARG 17 N -2.89 0.27 -0.27 0.37 3.52 -1.00 -2.78 118.95 116.17 2jmb s ARG 17 Ca -0.02 0.10 -0.01 0.00 -0.13 0.00 0.00 55.73 55.68 2jmb s ARG 17 Cb 0.00 -0.50 0.04 0.00 -1.56 0.00 0.00 34.95 32.94 2jmb s ARG 17 CO -0.06 -0.16 -0.05 -1.14 -0.81 0.00 0.00 175.30 173.08 2jmb s GLN 18 N 1.15 2.55 -0.17 5.12 0.74 0.11 0.10 119.66 129.25 2jmb s GLN 18 Ca -0.08 -1.17 -0.17 0.00 0.05 0.00 0.00 55.36 53.99 2jmb s GLN 18 Cb -0.13 -3.02 -0.04 0.00 1.10 0.00 0.00 33.01 30.92 2jmb s GLN 18 CO -0.02 -0.52 0.45 -2.00 -0.55 0.00 0.00 175.29 172.65 2jmb s GLU 19 N 1.24 4.24 -0.38 1.67 2.12 0.31 0.12 118.70 128.02 2jmb s GLU 19 Ca -0.04 0.33 -0.20 0.00 0.36 0.00 0.00 54.97 55.43 2jmb s GLU 19 Cb -0.18 -3.50 0.01 0.00 0.26 0.00 0.00 34.13 30.71 2jmb s GLU 19 CO -0.04 0.01 0.61 -0.51 -0.54 0.00 0.00 175.26 174.79 2jmb s LEU 20 N 1.12 4.36 0.74 2.70 1.43 0.35 0.11 118.68 129.48 2jmb s LEU 20 Ca 0.22 -0.05 -0.13 0.00 -1.03 0.00 0.00 54.13 53.15 2jmb s LEU 20 Cb -0.15 -2.72 0.04 0.00 0.03 0.00 0.00 46.19 43.39 2jmb s LEU 20 CO 0.09 -0.62 1.12 -0.76 0.23 0.00 0.00 176.35 176.40 2jmb s LEU 21 N 2.66 3.18 0.20 1.79 1.02 0.40 -1.46 118.68 126.47 2jmb s LEU 21 Ca 0.22 1.99 0.17 0.00 0.02 0.00 0.00 54.13 56.53 2jmb s LEU 21 Cb -0.15 -4.54 0.82 0.00 0.02 0.00 0.00 46.19 42.34 2jmb s LEU 21 CO 0.16 -2.01 1.53 -2.65 0.02 0.00 0.00 176.35 173.40 2jmb n PRO 22 N -3.08 0.11 -0.64 1.29 -0.02 -1.26 -1.46 135.00 129.94 2jmb n PRO 22 Ca 0.10 0.49 0.04 0.00 -2.02 0.00 0.00 63.50 62.11 2jmb n PRO 22 Cb 0.52 -1.78 0.28 0.00 -0.02 0.00 0.00 33.50 32.50 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 -2.00 4.30 -3.01 2.55 5.15 -1.26 -4.88 115.26 116.11 2jmb n ASN 23 Ca 0.01 -2.67 -0.14 0.00 -0.60 0.00 0.00 54.58 51.18 2jmb n ASN 23 Cb 0.11 -0.64 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 0.41 -0.25 3.26 8.20 0.00 -0.54 -4.89 105.19 111.39 2jmb n GLY 24 Ca 0.20 0.02 -0.20 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.56 0.42 -4.08 1.61 5.12 -1.17 -4.43 116.66 110.56 2jmb n ARG 25 Ca -0.23 -3.39 -0.14 0.00 -1.93 0.00 0.00 57.85 52.16 2jmb n ARG 25 Cb 0.64 2.78 -0.12 0.00 -1.16 0.00 0.00 32.46 34.60 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 -3.38 0.74 -0.20 -1.55 -0.85 -1.23 0.15 117.35 111.03 2jmb s TYR 26 Ca 0.40 -0.48 -0.04 0.00 -0.52 0.00 0.00 57.07 56.44 2jmb s TYR 26 Cb 0.02 -0.44 0.10 0.00 0.38 0.00 0.00 41.96 42.02 2jmb s TYR 26 CO 0.29 -0.06 0.23 -0.51 -1.52 0.00 0.00 175.55 173.98 2jmb s ASP 27 N -1.54 1.27 -0.16 -0.18 1.11 0.29 -2.74 116.67 114.73 2jmb s ASP 27 Ca -0.08 -0.17 -0.07 0.00 0.18 0.00 0.00 52.55 52.41 2jmb s ASP 27 Cb -0.10 0.44 -0.04 0.00 1.07 0.00 0.00 42.92 44.29 2jmb s ASP 27 CO 0.01 -0.32 0.07 -0.70 1.18 0.00 0.00 175.17 175.40 2jmb s GLU 28 N 2.34 3.74 -0.31 8.23 2.12 -0.89 0.11 118.70 134.05 2jmb s GLU 28 Ca 0.07 -0.32 0.01 0.00 0.36 0.00 0.00 54.97 55.10 2jmb s GLU 28 Cb -0.16 -3.15 0.08 0.00 0.26 0.00 0.00 34.13 31.17 2jmb s GLU 28 CO -0.12 0.42 0.01 0.00 -0.54 0.00 0.00 175.26 175.03 2jmb s ALA 29 N -0.05 2.81 -0.40 6.30 0.00 0.28 -2.14 121.76 128.56 2jmb s ALA 29 Ca 0.07 -2.12 -0.14 0.00 0.00 0.00 0.00 51.96 49.77 2jmb s ALA 29 Cb -0.12 -1.90 0.03 0.00 0.00 0.00 0.00 23.12 21.13 2jmb s ALA 29 CO 0.01 -1.45 0.28 1.03 0.00 0.00 0.00 175.76 175.62 2jmb s ARG 30 N 1.08 2.91 2.97 0.00 0.52 -1.03 -2.38 118.95 123.01 2jmb s ARG 30 Ca 0.01 -1.08 0.00 0.00 -0.52 0.00 0.00 55.73 54.13 2jmb s ARG 30 Cb -0.20 -3.91 0.00 0.00 0.52 0.00 0.00 34.95 31.36 2jmb s ARG 30 CO -0.05 -0.77 0.00 0.41 0.02 0.00 0.00 175.30 174.91 2jmb n GLY 31 N 5.11 0.98 0.34 -3.53 0.00 -1.23 -1.82 105.19 105.04 2jmb n GLY 31 Ca -0.11 -0.62 0.20 0.00 0.00 0.00 0.00 46.02 45.49 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 6.30 0.00 -2.65 1.61 -0.26 -1.95 -3.28 115.58 115.34 2jmb h ASN 32 Ca 0.00 0.00 -0.76 0.00 -0.56 0.00 0.00 56.30 54.98 2jmb h ASN 32 Cb 0.00 0.00 -0.21 0.00 -1.06 0.00 0.00 38.32 37.05 2jmb h ASN 32 CO 0.00 0.00 1.04 -0.60 -1.06 0.00 0.00 177.43 176.81 2jmb s ARG 33 N -4.25 4.12 0.77 0.81 6.06 -0.76 -5.02 118.95 120.69 2jmb s ARG 33 Ca -0.05 -2.79 -0.11 0.00 -2.50 0.00 0.00 55.73 50.29 2jmb s ARG 33 Cb 0.12 -4.89 0.06 0.00 0.06 0.00 0.00 34.95 30.31 2jmb s ARG 33 CO 0.41 -1.59 1.13 -1.59 -2.50 0.00 0.00 175.30 171.16 2jmb s LYS 34 N 0.63 2.18 -1.10 5.12 0.00 -1.24 -2.48 119.74 122.86 2jmb s LYS 34 Ca 0.38 0.12 -0.01 0.00 0.00 0.00 0.00 55.97 56.47 2jmb s LYS 34 Cb -0.05 -2.00 0.00 0.00 0.00 0.00 0.00 37.83 35.78 2jmb s LYS 34 CO -0.03 -1.42 0.03 0.43 0.00 0.00 0.00 175.35 174.36 2jmb n SER 35 N -3.19 -4.00 -0.15 0.03 7.64 -1.10 -4.83 113.62 108.02 2jmb n SER 35 Ca 0.08 0.15 -0.03 0.00 1.01 0.00 0.00 58.87 60.08 2jmb n SER 35 Cb 0.60 -3.39 0.06 0.00 -1.01 0.00 0.00 64.21 60.48 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 0.57 -2.79 -0.43 0.00 -1.55 -3.44 119.26 112.63 2jmb h ALA 36 Ca -0.31 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 2jmb h ALA 36 Cb 1.23 0.09 -0.23 0.00 0.00 0.00 0.00 17.79 18.87 2jmb h ALA 36 CO 0.37 -0.27 -0.31 0.71 0.00 0.00 0.00 179.25 179.75 2jmb s TYR 37 N -6.14 -0.29 -0.02 0.00 1.51 -1.25 -5.07 117.35 106.09 2jmb s TYR 37 Ca -0.13 0.66 -0.18 0.00 -1.01 0.00 0.00 57.07 56.40 2jmb s TYR 37 Cb 0.15 0.11 0.03 0.00 -0.11 0.00 0.00 41.96 42.14 2jmb s TYR 37 CO 0.73 -0.25 0.39 -0.65 -1.11 0.00 0.00 175.55 174.66 2jmb s GLN 38 N -0.37 0.75 0.00 -0.62 1.11 -1.26 -2.09 119.66 117.19 2jmb s GLN 38 Ca -0.05 -0.09 0.00 0.00 0.01 0.00 0.00 55.36 55.23 2jmb s GLN 38 Cb -0.03 0.34 0.00 0.00 -1.01 0.00 0.00 33.01 32.31 2jmb s GLN 38 CO 0.02 -0.21 0.00 0.41 0.01 0.00 0.00 175.29 175.51 2jmb n GLY 39 N 1.21 1.36 3.46 3.09 0.00 -1.11 -4.53 105.19 108.67 2jmb n GLY 39 Ca -0.21 0.33 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 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 3.36 1.30 0.04 1.61 1.70 -1.26 -3.52 118.95 122.18 2jmb s ARG 40 Ca 0.00 -0.89 -0.00 0.00 -0.47 0.00 0.00 55.73 54.37 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 -0.03 1.52 -1.08 0.00 0.00 175.30 175.17 2jmb s TYR 41 N -3.88 0.40 -0.12 5.89 1.13 -1.26 -1.89 117.35 117.62 2jmb s TYR 41 Ca 0.09 -0.78 0.03 0.00 -1.41 0.00 0.00 57.07 55.00 2jmb s TYR 41 Cb 0.00 -0.29 0.00 0.00 -1.10 0.00 0.00 41.96 40.57 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 -2.63 3.05 -0.19 -3.49 -6.30 -1.06 -4.19 118.70 103.88 2jmb s GLU 42 Ca -0.05 -0.86 -0.08 0.00 -2.50 0.00 0.00 54.97 51.48 2jmb s GLU 42 Cb -0.02 -2.38 -0.04 0.00 0.00 0.00 0.00 34.13 31.69 2jmb s GLU 42 CO -0.05 0.08 0.08 0.08 0.02 0.00 0.00 175.26 175.47 2jmb s VAL 43 N 0.59 4.93 -0.35 3.70 1.01 -1.26 -2.89 120.40 126.14 2jmb s VAL 43 Ca -0.12 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 2jmb s VAL 43 Cb -0.17 -3.23 0.13 0.00 0.00 0.00 0.00 36.38 33.11 2jmb s VAL 43 CO 0.03 0.45 0.19 -0.60 0.00 0.00 0.00 175.10 175.17 2jmb s ARG 44 N 0.43 0.55 -1.14 2.72 3.00 0.35 -4.88 118.95 119.98 2jmb s ARG 44 Ca 0.04 -1.23 -0.05 0.00 -1.00 0.00 0.00 55.73 53.49 2jmb s ARG 44 Cb -0.12 -1.40 0.01 0.00 0.00 0.00 0.00 34.95 33.44 2jmb s ARG 44 CO -0.00 -1.16 0.98 0.41 0.00 0.00 0.00 175.30 175.53 2jmb n GLY 45 N 4.26 -0.32 2.54 8.12 0.00 -1.26 -1.90 105.19 116.62 2jmb n GLY 45 Ca 0.08 0.10 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 -4.36 0.00 -2.71 4.61 0.00 -1.26 -4.97 120.51 111.82 2jmb n ALA 46 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.98 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 -2.56 3.46 0.01 0.00 4.02 -0.80 0.80 115.29 120.22 2jmb s HIS 47 Ca 0.00 0.72 -0.10 0.00 1.02 0.00 0.00 55.06 56.71 2jmb s HIS 47 Cb 0.00 -2.47 0.01 0.00 -1.02 0.00 0.00 32.58 29.09 2jmb s HIS 47 CO 0.00 0.15 0.19 -1.50 1.02 0.00 0.00 174.74 174.60 2jmb s ILE 48 N 0.74 0.09 0.35 0.60 -1.16 -0.43 0.13 121.20 121.52 2jmb s ILE 48 Ca 0.21 -0.71 0.04 0.00 -0.51 0.00 0.00 60.65 59.68 2jmb s ILE 48 Cb -0.14 -0.62 -0.06 0.00 0.61 0.00 0.00 42.46 42.24 2jmb s ILE 48 CO 0.07 -0.39 0.06 0.20 -2.81 0.00 0.00 174.94 172.07 2jmb s ASN 49 N -1.60 2.62 -0.20 4.50 0.01 -1.14 0.22 114.94 119.36 2jmb s ASN 49 Ca -0.11 -1.42 0.01 0.00 -0.71 0.00 0.00 52.86 50.62 2jmb s ASN 49 Cb -0.05 -0.03 0.04 0.00 0.41 0.00 0.00 41.25 41.62 2jmb s ASN 49 CO 0.00 -0.64 -0.11 -0.31 -1.51 0.00 0.00 177.10 174.54 2jmb s TYR 50 N -3.22 2.44 -0.67 2.20 2.02 0.76 -2.57 117.35 118.32 2jmb s TYR 50 Ca 0.34 -1.60 -0.06 0.00 -0.37 0.00 0.00 57.07 55.38 2jmb s TYR 50 Cb 0.08 -1.65 0.17 0.00 -0.40 0.00 0.00 41.96 40.16 2jmb s TYR 50 CO 0.15 -0.75 0.51 -0.46 -1.57 0.00 0.00 175.55 173.44 2jmb s TRP 51 N 1.39 3.50 0.85 2.71 -0.11 -0.79 0.64 118.94 127.13 2jmb s TRP 51 Ca -0.01 -2.49 -0.10 0.00 1.22 0.00 0.00 56.10 54.72 2jmb s TRP 51 Cb -0.16 -3.37 0.10 0.00 -1.50 0.00 0.00 33.47 28.54 2jmb s TRP 51 CO -0.08 -0.89 1.11 -0.51 -4.62 0.00 0.00 176.95 171.96 2jmb s ASP 52 N 1.17 3.71 0.09 5.86 1.11 0.45 -4.13 116.67 124.93 2jmb s ASP 52 Ca 0.16 1.96 0.26 0.00 0.18 0.00 0.00 52.55 55.11 2jmb s ASP 52 Cb -0.18 -2.52 0.67 0.00 1.07 0.00 0.00 42.92 41.96 2jmb s ASP 52 CO -0.05 -2.56 1.57 0.47 1.18 0.00 0.00 175.17 175.78 2jmb n ASP 53 N -3.87 0.54 -1.57 0.27 8.00 -1.26 -3.71 116.55 114.94 2jmb n ASP 53 Ca 0.10 0.22 -0.06 0.00 0.71 0.00 0.00 54.79 55.76 2jmb n ASP 53 Cb 0.53 -0.17 0.18 0.00 -0.02 0.00 0.00 41.12 41.63 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 -1.88 2.04 -1.63 -3.53 5.66 -1.26 -4.85 114.28 108.83 2jmb n THR 54 Ca 0.05 -1.02 -0.02 0.00 -3.05 0.00 0.00 64.05 60.00 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 -0.09 0.39 3.60 1.09 0.00 -1.24 -5.05 105.19 103.88 2jmb n GLY 55 Ca 0.27 -0.88 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 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 2.50 -0.22 1.61 2.19 -1.25 -5.01 117.98 115.70 2jmb s PHE 56 Ca 0.00 -0.44 -0.26 0.00 0.33 0.00 0.00 56.93 56.56 2jmb s PHE 56 Cb 0.00 -1.41 0.08 0.00 -1.31 0.00 0.00 43.02 40.38 2jmb s PHE 56 CO 0.00 0.53 0.77 0.95 1.83 0.00 0.00 175.22 179.30 2jmb s THR 57 N -2.53 0.00 -0.09 0.12 -4.23 -1.25 -0.41 115.64 107.25 2jmb s THR 57 Ca 0.34 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.81 2jmb s THR 57 Cb -0.00 -1.00 0.05 0.00 1.34 0.00 0.00 72.50 72.89 2jmb s THR 57 CO 0.18 0.00 0.17 0.00 -0.54 0.00 0.00 174.62 174.44 2jmb s ALA 58 N -0.03 -0.23 0.25 3.99 0.00 0.21 -4.92 121.76 121.03 2jmb s ALA 58 Ca -0.02 0.63 -0.10 0.00 0.00 0.00 0.00 51.96 52.48 2jmb s ALA 58 Cb -0.04 -0.79 -0.07 0.00 0.00 0.00 0.00 23.12 22.22 2jmb s ALA 58 CO 0.02 -0.51 0.57 0.16 0.00 0.00 0.00 175.76 176.00 2jmb s ASP 59 N 2.14 6.61 0.07 0.00 -4.77 -1.26 0.27 116.67 119.73 2jmb s ASP 59 Ca 0.01 0.94 -0.02 0.00 -3.30 0.00 0.00 52.55 50.18 2jmb s ASP 59 Cb -0.12 -2.23 0.01 0.00 -1.09 0.00 0.00 42.92 39.49 2jmb s ASP 59 CO -0.06 -0.11 0.13 0.61 0.70 0.00 0.00 175.17 176.44 2jmb n GLY 60 N -0.30 2.17 3.64 2.12 0.00 0.60 -2.94 105.19 110.48 2jmb n GLY 60 Ca 0.01 -1.18 -0.05 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.41 -0.52 -0.38 1.61 1.47 0.18 -1.31 116.67 116.30 2jmb s ASP 61 Ca 0.04 0.88 -0.29 0.00 1.18 0.00 0.00 52.55 54.36 2jmb s ASP 61 Cb -0.01 1.12 0.00 0.00 -0.34 0.00 0.00 42.92 43.69 2jmb s ASP 61 CO 0.03 -0.14 1.51 -0.36 0.68 0.00 0.00 175.17 176.89 2jmb s PHE 62 N 1.03 2.25 -0.47 2.11 0.08 0.24 -2.04 117.98 121.18 2jmb s PHE 62 Ca -0.05 0.66 0.23 0.00 0.12 0.00 0.00 56.93 57.89 2jmb s PHE 62 Cb -0.04 -4.25 0.36 0.00 -0.57 0.00 0.00 43.02 38.53 2jmb s PHE 62 CO -0.13 -2.25 1.54 -0.39 -0.10 0.00 0.00 175.22 173.89 2jmb h VAL 63 N 6.53 0.00 -1.90 -0.44 -1.51 -1.87 -3.47 116.25 113.58 2jmb h VAL 63 Ca -0.29 -0.89 0.00 0.00 -1.23 0.00 0.00 66.70 64.29 2jmb h VAL 63 Cb 1.12 1.80 0.00 0.00 -2.13 0.00 0.00 31.29 32.08 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 -1.23 -4.99 113.62 111.67 2jmb n SER 64 Ca 0.04 -0.90 -0.06 0.00 -1.33 0.00 0.00 58.87 56.61 2jmb n SER 64 Cb 0.51 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.87 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 0.47 0.00 -1.46 0.00 -2.02 -3.36 119.26 114.25 2jmb h ALA 65 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 53.96 2jmb h ALA 65 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2jmb h ALA 65 CO 0.00 1.22 0.00 0.09 0.00 0.00 0.00 179.25 180.56 2jmb n ASN 66 N -3.27 0.90 -4.73 0.00 5.03 -1.26 -4.96 115.26 106.97 2jmb n ASN 66 Ca -0.03 -0.99 -0.31 0.00 0.87 0.00 0.00 54.58 54.12 2jmb n ASN 66 Cb 0.93 0.01 -0.07 0.00 -1.02 0.00 0.00 39.78 39.63 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 2.77 0.02 3.52 2.12 -1.26 -0.53 118.70 125.33 2jmb s GLU 67 Ca 0.00 -0.71 0.03 0.00 0.36 0.00 0.00 54.97 54.65 2jmb s GLU 67 Cb 0.00 -2.67 -0.02 0.00 0.26 0.00 0.00 34.13 31.71 2jmb s GLU 67 CO 0.00 0.57 -0.10 -1.17 -0.54 0.00 0.00 175.26 174.03 2jmb s LEU 68 N -2.18 2.13 -0.24 2.70 1.98 0.28 -3.50 118.68 119.85 2jmb s LEU 68 Ca 0.26 -0.34 0.01 0.00 -2.89 0.00 0.00 54.13 51.16 2jmb s LEU 68 Cb -0.12 -0.39 0.06 0.00 0.66 0.00 0.00 46.19 46.40 2jmb s LEU 68 CO 0.18 -0.00 -0.03 -1.00 -1.89 0.00 0.00 176.35 173.61 2jmb s HIS 69 N -0.70 2.34 -0.01 5.38 3.76 -0.87 -0.69 115.29 124.50 2jmb s HIS 69 Ca -0.01 -1.77 0.00 0.00 -0.15 0.00 0.00 55.06 53.13 2jmb s HIS 69 Cb -0.06 -1.63 0.01 0.00 1.11 0.00 0.00 32.58 32.01 2jmb s HIS 69 CO 0.00 -0.78 0.01 -3.38 -0.85 0.00 0.00 174.74 169.75 2jmb s HIS 70 N 1.41 0.02 -1.35 1.40 -3.43 -1.07 0.50 115.29 112.78 2jmb s HIS 70 Ca -0.04 0.06 0.00 0.00 -0.80 0.00 0.00 55.06 54.28 2jmb s HIS 70 Cb -0.19 -0.12 0.00 0.00 -1.43 0.00 0.00 32.58 30.85 2jmb s HIS 70 CO -0.08 -0.04 0.00 0.41 -2.00 0.00 0.00 174.74 173.03 2jmb n GLY 71 N 3.60 0.63 1.84 -1.38 0.00 -1.15 0.35 105.19 109.08 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 -0.47 0.44 3.79 -0.02 0.00 -1.26 -5.05 105.19 102.61 2jmb n GLY 72 Ca -0.15 -0.90 -0.22 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.65 2.58 -0.31 1.61 1.00 0.16 -5.11 119.30 117.58 2jmb s MET 73 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 55.69 54.32 2jmb s MET 73 Cb 0.00 -2.35 0.07 0.00 0.00 0.00 0.00 34.83 32.55 2jmb s MET 73 CO 0.00 0.16 -0.00 0.99 0.00 0.00 0.00 175.02 176.17 2jmb s THR 74 N -2.33 2.70 -0.19 2.05 2.01 -1.26 -2.60 115.64 116.02 2jmb s THR 74 Ca 0.38 -1.65 -0.04 0.00 0.31 0.00 0.00 61.69 60.69 2jmb s THR 74 Cb -0.05 -2.65 -0.02 0.00 0.01 0.00 0.00 72.50 69.80 2jmb s THR 74 CO 0.24 -0.21 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.57 2jmb s PHE 75 N 1.15 2.98 0.05 4.92 0.08 0.13 -3.68 117.98 123.62 2jmb s PHE 75 Ca -0.03 -0.60 -0.04 0.00 0.12 0.00 0.00 56.93 56.38 2jmb s PHE 75 Cb -0.20 -2.04 -0.05 0.00 -0.57 0.00 0.00 43.02 40.16 2jmb s PHE 75 CO -0.03 -0.30 0.28 0.71 -0.10 0.00 0.00 175.22 175.77 2jmb s TYR 76 N 0.98 3.54 0.30 0.36 1.51 0.31 0.10 117.35 124.45 2jmb s TYR 76 Ca 0.00 0.48 -0.29 0.00 -1.01 0.00 0.00 57.07 56.26 2jmb s TYR 76 Cb -0.15 -1.93 -0.10 0.00 -0.11 0.00 0.00 41.96 39.68 2jmb s TYR 76 CO 0.01 0.57 1.13 0.50 -1.11 0.00 0.00 175.55 176.65 2jmb s ARG 77 N -2.15 4.53 0.00 -0.62 6.06 0.31 -0.05 118.95 127.02 2jmb s ARG 77 Ca 0.32 1.85 0.00 0.00 -2.50 0.00 0.00 55.73 55.40 2jmb s ARG 77 Cb -0.13 -3.09 0.00 0.00 0.06 0.00 0.00 34.95 31.79 2jmb s ARG 77 CO 0.21 0.09 0.00 0.39 -2.50 0.00 0.00 175.30 173.49 2jmb n GLU 78 N 0.97 -0.29 0.00 5.12 1.02 0.67 -4.86 120.64 123.27 2jmb n GLU 78 Ca -0.00 0.27 0.02 0.00 -0.02 0.00 0.00 57.16 57.43 2jmb n GLU 78 Cb 0.45 -0.27 0.02 0.00 -0.02 0.00 0.00 31.44 31.62 2jmb n GLU 78 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94