#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 1.48 -0.19 0.03 -0.21 -1.26 -4.87 119.66 114.63 2jmb s GLN 2 Ca 0.00 -1.74 0.00 0.00 0.02 0.00 0.00 55.36 53.64 2jmb s GLN 2 Cb 0.00 -1.00 0.04 0.00 1.00 0.00 0.00 33.01 33.06 2jmb s GLN 2 CO 0.00 0.00 -0.08 -1.01 -2.12 0.00 0.00 175.29 172.08 2jmb s HIS 3 N -3.13 2.18 0.99 0.91 3.76 -1.26 -5.00 115.29 113.73 2jmb s HIS 3 Ca 0.29 -1.44 -0.11 0.00 -0.15 0.00 0.00 55.06 53.65 2jmb s HIS 3 Cb 0.04 -1.53 0.17 0.00 1.11 0.00 0.00 32.58 32.38 2jmb s HIS 3 CO 0.11 -0.70 1.02 -2.30 -0.85 0.00 0.00 174.74 172.01 2jmb n PRO 4 N 4.75 -0.94 0.00 8.40 -0.02 -1.26 -4.67 135.00 141.26 2jmb n PRO 4 Ca -0.14 -0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.13 2jmb n PRO 4 Cb 0.47 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 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 -4.37 -0.18 -1.94 6.00 4.02 -1.26 -4.95 117.16 114.47 2jmb n TYR 5 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.98 2jmb n TYR 5 Cb 0.53 0.12 0.00 0.00 -0.02 0.00 0.00 39.34 39.97 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 2.81 0.00 0.00 -0.01 0.00 0.00 64.34 67.14 2jmb n VAL 6 Cb 0.00 -3.73 0.00 0.00 -0.91 0.00 0.00 33.84 29.20 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 3.73 3.37 2.92 0.00 -0.64 -4.88 105.19 110.36 2jmb n GLY 7 Ca 0.00 -0.55 -0.45 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.82 4.99 -0.54 -0.61 1.01 -1.26 0.15 121.20 123.12 2jmb s ILE 8 Ca 0.00 -1.40 -0.22 0.00 0.00 0.00 0.00 60.65 59.03 2jmb s ILE 8 Cb 0.00 -4.51 0.05 0.00 0.01 0.00 0.00 42.46 38.01 2jmb s ILE 8 CO 0.00 -1.13 0.83 0.26 0.00 0.00 0.00 174.94 174.90 2jmb s TRP 9 N 2.11 2.88 0.20 3.97 0.52 0.30 0.32 118.94 129.23 2jmb s TRP 9 Ca 0.14 -0.23 0.08 0.00 0.02 0.00 0.00 56.10 56.11 2jmb s TRP 9 Cb -0.20 -3.90 -0.04 0.00 -1.15 0.00 0.00 33.47 28.18 2jmb s TRP 9 CO 0.01 -1.26 0.00 0.08 0.02 0.00 0.00 176.95 175.80 2jmb s VAL 10 N 3.49 3.67 1.06 4.03 1.01 0.86 0.04 120.40 134.56 2jmb s VAL 10 Ca 0.25 -1.53 -0.14 0.00 0.00 0.00 0.00 61.98 60.55 2jmb s VAL 10 Cb -0.15 -2.87 0.22 0.00 0.00 0.00 0.00 36.38 33.57 2jmb s VAL 10 CO 0.16 -0.17 1.10 0.42 0.00 0.00 0.00 175.10 176.60 2jmb s THR 11 N -1.86 1.91 -0.13 3.92 -4.23 -1.12 0.76 115.64 114.88 2jmb s THR 11 Ca 0.28 0.00 0.30 0.00 -1.18 0.00 0.00 61.69 61.09 2jmb s THR 11 Cb -0.09 -2.49 0.37 0.00 1.34 0.00 0.00 72.50 71.63 2jmb s THR 11 CO 0.19 0.00 1.85 0.00 -0.54 0.00 0.00 174.62 176.12 2jmb h ALA 12 N -2.10 1.00 0.00 3.99 0.00 -1.94 -3.15 119.26 117.06 2jmb h ALA 12 Ca -0.53 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.13 2jmb h ALA 12 Cb 1.33 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 2jmb h ALA 12 CO 0.52 0.00 -2.26 -0.25 0.00 0.00 0.00 179.25 177.27 2jmb n ASP 13 N -3.02 0.04 0.00 0.00 9.92 -1.26 -5.00 116.55 117.22 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 0.38 1.31 0.00 0.00 -0.64 0.00 0.00 41.12 42.16 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 1.61 0.86 0.11 0.44 0.00 -1.19 -4.97 105.19 102.05 2jmb n GLY 14 Ca -0.24 -0.58 -0.01 0.00 0.00 0.00 0.00 46.02 45.20 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 -4.16 1.61 -0.00 -1.95 -3.47 114.38 106.42 2jmb h ARG 15 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 59.98 59.84 2jmb h ARG 15 Cb 0.33 0.00 -0.17 0.00 -0.00 0.00 0.00 29.97 30.13 2jmb h ARG 15 CO 0.00 0.61 -0.69 0.96 -0.00 0.00 0.00 179.97 180.85 2jmb s ILE 16 N -2.88 0.18 -0.02 0.08 -5.25 -1.26 -3.04 121.20 109.00 2jmb s ILE 16 Ca 0.02 -1.52 -0.00 0.00 -0.99 0.00 0.00 60.65 58.16 2jmb s ILE 16 Cb 0.08 -1.11 0.03 0.00 2.95 0.00 0.00 42.46 44.41 2jmb s ILE 16 CO 0.77 -0.84 0.03 -0.60 -1.79 0.00 0.00 174.94 172.52 2jmb s ARG 17 N -3.13 -0.04 -0.28 0.37 3.52 -0.85 -2.81 118.95 115.73 2jmb s ARG 17 Ca -0.00 0.21 -0.02 0.00 -0.13 0.00 0.00 55.73 55.79 2jmb s ARG 17 Cb 0.02 -0.29 0.04 0.00 -1.56 0.00 0.00 34.95 33.16 2jmb s ARG 17 CO -0.07 -0.19 -0.02 -1.14 -0.81 0.00 0.00 175.30 173.07 2jmb s GLN 18 N 1.23 2.60 -0.18 5.12 0.74 0.11 0.11 119.66 129.39 2jmb s GLN 18 Ca -0.07 -1.15 -0.16 0.00 0.05 0.00 0.00 55.36 54.03 2jmb s GLN 18 Cb -0.13 -3.12 -0.04 0.00 1.10 0.00 0.00 33.01 30.82 2jmb s GLN 18 CO -0.03 -0.54 0.42 -2.00 -0.55 0.00 0.00 175.29 172.59 2jmb s GLU 19 N 1.29 4.22 -0.36 1.67 2.12 0.29 0.11 118.70 128.04 2jmb s GLU 19 Ca -0.03 0.27 -0.20 0.00 0.36 0.00 0.00 54.97 55.37 2jmb s GLU 19 Cb -0.19 -3.51 0.00 0.00 0.26 0.00 0.00 34.13 30.70 2jmb s GLU 19 CO -0.02 0.01 0.60 -0.51 -0.54 0.00 0.00 175.26 174.80 2jmb s LEU 20 N 1.13 4.31 0.73 2.70 1.43 0.40 0.11 118.68 129.49 2jmb s LEU 20 Ca 0.21 0.04 -0.13 0.00 -1.03 0.00 0.00 54.13 53.23 2jmb s LEU 20 Cb -0.15 -2.72 0.04 0.00 0.03 0.00 0.00 46.19 43.40 2jmb s LEU 20 CO 0.08 -0.57 1.11 -0.76 0.23 0.00 0.00 176.35 176.44 2jmb s LEU 21 N 2.62 3.19 0.18 1.79 1.02 0.39 -1.62 118.68 126.24 2jmb s LEU 21 Ca 0.22 1.96 0.16 0.00 0.02 0.00 0.00 54.13 56.49 2jmb s LEU 21 Cb -0.15 -4.54 0.77 0.00 0.02 0.00 0.00 46.19 42.29 2jmb s LEU 21 CO 0.15 -1.95 1.50 -2.65 0.02 0.00 0.00 176.35 173.41 2jmb n PRO 22 N -3.06 0.10 -0.66 1.29 -0.02 -1.26 -1.42 135.00 129.97 2jmb n PRO 22 Ca 0.10 0.47 0.04 0.00 -2.02 0.00 0.00 63.50 62.10 2jmb n PRO 22 Cb 0.52 -1.75 0.29 0.00 -0.02 0.00 0.00 33.50 32.54 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 -1.95 4.41 -3.01 2.55 5.15 -1.26 -4.88 115.26 116.26 2jmb n ASN 23 Ca 0.01 -2.70 -0.14 0.00 -0.60 0.00 0.00 54.58 51.15 2jmb n ASN 23 Cb 0.11 -0.64 0.07 0.00 -0.53 0.00 0.00 39.78 38.79 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 -0.26 3.26 8.20 0.00 -0.51 -4.89 105.19 111.40 2jmb n GLY 24 Ca 0.21 0.03 -0.20 0.00 0.00 0.00 0.00 46.02 46.06 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 -4.44 116.66 110.57 2jmb n ARG 25 Ca -0.23 -3.39 -0.14 0.00 -1.93 0.00 0.00 57.85 52.17 2jmb n ARG 25 Cb 0.64 2.74 -0.12 0.00 -1.16 0.00 0.00 32.46 34.56 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 -3.36 0.72 -0.21 -1.55 -0.85 -1.23 0.15 117.35 111.01 2jmb s TYR 26 Ca 0.40 -0.47 -0.04 0.00 -0.52 0.00 0.00 57.07 56.44 2jmb s TYR 26 Cb 0.02 -0.43 0.10 0.00 0.38 0.00 0.00 41.96 42.03 2jmb s TYR 26 CO 0.28 -0.06 0.24 -0.51 -1.52 0.00 0.00 175.55 173.97 2jmb s ASP 27 N -1.49 1.30 -0.15 -0.18 1.11 0.29 -2.69 116.67 114.86 2jmb s ASP 27 Ca -0.08 -0.21 -0.06 0.00 0.18 0.00 0.00 52.55 52.38 2jmb s ASP 27 Cb -0.09 0.44 -0.04 0.00 1.07 0.00 0.00 42.92 44.30 2jmb s ASP 27 CO 0.01 -0.33 0.07 -0.70 1.18 0.00 0.00 175.17 175.40 2jmb s GLU 28 N 2.34 3.66 -0.32 8.23 2.12 -0.87 0.10 118.70 133.98 2jmb s GLU 28 Ca 0.08 -0.31 0.02 0.00 0.36 0.00 0.00 54.97 55.11 2jmb s GLU 28 Cb -0.16 -3.13 0.08 0.00 0.26 0.00 0.00 34.13 31.19 2jmb s GLU 28 CO -0.13 0.47 0.01 0.00 -0.54 0.00 0.00 175.26 175.07 2jmb s ALA 29 N -0.19 2.81 -0.37 6.30 0.00 0.31 -2.09 121.76 128.53 2jmb s ALA 29 Ca 0.08 -2.13 -0.13 0.00 0.00 0.00 0.00 51.96 49.78 2jmb s ALA 29 Cb -0.12 -1.90 0.01 0.00 0.00 0.00 0.00 23.12 21.11 2jmb s ALA 29 CO 0.01 -1.46 0.24 1.03 0.00 0.00 0.00 175.76 175.58 2jmb s ARG 30 N 1.07 3.07 2.82 0.00 0.52 -1.00 -2.00 118.95 123.43 2jmb s ARG 30 Ca 0.01 -0.93 0.00 0.00 -0.52 0.00 0.00 55.73 54.29 2jmb s ARG 30 Cb -0.20 -3.81 0.00 0.00 0.52 0.00 0.00 34.95 31.46 2jmb s ARG 30 CO -0.05 -0.63 0.00 0.41 0.02 0.00 0.00 175.30 175.05 2jmb n GLY 31 N 5.08 0.95 0.34 -3.53 0.00 -1.17 -1.95 105.19 104.90 2jmb n GLY 31 Ca -0.12 -0.67 0.18 0.00 0.00 0.00 0.00 46.02 45.41 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 4.82 0.00 -2.57 1.61 -1.24 -1.94 -3.30 115.58 112.95 2jmb h ASN 32 Ca 0.00 0.00 -0.74 0.00 0.71 0.00 0.00 56.30 56.27 2jmb h ASN 32 Cb 0.00 0.00 -0.20 0.00 0.73 0.00 0.00 38.32 38.85 2jmb h ASN 32 CO 0.00 0.00 0.97 -0.60 -1.29 0.00 0.00 177.43 176.51 2jmb s ARG 33 N -4.35 3.92 0.74 6.67 6.06 -0.82 -5.02 118.95 126.16 2jmb s ARG 33 Ca -0.04 -2.42 -0.09 0.00 -2.50 0.00 0.00 55.73 50.67 2jmb s ARG 33 Cb 0.13 -4.90 0.06 0.00 0.06 0.00 0.00 34.95 30.30 2jmb s ARG 33 CO 0.43 -1.66 1.08 -1.59 -2.50 0.00 0.00 175.30 171.07 2jmb s LYS 34 N 1.38 2.20 -1.04 5.12 0.00 -1.24 -2.38 119.74 123.78 2jmb s LYS 34 Ca 0.36 -0.03 -0.00 0.00 0.00 0.00 0.00 55.97 56.30 2jmb s LYS 34 Cb -0.05 -2.07 0.00 0.00 0.00 0.00 0.00 37.83 35.71 2jmb s LYS 34 CO -0.05 -1.33 0.01 0.43 0.00 0.00 0.00 175.35 174.41 2jmb n SER 35 N -3.07 -3.87 -0.15 0.03 7.64 -1.10 -4.83 113.62 108.27 2jmb n SER 35 Ca 0.08 0.19 -0.03 0.00 1.01 0.00 0.00 58.87 60.12 2jmb n SER 35 Cb 0.60 -3.29 0.06 0.00 -1.01 0.00 0.00 64.21 60.57 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 0.53 -2.83 -0.43 0.00 -1.55 -3.44 119.26 112.54 2jmb h ALA 36 Ca -0.29 0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 2jmb h ALA 36 Cb 1.22 0.13 -0.23 0.00 0.00 0.00 0.00 17.79 18.90 2jmb h ALA 36 CO 0.34 -0.31 -0.34 0.71 0.00 0.00 0.00 179.25 179.66 2jmb s TYR 37 N -6.14 -0.27 -0.02 0.00 1.51 -1.25 -5.07 117.35 106.11 2jmb s TYR 37 Ca -0.13 0.61 -0.19 0.00 -1.01 0.00 0.00 57.07 56.35 2jmb s TYR 37 Cb 0.15 0.10 0.03 0.00 -0.11 0.00 0.00 41.96 42.13 2jmb s TYR 37 CO 0.72 -0.24 0.40 -0.65 -1.11 0.00 0.00 175.55 174.67 2jmb s GLN 38 N -0.36 0.76 0.00 -0.62 1.11 -1.26 -2.04 119.66 117.25 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 -0.22 0.00 0.41 0.01 0.00 0.00 175.29 175.51 2jmb n GLY 39 N 1.18 1.21 3.46 3.09 0.00 -1.10 -4.64 105.19 108.40 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 1.30 0.05 1.61 3.03 -1.26 -3.58 118.95 123.32 2jmb s ARG 40 Ca 0.00 -0.89 0.00 0.00 2.03 0.00 0.00 55.73 56.88 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 -0.05 1.52 -1.13 0.00 0.00 175.30 175.11 2jmb s TYR 41 N -3.88 0.58 -0.12 5.89 -0.85 -1.26 -1.14 117.35 116.57 2jmb s TYR 41 Ca 0.09 -0.83 0.03 0.00 -0.52 0.00 0.00 57.07 55.84 2jmb s TYR 41 Cb 0.00 -0.38 0.01 0.00 0.38 0.00 0.00 41.96 41.97 2jmb s TYR 41 CO -0.04 -0.24 -0.23 -2.00 -1.52 0.00 0.00 175.55 171.53 2jmb s GLU 42 N -3.04 3.04 -0.19 -3.49 2.12 -0.92 -4.21 118.70 112.00 2jmb s GLU 42 Ca 0.01 -0.86 -0.07 0.00 0.36 0.00 0.00 54.97 54.40 2jmb s GLU 42 Cb 0.01 -2.38 -0.04 0.00 0.26 0.00 0.00 34.13 31.98 2jmb s GLU 42 CO -0.05 0.07 0.06 0.08 -0.54 0.00 0.00 175.26 174.87 2jmb s VAL 43 N 0.61 4.60 -0.27 3.70 1.01 -1.26 -2.72 120.40 126.06 2jmb s VAL 43 Ca -0.12 -0.10 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 2jmb s VAL 43 Cb -0.17 -3.08 0.10 0.00 0.00 0.00 0.00 36.38 33.23 2jmb s VAL 43 CO 0.03 0.43 0.13 -0.13 0.00 0.00 0.00 175.10 175.56 2jmb s ARG 44 N 0.66 0.17 -1.36 2.72 0.52 0.26 -4.85 118.95 117.07 2jmb s ARG 44 Ca 0.03 -0.45 -0.08 0.00 -0.52 0.00 0.00 55.73 54.71 2jmb s ARG 44 Cb -0.13 -1.24 0.02 0.00 0.52 0.00 0.00 34.95 34.12 2jmb s ARG 44 CO 0.02 -0.97 1.08 0.41 0.02 0.00 0.00 175.30 175.86 2jmb n GLY 45 N 5.26 -0.48 2.80 -3.53 0.00 -1.26 -1.00 105.19 106.97 2jmb n GLY 45 Ca -0.06 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -4.73 0.00 -2.68 4.61 0.00 -1.26 -4.95 120.51 111.50 2jmb n ALA 46 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.00 2jmb n ALA 46 Cb 0.58 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.96 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 -3.26 3.40 0.03 0.00 4.02 -0.17 0.11 115.29 119.43 2jmb s HIS 47 Ca 0.00 0.66 0.02 0.00 1.02 0.00 0.00 55.06 56.77 2jmb s HIS 47 Cb 0.00 -2.53 -0.02 0.00 -1.02 0.00 0.00 32.58 29.01 2jmb s HIS 47 CO 0.00 0.02 -0.08 -1.50 1.02 0.00 0.00 174.74 174.20 2jmb s ILE 48 N 1.19 0.58 0.02 0.60 -1.16 -0.15 0.91 121.20 123.20 2jmb s ILE 48 Ca 0.20 -0.92 0.02 0.00 -0.51 0.00 0.00 60.65 59.44 2jmb s ILE 48 Cb -0.15 -0.61 -0.02 0.00 0.61 0.00 0.00 42.46 42.30 2jmb s ILE 48 CO 0.08 -0.26 -0.08 0.20 -2.81 0.00 0.00 174.94 172.08 2jmb s ASN 49 N -1.29 0.88 -0.32 4.50 -0.87 -1.10 0.20 114.94 116.95 2jmb s ASN 49 Ca -0.07 -0.36 -0.14 0.00 -1.57 0.00 0.00 52.86 50.72 2jmb s ASN 49 Cb -0.08 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.25 41.10 2jmb s ASN 49 CO 0.00 -0.07 0.32 -0.31 -2.57 0.00 0.00 177.10 174.47 2jmb s TYR 50 N -0.83 3.22 -0.67 2.20 2.02 -0.40 -2.17 117.35 120.72 2jmb s TYR 50 Ca -0.04 0.05 -0.06 0.00 -0.37 0.00 0.00 57.07 56.66 2jmb s TYR 50 Cb -0.07 -2.57 0.17 0.00 -0.40 0.00 0.00 41.96 39.09 2jmb s TYR 50 CO 0.00 -0.34 0.51 -0.46 -1.57 0.00 0.00 175.55 173.70 2jmb s TRP 51 N 1.94 3.50 0.66 2.71 -0.00 -0.30 0.12 118.94 127.57 2jmb s TRP 51 Ca 0.11 -2.51 -0.14 0.00 -0.00 0.00 0.00 56.10 53.55 2jmb s TRP 51 Cb -0.16 -3.36 -0.00 0.00 -0.00 0.00 0.00 33.47 29.95 2jmb s TRP 51 CO 0.11 -0.88 1.10 -0.51 -0.00 0.00 0.00 176.95 176.76 2jmb s ASP 52 N 1.13 5.17 0.08 5.86 1.11 0.31 -3.98 116.67 126.35 2jmb s ASP 52 Ca 0.17 1.94 0.26 0.00 0.18 0.00 0.00 52.55 55.09 2jmb s ASP 52 Cb -0.18 -2.54 0.67 0.00 1.07 0.00 0.00 42.92 41.94 2jmb s ASP 52 CO -0.05 -1.59 1.57 -0.67 1.18 0.00 0.00 175.17 175.62 2jmb n ASP 53 N -2.49 0.52 -1.43 0.27 2.03 -1.26 -3.73 116.55 110.46 2jmb n ASP 53 Ca 0.10 0.21 -0.04 0.00 0.52 0.00 0.00 54.79 55.58 2jmb n ASP 53 Cb 0.52 -0.16 0.16 0.00 -0.72 0.00 0.00 41.12 40.93 2jmb n ASP 53 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2jmb n THR 54 N -1.86 1.79 -1.31 5.18 5.66 -1.26 -4.85 114.28 117.64 2jmb n THR 54 Ca 0.05 -0.87 0.00 0.00 -3.05 0.00 0.00 64.05 60.18 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 0.02 0.40 3.52 1.09 0.00 -1.24 -5.06 105.19 103.91 2jmb n GLY 55 Ca 0.23 -1.01 -0.25 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.00 2.37 -0.22 1.61 2.19 -1.25 -5.02 117.98 115.65 2jmb s PHE 56 Ca 0.00 -0.45 -0.24 0.00 0.33 0.00 0.00 56.93 56.57 2jmb s PHE 56 Cb 0.00 -1.26 0.06 0.00 -1.31 0.00 0.00 43.02 40.51 2jmb s PHE 56 CO 0.00 0.63 0.66 0.95 1.83 0.00 0.00 175.22 179.29 2jmb s THR 57 N -2.58 0.00 0.45 0.12 -4.23 -1.25 -0.53 115.64 107.62 2jmb s THR 57 Ca 0.32 -0.01 0.03 0.00 -1.18 0.00 0.00 61.69 60.85 2jmb s THR 57 Cb 0.00 -0.93 -0.02 0.00 1.34 0.00 0.00 72.50 72.89 2jmb s THR 57 CO 0.16 -0.00 0.09 0.00 -0.54 0.00 0.00 174.62 174.32 2jmb s ALA 58 N 0.15 3.38 -0.03 3.99 0.00 0.33 -4.92 121.76 124.66 2jmb s ALA 58 Ca -0.01 -0.90 -0.13 0.00 0.00 0.00 0.00 51.96 50.92 2jmb s ALA 58 Cb -0.04 0.49 0.02 0.00 0.00 0.00 0.00 23.12 23.59 2jmb s ALA 58 CO 0.02 -0.22 0.29 0.34 0.00 0.00 0.00 175.76 176.19 2jmb s ASP 59 N -3.71 -0.19 0.08 0.00 -1.08 -1.26 -1.28 116.67 109.23 2jmb s ASP 59 Ca 0.17 0.16 -0.06 0.00 -0.52 0.00 0.00 52.55 52.30 2jmb s ASP 59 Cb 0.02 0.37 0.02 0.00 -1.46 0.00 0.00 42.92 41.87 2jmb s ASP 59 CO 0.10 -0.37 0.31 0.61 0.52 0.00 0.00 175.17 176.35 2jmb n GLY 60 N 1.64 1.28 3.64 2.66 0.00 0.54 -1.88 105.19 113.07 2jmb n GLY 60 Ca -0.20 -1.03 -0.03 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.75 -0.57 -0.33 1.61 -4.77 0.32 -0.97 116.67 110.21 2jmb s ASP 61 Ca 0.07 0.91 -0.29 0.00 -3.30 0.00 0.00 52.55 49.95 2jmb s ASP 61 Cb -0.01 1.22 -0.01 0.00 -1.09 0.00 0.00 42.92 43.03 2jmb s ASP 61 CO 0.03 -0.14 1.69 -0.36 0.70 0.00 0.00 175.17 177.09 2jmb s PHE 62 N 1.35 1.97 -0.48 2.11 0.08 0.31 -2.27 117.98 121.04 2jmb s PHE 62 Ca -0.09 0.62 0.24 0.00 0.12 0.00 0.00 56.93 57.82 2jmb s PHE 62 Cb -0.04 -4.16 0.33 0.00 -0.57 0.00 0.00 43.02 38.58 2jmb s PHE 62 CO -0.15 -2.75 1.41 -0.39 -0.10 0.00 0.00 175.22 173.24 2jmb h VAL 63 N 6.67 0.00 -1.64 -0.44 -1.51 -1.87 -3.47 116.25 113.99 2jmb h VAL 63 Ca -0.32 -0.79 0.00 0.00 -1.23 0.00 0.00 66.70 64.36 2jmb h VAL 63 Cb 1.15 1.55 0.00 0.00 -2.13 0.00 0.00 31.29 31.86 2jmb h VAL 63 CO 1.04 0.00 0.00 -0.24 -1.23 0.00 0.00 177.57 177.14 2jmb n SER 64 N -2.60 0.00 0.06 4.19 2.88 -1.23 -4.99 113.62 111.93 2jmb n SER 64 Ca 0.03 -0.64 -0.02 0.00 -1.33 0.00 0.00 58.87 56.91 2jmb n SER 64 Cb 0.50 0.00 -0.07 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 1.36 0.61 0.00 -1.46 0.00 -2.02 -3.37 119.26 114.38 2jmb h ALA 65 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.08 2jmb h ALA 65 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2jmb h ALA 65 CO 0.00 1.00 0.00 0.09 0.00 0.00 0.00 179.25 180.34 2jmb n ASN 66 N -3.12 0.80 -4.72 0.00 5.03 -1.26 -4.97 115.26 107.02 2jmb n ASN 66 Ca -0.05 -1.07 -0.32 0.00 0.87 0.00 0.00 54.58 54.01 2jmb n ASN 66 Cb 0.86 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 39.54 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 -0.07 2.79 0.01 3.52 2.12 -1.26 -0.83 118.70 124.98 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 -2.68 -0.01 0.00 0.26 0.00 0.00 34.13 31.70 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 -1.92 2.09 -0.25 2.70 1.98 0.32 -3.55 118.68 120.06 2jmb s LEU 68 Ca 0.23 -0.32 0.01 0.00 -2.89 0.00 0.00 54.13 51.16 2jmb s LEU 68 Cb -0.12 -0.57 0.07 0.00 0.66 0.00 0.00 46.19 46.23 2jmb s LEU 68 CO 0.15 0.08 -0.02 -1.00 -1.89 0.00 0.00 176.35 173.67 2jmb s HIS 69 N -0.54 2.35 -0.06 5.38 3.76 -0.96 -0.65 115.29 124.57 2jmb s HIS 69 Ca 0.03 -1.81 -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 1.41 -0.16 -1.88 1.40 -3.43 -1.10 0.12 115.29 111.64 2jmb s HIS 70 Ca -0.02 0.43 0.00 0.00 -0.80 0.00 0.00 55.06 54.67 2jmb s HIS 70 Cb -0.19 -0.00 0.00 0.00 -1.43 0.00 0.00 32.58 30.96 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 3.54 1.33 1.97 -1.38 0.00 -0.79 -0.50 105.19 109.38 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 0.39 3.72 -0.02 0.00 -1.26 -5.05 105.19 102.51 2jmb n GLY 72 Ca -0.19 -1.05 -0.23 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.31 2.34 -0.30 1.61 1.00 0.35 -5.11 119.30 116.88 2jmb s MET 73 Ca 0.00 -1.55 0.02 0.00 0.00 0.00 0.00 55.69 54.16 2jmb s MET 73 Cb 0.00 -2.16 0.07 0.00 0.00 0.00 0.00 34.83 32.74 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 -2.42 2.46 -0.18 2.05 2.01 -1.26 -2.71 115.64 115.59 2jmb s THR 74 Ca 0.37 -1.75 -0.04 0.00 0.31 0.00 0.00 61.69 60.58 2jmb s THR 74 Cb -0.03 -2.53 -0.02 0.00 0.01 0.00 0.00 72.50 69.93 2jmb s THR 74 CO 0.22 -0.21 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.56 2jmb s PHE 75 N 1.10 3.01 0.01 4.92 0.08 0.17 -3.50 117.98 123.77 2jmb s PHE 75 Ca -0.03 -0.46 -0.00 0.00 0.12 0.00 0.00 56.93 56.55 2jmb s PHE 75 Cb -0.20 -2.03 -0.04 0.00 -0.57 0.00 0.00 43.02 40.19 2jmb s PHE 75 CO -0.05 -0.20 0.13 0.71 -0.10 0.00 0.00 175.22 175.71 2jmb s TYR 76 N 0.78 3.37 0.08 0.36 1.51 0.23 0.12 117.35 123.81 2jmb s TYR 76 Ca -0.01 0.24 -0.30 0.00 -1.01 0.00 0.00 57.07 55.98 2jmb s TYR 76 Cb -0.14 -1.75 -0.06 0.00 -0.11 0.00 0.00 41.96 39.90 2jmb s TYR 76 CO 0.02 0.58 1.18 0.50 -1.11 0.00 0.00 175.55 176.72 2jmb s ARG 77 N -1.99 4.46 0.00 -0.62 6.06 -0.01 -0.10 118.95 126.75 2jmb s ARG 77 Ca 0.27 1.76 0.00 0.00 -2.50 0.00 0.00 55.73 55.26 2jmb s ARG 77 Cb -0.12 -3.33 0.00 0.00 0.06 0.00 0.00 34.95 31.55 2jmb s ARG 77 CO 0.18 -0.21 0.00 -1.91 -2.50 0.00 0.00 175.30 170.87 2jmb n GLU 78 N 3.66 0.00 -0.47 5.12 2.13 0.95 -4.92 120.64 127.11 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 0.46 -0.65 0.00 0.00 0.27 0.00 0.00 31.44 31.52 2jmb n GLU 78 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35