#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmc s ALA 2 N 0.00 3.74 0.96 4.61 0.00 -1.26 -5.09 121.76 124.72 2jmc s ALA 2 Ca 0.00 -0.68 -0.14 0.00 0.00 0.00 0.00 51.96 51.14 2jmc s ALA 2 Cb 0.00 -2.06 0.10 0.00 0.00 0.00 0.00 23.12 21.16 2jmc s ALA 2 CO 0.00 0.35 0.03 -0.12 0.00 0.00 0.00 175.76 176.02 2jmc n MET 3 N 2.89 -1.65 -2.18 0.00 0.00 -1.26 -4.87 117.12 110.05 2jmc n MET 3 Ca -0.18 -0.48 -0.37 0.00 0.00 0.00 0.00 57.70 56.67 2jmc n MET 3 Cb 0.53 -1.40 -0.00 0.00 0.00 0.00 0.00 33.22 32.35 2jmc n MET 3 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2jmc s GLY 4 N -1.73 2.80 0.00 -5.12 0.00 -1.26 -4.89 107.32 97.12 2jmc s GLY 4 Ca 0.34 1.00 0.11 0.00 0.00 0.00 0.00 44.72 46.18 2jmc s GLY 4 CO 0.37 1.47 1.11 -1.55 0.00 0.00 0.00 173.10 174.51 2jmc n PRO 5 N -0.52 0.49 -1.90 2.90 -0.04 -1.26 -3.95 135.00 130.72 2jmc n PRO 5 Ca 0.07 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.15 2jmc n PRO 5 Cb 0.47 -1.36 -0.03 0.00 -0.04 0.00 0.00 33.50 32.55 2jmc n PRO 5 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2jmc s ARG 6 N -2.00 2.50 -0.29 0.54 1.81 -1.26 -4.77 118.95 115.48 2jmc s ARG 6 Ca 0.17 0.87 0.03 0.00 -1.72 0.00 0.00 55.73 55.07 2jmc s ARG 6 Cb 0.08 -4.44 0.08 0.00 -0.45 0.00 0.00 34.95 30.22 2jmc s ARG 6 CO 0.13 -2.86 -0.01 -1.21 -0.68 0.00 0.00 175.30 170.67 2jmc s GLU 7 N 7.34 1.67 -0.21 3.54 2.02 -1.26 0.15 118.70 131.95 2jmc s GLU 7 Ca 0.76 -1.49 -0.20 0.00 0.02 0.00 0.00 54.97 54.07 2jmc s GLU 7 Cb -0.14 -2.89 -0.03 0.00 0.10 0.00 0.00 34.13 31.17 2jmc s GLU 7 CO 0.23 -0.77 0.58 0.54 0.02 0.00 0.00 175.26 175.86 2jmc s VAL 8 N 1.11 5.05 -0.12 2.63 0.11 -0.84 -4.79 120.40 123.56 2jmc s VAL 8 Ca 0.02 1.08 0.01 0.00 -2.93 0.00 0.00 61.98 60.15 2jmc s VAL 8 Cb -0.19 -3.90 0.02 0.00 -1.53 0.00 0.00 36.38 30.78 2jmc s VAL 8 CO -0.08 0.13 -0.12 0.42 -3.33 0.00 0.00 175.10 172.11 2jmc s THR 9 N 1.87 1.35 0.09 5.04 -4.23 -1.26 0.27 115.64 118.77 2jmc s THR 9 Ca 0.26 -0.52 -0.19 0.00 -1.18 0.00 0.00 61.69 60.06 2jmc s THR 9 Cb -0.16 -1.28 -0.07 0.00 1.34 0.00 0.00 72.50 72.33 2jmc s THR 9 CO 0.10 0.42 0.59 -0.04 -0.54 0.00 0.00 174.62 175.14 2jmc s MET 10 N 1.36 4.21 -0.07 3.99 -1.94 0.33 -4.88 119.30 122.30 2jmc s MET 10 Ca 0.00 0.75 0.05 0.00 -1.71 0.00 0.00 55.69 54.79 2jmc s MET 10 Cb -0.13 -3.21 -0.00 0.00 2.01 0.00 0.00 34.83 33.49 2jmc s MET 10 CO -0.06 0.62 -0.23 0.21 -0.01 0.00 0.00 175.02 175.55 2jmc s LYS 11 N -1.19 2.54 -0.33 2.03 2.47 -1.26 -0.30 119.74 123.71 2jmc s LYS 11 Ca 0.30 -0.82 -0.36 0.00 -1.56 0.00 0.00 55.97 53.53 2jmc s LYS 11 Cb -0.19 -2.06 -0.12 0.00 -1.46 0.00 0.00 37.83 33.99 2jmc s LYS 11 CO 0.20 0.27 2.12 1.17 0.16 0.00 0.00 175.35 179.27 2jmc n LYS 12 N 3.22 1.12 -0.33 4.03 4.81 -1.25 -2.23 118.16 127.53 2jmc n LYS 12 Ca -0.18 0.33 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 2jmc n LYS 12 Cb 0.52 -2.40 0.00 0.00 0.02 0.00 0.00 35.03 33.17 2jmc n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jmc n GLY 13 N 6.18 0.74 3.03 3.14 0.00 -0.77 -5.04 105.19 112.47 2jmc n GLY 13 Ca 0.39 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 46.24 2jmc n GLY 13 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jmc s ASP 14 N -1.71 0.25 -0.37 1.61 -1.08 -0.95 -4.97 116.67 109.46 2jmc s ASP 14 Ca 0.00 -0.56 -0.07 0.00 -0.52 0.00 0.00 52.55 51.40 2jmc s ASP 14 Cb 0.00 0.15 0.05 0.00 -1.46 0.00 0.00 42.92 41.66 2jmc s ASP 14 CO 0.00 -0.39 0.16 -0.63 0.52 0.00 0.00 175.17 174.83 2jmc s ILE 15 N -2.04 3.96 -0.18 4.11 1.01 -1.26 -0.59 121.20 126.21 2jmc s ILE 15 Ca -0.10 -1.23 -0.06 0.00 0.00 0.00 0.00 60.65 59.26 2jmc s ILE 15 Cb -0.05 -3.32 -0.03 0.00 0.01 0.00 0.00 42.46 39.07 2jmc s ILE 15 CO -0.03 -0.30 0.02 -0.76 0.00 0.00 0.00 174.94 173.86 2jmc s LEU 16 N 1.41 3.46 -0.17 2.97 1.02 -0.99 -4.93 118.68 121.45 2jmc s LEU 16 Ca 0.01 -0.08 -0.42 0.00 0.02 0.00 0.00 54.13 53.66 2jmc s LEU 16 Cb -0.21 -1.87 -0.19 0.00 0.02 0.00 0.00 46.19 43.94 2jmc s LEU 16 CO 0.03 0.13 1.31 0.41 0.02 0.00 0.00 176.35 178.25 2jmc n THR 17 N 3.83 0.02 -1.06 5.49 -1.04 -1.23 -2.51 114.28 117.79 2jmc n THR 17 Ca -0.17 -0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.42 2jmc n THR 17 Cb 0.52 -0.33 -0.06 0.00 -1.82 0.00 0.00 70.33 68.64 2jmc n THR 17 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2jmc n LEU 18 N 2.67 3.85 0.00 -4.42 -0.00 0.16 -2.65 117.00 116.60 2jmc n LEU 18 Ca 0.24 -2.76 -0.18 0.00 -0.00 0.00 0.00 56.01 53.31 2jmc n LEU 18 Cb 0.05 -1.05 0.17 0.00 -0.00 0.00 0.00 43.42 42.59 2jmc n LEU 18 CO 0.72 -0.44 0.20 0.18 -0.00 0.00 0.00 177.39 178.05 2jmc n LEU 19 N 7.35 0.00 -4.37 -1.96 4.32 -0.10 -4.65 117.00 117.59 2jmc n LEU 19 Ca 0.49 -0.51 -0.58 0.00 -0.02 0.00 0.00 56.01 55.38 2jmc n LEU 19 Cb 0.38 -0.65 -0.10 0.00 -1.62 0.00 0.00 43.42 41.43 2jmc n LEU 19 CO 1.03 -2.34 1.68 0.59 -1.22 0.00 0.00 177.39 177.13 2jmc n ASN 20 N -3.58 1.25 -1.75 -1.43 4.13 -1.26 -4.39 115.26 108.23 2jmc n ASN 20 Ca 0.08 0.67 0.06 0.00 1.68 0.00 0.00 54.58 57.08 2jmc n ASN 20 Cb 0.35 -1.01 0.37 0.00 -1.54 0.00 0.00 39.78 37.95 2jmc n ASN 20 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2jmc n SER 21 N 7.72 5.26 -0.25 6.41 3.41 -1.26 -1.50 113.62 133.41 2jmc n SER 21 Ca 0.48 -2.83 -0.06 0.00 -0.26 0.00 0.00 58.87 56.19 2jmc n SER 21 Cb 0.04 -0.67 -0.06 0.00 -0.26 0.00 0.00 64.21 63.26 2jmc n SER 21 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2jmc n THR 22 N 0.57 -0.40 -1.46 6.66 -2.24 -1.26 -4.36 114.28 111.80 2jmc n THR 22 Ca 0.25 1.50 -0.35 0.00 -2.27 0.00 0.00 64.05 63.18 2jmc n THR 22 Cb 1.10 -1.87 0.09 0.00 -2.10 0.00 0.00 70.33 67.56 2jmc n THR 22 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2jmc s ASN 23 N -5.11 4.15 -0.19 3.42 -0.87 -1.23 -4.97 114.94 110.14 2jmc s ASN 23 Ca -0.07 2.48 -0.19 0.00 -1.57 0.00 0.00 52.86 53.51 2jmc s ASN 23 Cb 0.06 -2.60 -0.21 0.00 -0.02 0.00 0.00 41.25 38.48 2jmc s ASN 23 CO 0.36 -2.30 0.27 0.11 -2.57 0.00 0.00 177.10 172.97 2jmc h LYS 24 N -0.14 0.06 0.00 -0.60 1.57 -2.01 -3.38 116.57 112.07 2jmc h LYS 24 Ca -0.49 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.19 2jmc h LYS 24 Cb 1.31 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.66 2jmc h LYS 24 CO 0.50 1.05 -0.35 -0.44 -0.57 0.00 0.00 179.45 179.64 2jmc h ASP 25 N -0.77 0.00 -3.35 0.86 3.32 -1.94 -3.44 116.42 111.11 2jmc h ASP 25 Ca -0.36 -0.11 -0.57 0.00 0.02 0.00 0.00 57.03 56.01 2jmc h ASP 25 Cb 1.46 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 40.63 2jmc h ASP 25 CO -0.14 0.06 -0.80 0.26 -1.72 0.00 0.00 179.24 176.90 2jmc s TRP 26 N -3.15 1.86 -0.28 4.55 0.52 -1.26 -1.45 118.94 119.74 2jmc s TRP 26 Ca 0.08 -1.20 -0.06 0.00 0.02 0.00 0.00 56.10 54.94 2jmc s TRP 26 Cb 0.13 -1.39 0.01 0.00 -1.15 0.00 0.00 33.47 31.06 2jmc s TRP 26 CO 0.67 -0.65 0.05 -1.58 0.02 0.00 0.00 176.95 175.47 2jmc s TRP 27 N 1.58 3.11 0.27 -1.98 0.52 0.42 -3.54 118.94 119.32 2jmc s TRP 27 Ca 0.00 -0.98 -0.30 0.00 0.02 0.00 0.00 56.10 54.84 2jmc s TRP 27 Cb -0.15 -2.22 -0.11 0.00 -1.15 0.00 0.00 33.47 29.84 2jmc s TRP 27 CO -0.08 -0.57 1.58 0.21 0.02 0.00 0.00 176.95 178.12 2jmc s LYS 28 N 1.49 4.15 -0.07 4.98 2.20 -0.56 -3.12 119.74 128.81 2jmc s LYS 28 Ca 0.03 2.52 -0.06 0.00 -0.36 0.00 0.00 55.97 58.10 2jmc s LYS 28 Cb -0.17 -3.05 0.02 0.00 -1.51 0.00 0.00 37.83 33.12 2jmc s LYS 28 CO 0.01 -0.61 0.18 0.14 -0.36 0.00 0.00 175.35 174.71 2jmc s VAL 29 N 0.20 -0.00 0.26 4.02 -7.23 -0.66 -0.93 120.40 116.07 2jmc s VAL 29 Ca 0.64 0.00 -0.05 0.00 -1.81 0.00 0.00 61.98 60.76 2jmc s VAL 29 Cb -0.47 -0.26 -0.05 0.00 0.56 0.00 0.00 36.38 36.16 2jmc s VAL 29 CO 0.44 0.00 0.53 -0.70 -0.31 0.00 0.00 175.10 175.06 2jmc s GLU 30 N 0.12 3.65 -0.50 4.82 2.12 -1.09 -2.57 118.70 125.24 2jmc s GLU 30 Ca -0.00 0.02 0.05 0.00 0.36 0.00 0.00 54.97 55.40 2jmc s GLU 30 Cb -0.01 -2.67 0.19 0.00 0.26 0.00 0.00 34.13 31.90 2jmc s GLU 30 CO 0.00 0.26 0.45 0.28 -0.54 0.00 0.00 175.26 175.71 2jmc n VAL 31 N -0.71 -0.05 0.00 3.70 0.31 0.46 -3.53 118.33 118.50 2jmc n VAL 31 Ca -0.02 -4.07 0.00 0.00 -0.01 0.00 0.00 64.34 60.24 2jmc n VAL 31 Cb 0.53 -1.89 0.00 0.00 -0.91 0.00 0.00 33.84 31.58 2jmc n VAL 31 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2jmc n ASN 32 N 2.16 0.00 0.00 4.52 3.02 -1.26 -1.67 115.26 122.03 2jmc n ASN 32 Ca 0.26 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 2jmc n ASN 32 Cb 0.45 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 2jmc n ASN 32 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2jmc n ASP 33 N 1.80 2.85 -4.57 6.41 -0.08 -1.26 -5.02 116.55 116.67 2jmc n ASP 33 Ca 0.00 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.91 2jmc n ASP 33 Cb 0.00 0.51 -0.11 0.00 2.34 0.00 0.00 41.12 43.86 2jmc n ASP 33 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2jmc s ARG 34 N -1.22 3.91 -0.03 -0.67 0.52 -0.67 -5.00 118.95 115.79 2jmc s ARG 34 Ca 0.00 -0.34 0.04 0.00 -0.52 0.00 0.00 55.73 54.91 2jmc s ARG 34 Cb 0.00 -3.57 -0.01 0.00 0.52 0.00 0.00 34.95 31.89 2jmc s ARG 34 CO 0.00 -0.14 -0.15 -0.65 0.02 0.00 0.00 175.30 174.38 2jmc s GLN 35 N 1.61 1.39 0.03 3.54 -0.21 -1.26 0.17 119.66 124.93 2jmc s GLN 35 Ca 0.07 -0.52 -0.02 0.00 0.02 0.00 0.00 55.36 54.91 2jmc s GLN 35 Cb -0.15 -1.27 0.01 0.00 1.00 0.00 0.00 33.01 32.59 2jmc s GLN 35 CO 0.09 0.26 0.09 0.41 -2.12 0.00 0.00 175.29 174.01 2jmc n GLY 36 N 2.97 1.59 3.78 3.09 0.00 -1.06 -4.37 105.19 111.19 2jmc n GLY 36 Ca -0.16 -0.99 -0.39 0.00 0.00 0.00 0.00 46.02 44.48 2jmc n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jmc s PHE 37 N -7.08 3.70 0.04 1.61 0.40 -1.26 -1.66 117.98 113.73 2jmc s PHE 37 Ca 0.02 1.17 -0.01 0.00 -0.60 0.00 0.00 56.93 57.51 2jmc s PHE 37 Cb -0.00 -2.55 -0.03 0.00 0.51 0.00 0.00 43.02 40.95 2jmc s PHE 37 CO 0.01 0.42 -0.01 0.14 0.70 0.00 0.00 175.22 176.48 2jmc s VAL 38 N -0.43 0.16 -0.20 -0.44 -7.23 -1.18 -4.89 120.40 106.19 2jmc s VAL 38 Ca 0.29 -1.34 -0.29 0.00 -1.81 0.00 0.00 61.98 58.83 2jmc s VAL 38 Cb -0.18 -0.92 -0.03 0.00 0.56 0.00 0.00 36.38 35.81 2jmc s VAL 38 CO 0.17 -0.74 1.59 -2.16 -0.31 0.00 0.00 175.10 173.65 2jmc s PRO 39 N -2.75 3.88 0.63 4.82 0.04 -1.26 0.16 135.00 140.52 2jmc s PRO 39 Ca -0.04 1.72 0.28 0.00 0.04 0.00 0.00 61.00 63.01 2jmc s PRO 39 Cb -0.01 -4.01 1.49 0.00 0.04 0.00 0.00 34.50 32.02 2jmc s PRO 39 CO -0.06 -1.19 1.87 0.00 0.04 0.00 0.00 177.00 177.66 2jmc h ALA 40 N 10.38 1.76 0.00 8.56 0.00 -1.53 0.28 119.26 138.71 2jmc h ALA 40 Ca -0.34 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2jmc h ALA 40 Cb 1.15 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2jmc h ALA 40 CO 0.99 -0.54 -0.11 0.00 0.00 0.00 0.00 179.25 179.59 2jmc h ALA 41 N 1.33 1.59 -0.00 0.00 0.00 -1.90 -0.74 119.26 119.54 2jmc h ALA 41 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jmc h ALA 41 Cb 0.97 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2jmc h ALA 41 CO -0.00 0.14 -0.30 0.66 0.00 0.00 0.00 179.25 179.75 2jmc n TYR 42 N -4.08 0.00 -4.49 0.00 4.02 0.99 -4.75 117.16 108.84 2jmc n TYR 42 Ca -0.02 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.61 2jmc n TYR 42 Cb 0.20 -0.20 -0.08 0.00 -0.02 0.00 0.00 39.34 39.23 2jmc n TYR 42 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2jmc s VAL 43 N -2.70 0.48 -0.27 -0.72 -7.23 -0.29 0.22 120.40 109.90 2jmc s VAL 43 Ca 0.20 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 58.11 2jmc s VAL 43 Cb 0.19 -2.34 0.12 0.00 0.56 0.00 0.00 36.38 34.91 2jmc s VAL 43 CO 0.58 0.00 1.02 -0.75 -0.31 0.00 0.00 175.10 175.63 2jmc s LYS 44 N -3.66 0.52 0.40 4.82 2.36 -0.48 -4.74 119.74 118.97 2jmc s LYS 44 Ca 0.25 0.56 -0.27 0.00 -2.55 0.00 0.00 55.97 53.96 2jmc s LYS 44 Cb 0.02 0.25 -0.09 0.00 -1.05 0.00 0.00 37.83 36.96 2jmc s LYS 44 CO 0.16 -0.08 1.34 0.15 1.55 0.00 0.00 175.35 178.48 2jmc s LYS 45 N 0.09 4.01 0.39 4.03 1.02 -1.26 -1.27 119.74 126.74 2jmc s LYS 45 Ca 0.03 2.24 0.03 0.00 0.02 0.00 0.00 55.97 58.29 2jmc s LYS 45 Cb -0.05 -2.82 0.03 0.00 -0.52 0.00 0.00 37.83 34.48 2jmc s LYS 45 CO -0.05 -0.49 0.27 1.28 -0.92 0.00 0.00 175.35 175.44 2jmc n LEU 46 N 0.23 0.00 -4.20 3.17 4.77 -1.22 -4.86 117.00 114.89 2jmc n LEU 46 Ca 0.03 -2.07 -0.36 0.00 -0.03 0.00 0.00 56.01 53.57 2jmc n LEU 46 Cb 0.43 -0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.38 2jmc n LEU 46 CO 0.58 -0.48 -0.30 -0.62 -1.33 0.00 0.00 177.39 175.24 2jmc s ASP 47 N -3.28 5.09 -0.16 -1.43 2.15 -1.26 -4.92 116.67 112.85 2jmc s ASP 47 Ca 0.20 -1.33 -0.14 0.00 0.43 0.00 0.00 52.55 51.72 2jmc s ASP 47 Cb -0.02 -1.78 -0.05 0.00 -0.30 0.00 0.00 42.92 40.78 2jmc s ASP 47 CO 0.13 -0.32 -0.26 -0.24 -0.17 0.00 0.00 175.17 174.30 2jmc n SER 48 N 4.69 1.84 0.00 -0.34 2.88 -1.26 -5.07 113.62 116.35 2jmc n SER 48 Ca -0.12 0.47 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 2jmc n SER 48 Cb 0.43 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 63.10 2jmc n SER 48 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jmc n GLY 49 N 1.53 2.36 0.31 0.46 0.00 -1.26 -4.89 105.19 103.70 2jmc n GLY 49 Ca -0.11 -0.67 0.06 0.00 0.00 0.00 0.00 46.02 45.30 2jmc n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jmc h THR 50 N 0.00 0.79 0.00 2.61 1.03 -2.04 -3.45 112.91 111.85 2jmc h THR 50 Ca 0.00 -0.24 0.00 0.00 -0.01 0.00 0.00 66.41 66.16 2jmc h THR 50 Cb 0.00 0.03 0.00 0.00 -1.07 0.00 0.00 68.15 67.11 2jmc h THR 50 CO 0.00 0.13 0.00 0.61 -0.01 0.00 0.00 175.52 176.25 2jmc n GLY 51 N -1.32 0.76 3.80 2.99 0.00 -1.26 -5.15 105.19 105.01 2jmc n GLY 51 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 2jmc n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jmc s LYS 52 N 0.00 2.04 -0.60 1.61 -0.14 -1.26 -5.03 119.74 116.36 2jmc s LYS 52 Ca 0.00 0.62 0.02 0.00 -1.36 0.00 0.00 55.97 55.25 2jmc s LYS 52 Cb 0.00 -1.92 0.15 0.00 -1.68 0.00 0.00 37.83 34.39 2jmc s LYS 52 CO 0.00 -1.65 0.38 -1.21 -0.76 0.00 0.00 175.35 172.12 2jmc s GLU 53 N -5.17 2.31 0.25 1.68 2.02 -1.26 -4.87 118.70 113.66 2jmc s GLU 53 Ca 0.61 -2.76 0.10 0.00 0.02 0.00 0.00 54.97 52.94 2jmc s GLU 53 Cb -0.14 -3.50 -0.05 0.00 0.10 0.00 0.00 34.13 30.54 2jmc s GLU 53 CO 0.54 -1.16 -0.17 -0.48 0.02 0.00 0.00 175.26 174.01 2jmc s LEU 54 N -0.48 2.58 -0.17 1.80 0.05 -1.26 0.38 118.68 121.57 2jmc s LEU 54 Ca 0.19 -1.04 -0.05 0.00 0.05 0.00 0.00 54.13 53.28 2jmc s LEU 54 Cb -0.20 -0.89 0.09 0.00 -2.05 0.00 0.00 46.19 43.14 2jmc s LEU 54 CO -0.04 -0.08 0.33 0.68 -0.55 0.00 0.00 176.35 176.69 2jmc s VAL 55 N -2.74 -0.51 0.56 1.48 -7.23 -1.04 -3.37 120.40 107.55 2jmc s VAL 55 Ca 0.27 0.16 -0.19 0.00 -1.81 0.00 0.00 61.98 60.41 2jmc s VAL 55 Cb -0.03 -0.59 -0.05 0.00 0.56 0.00 0.00 36.38 36.27 2jmc s VAL 55 CO 0.11 0.04 1.11 -0.22 -0.31 0.00 0.00 175.10 175.83 2jmc s LEU 56 N 2.49 3.68 -0.58 1.32 0.20 -0.40 -2.35 118.68 123.05 2jmc s LEU 56 Ca 0.02 2.10 -0.20 0.00 0.69 0.00 0.00 54.13 56.74 2jmc s LEU 56 Cb -0.13 -4.57 0.09 0.00 -0.43 0.00 0.00 46.19 41.15 2jmc s LEU 56 CO -0.11 -1.24 0.73 0.00 -0.29 0.00 0.00 176.35 175.44 2jmc s ALA 57 N -1.93 3.36 0.15 5.97 0.00 0.24 -1.38 121.76 128.16 2jmc s ALA 57 Ca 0.71 -2.02 -0.13 0.00 0.00 0.00 0.00 51.96 50.51 2jmc s ALA 57 Cb -0.22 -3.54 0.02 0.00 0.00 0.00 0.00 23.12 19.38 2jmc s ALA 57 CO 0.29 -2.33 1.63 -0.07 0.00 0.00 0.00 175.76 175.28 2jmc h LEU 58 N 10.14 0.78 -9.17 0.00 3.38 0.23 -2.06 115.31 118.62 2jmc h LEU 58 Ca -0.29 -0.26 -0.49 0.00 0.09 0.00 0.00 57.88 56.93 2jmc h LEU 58 Cb 1.09 -0.21 -0.14 0.00 0.09 0.00 0.00 40.66 41.49 2jmc h LEU 58 CO 1.08 0.84 -0.66 -0.31 0.09 0.00 0.00 178.44 179.48 2jmc s TYR 59 N -5.19 1.97 0.24 1.13 2.02 0.06 -4.68 117.35 112.90 2jmc s TYR 59 Ca -0.13 -0.74 -0.25 0.00 -0.37 0.00 0.00 57.07 55.59 2jmc s TYR 59 Cb 0.11 -1.16 -0.09 0.00 -0.40 0.00 0.00 41.96 40.42 2jmc s TYR 59 CO 0.80 0.24 0.84 0.16 -1.57 0.00 0.00 175.55 176.03 2jmc s ASP 60 N -3.46 7.33 0.06 2.29 1.47 -1.26 -4.21 116.67 118.89 2jmc s ASP 60 Ca 0.31 1.70 -0.11 0.00 1.18 0.00 0.00 52.55 55.63 2jmc s ASP 60 Cb 0.05 -2.52 0.01 0.00 -0.34 0.00 0.00 42.92 40.11 2jmc s ASP 60 CO 0.13 0.07 0.23 -0.47 0.68 0.00 0.00 175.17 175.81 2jmc s TYR 61 N -1.39 0.03 -0.07 2.11 6.14 0.59 -4.92 117.35 119.85 2jmc s TYR 61 Ca 0.43 -0.29 -0.03 0.00 0.64 0.00 0.00 57.07 57.82 2jmc s TYR 61 Cb -0.21 0.01 0.04 0.00 0.42 0.00 0.00 41.96 42.22 2jmc s TYR 61 CO 0.25 -0.49 0.09 -1.14 0.64 0.00 0.00 175.55 174.90 2jmc s GLN 62 N -2.99 -0.04 -0.08 4.97 2.00 -1.26 -0.51 119.66 121.76 2jmc s GLN 62 Ca -0.02 0.37 0.02 0.00 -2.00 0.00 0.00 55.36 53.74 2jmc s GLN 62 Cb 0.01 -0.60 -0.02 0.00 0.80 0.00 0.00 33.01 33.19 2jmc s GLN 62 CO -0.06 -0.36 -0.15 -2.00 -0.50 0.00 0.00 175.29 172.22 2jmc s GLU 63 N 2.20 2.81 -0.40 1.67 -6.30 0.14 -4.97 118.70 113.85 2jmc s GLU 63 Ca 0.04 -0.71 -0.05 0.00 -2.50 0.00 0.00 54.97 51.75 2jmc s GLU 63 Cb -0.12 -2.45 0.09 0.00 0.00 0.00 0.00 34.13 31.65 2jmc s GLU 63 CO -0.04 0.47 0.21 0.45 0.02 0.00 0.00 175.26 176.36 2jmc s SER 64 N -0.32 5.38 -0.03 -1.70 0.15 -1.26 -1.98 113.70 113.94 2jmc s SER 64 Ca 0.03 -1.74 -0.02 0.00 0.70 0.00 0.00 55.95 54.92 2jmc s SER 64 Cb -0.13 -1.88 0.01 0.00 -1.71 0.00 0.00 66.02 62.31 2jmc s SER 64 CO 0.02 -0.52 0.04 0.61 1.20 0.00 0.00 173.24 174.60 2jmc n GLY 65 N 4.74 -3.39 2.76 9.45 0.00 0.39 -4.75 105.19 114.39 2jmc n GLY 65 Ca -0.07 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 2jmc n GLY 65 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jmc n ASP 66 N 0.32 0.41 -4.38 1.61 -0.08 -0.80 -4.88 116.55 108.74 2jmc n ASP 66 Ca -0.07 0.33 -0.23 0.00 -1.51 0.00 0.00 54.79 53.32 2jmc n ASP 66 Cb 0.10 -0.74 -0.11 0.00 2.34 0.00 0.00 41.12 42.71 2jmc n ASP 66 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 2jmc s ASN 67 N 6.22 3.01 0.26 1.67 3.04 -1.26 -4.94 114.94 122.95 2jmc s ASN 67 Ca 1.05 -0.92 -0.29 0.00 0.04 0.00 0.00 52.86 52.74 2jmc s ASN 67 Cb -1.12 -0.20 -0.09 0.00 -1.54 0.00 0.00 41.25 38.30 2jmc s ASN 67 CO 0.46 -0.01 0.94 0.00 -3.04 0.00 0.00 177.10 175.45 2jmc s ALA 68 N -2.20 3.30 -0.78 1.71 0.00 -1.26 -4.06 121.76 118.47 2jmc s ALA 68 Ca 0.21 0.59 -0.25 0.00 0.00 0.00 0.00 51.96 52.50 2jmc s ALA 68 Cb -0.05 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 2jmc s ALA 68 CO 0.09 0.20 1.91 -1.25 0.00 0.00 0.00 175.76 176.71 2jmc s PRO 69 N -1.44 2.59 0.00 0.00 0.04 -1.26 -4.73 135.00 130.19 2jmc s PRO 69 Ca 0.44 0.08 0.20 0.00 0.04 0.00 0.00 61.00 61.76 2jmc s PRO 69 Cb -0.24 -4.78 0.08 0.00 0.04 0.00 0.00 34.50 29.60 2jmc s PRO 69 CO 0.29 -3.11 1.07 0.45 0.04 0.00 0.00 177.00 175.75 2jmc n SER 70 N 13.45 2.31 -4.25 6.66 2.88 -1.26 -4.98 113.62 128.43 2jmc n SER 70 Ca 0.32 -1.66 -0.19 0.00 -1.33 0.00 0.00 58.87 56.01 2jmc n SER 70 Cb 0.49 0.22 -0.10 0.00 -0.75 0.00 0.00 64.21 64.08 2jmc n SER 70 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 2jmc s TYR 71 N -1.96 1.68 0.60 0.66 -0.85 -1.26 -5.15 117.35 111.08 2jmc s TYR 71 Ca 0.20 -1.19 -0.17 0.00 -0.52 0.00 0.00 57.07 55.40 2jmc s TYR 71 Cb 0.17 -1.01 -0.03 0.00 0.38 0.00 0.00 41.96 41.46 2jmc s TYR 71 CO 0.37 -0.29 1.11 -1.54 -1.52 0.00 0.00 175.55 173.67 2jmc s SER 72 N -3.41 5.45 0.49 -0.18 1.04 -1.26 -5.00 113.70 110.83 2jmc s SER 72 Ca 0.35 2.03 -0.22 0.00 0.48 0.00 0.00 55.95 58.60 2jmc s SER 72 Cb 0.07 -2.56 -0.07 0.00 0.10 0.00 0.00 66.02 63.56 2jmc s SER 72 CO 0.15 -1.40 1.15 -2.16 0.98 0.00 0.00 173.24 171.97 2jmc s PRO 73 N -3.78 3.63 0.61 4.02 0.04 -1.26 -5.02 135.00 133.24 2jmc s PRO 73 Ca 0.68 1.72 -0.17 0.00 0.04 0.00 0.00 61.00 63.28 2jmc s PRO 73 Cb -0.21 -2.28 -0.02 0.00 0.04 0.00 0.00 34.50 32.03 2jmc s PRO 73 CO 0.35 -0.65 1.12 -1.25 0.04 0.00 0.00 177.00 176.61 2jmc s PRO 74 N -2.89 3.02 0.04 0.56 0.04 -1.26 -4.98 135.00 129.54 2jmc s PRO 74 Ca 0.67 1.48 -0.31 0.00 0.04 0.00 0.00 61.00 62.88 2jmc s PRO 74 Cb -0.27 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.23 2jmc s PRO 74 CO 0.32 -1.09 1.42 -1.25 0.04 0.00 0.00 177.00 176.44 2jmc s PRO 75 N -3.78 4.29 1.01 0.56 0.04 -1.26 -4.98 135.00 130.88 2jmc s PRO 75 Ca 0.69 2.03 -0.13 0.00 0.04 0.00 0.00 61.00 63.64 2jmc s PRO 75 Cb -0.22 -3.48 0.20 0.00 0.04 0.00 0.00 34.50 31.04 2jmc s PRO 75 CO 0.36 -0.55 1.09 -1.25 0.04 0.00 0.00 177.00 176.70 2jmc s PRO 76 N 2.02 0.31 0.00 0.56 0.04 -1.26 -5.15 135.00 131.51 2jmc s PRO 76 Ca 0.65 0.48 0.16 0.00 0.04 0.00 0.00 61.00 62.33 2jmc s PRO 76 Cb -0.34 -1.73 0.93 0.00 0.04 0.00 0.00 34.50 33.41 2jmc s PRO 76 CO 0.28 -2.81 1.34 -0.35 0.04 0.00 0.00 177.00 175.51