#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 -0.16 0.00 4.61 0.00 -1.26 -5.02 121.76 119.93 2jmc s ALA 2 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.94 2jmc s ALA 2 Cb 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.21 2jmc s ALA 2 CO 0.00 -2.04 0.00 -0.12 0.00 0.00 0.00 175.76 173.60 2jmc n MET 3 N 4.43 0.00 -1.64 0.00 0.00 -1.26 -4.91 117.12 113.73 2jmc n MET 3 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.78 2jmc n MET 3 Cb 0.44 -0.11 0.00 0.00 0.00 0.00 0.00 33.22 33.54 2jmc n MET 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2jmc n GLY 4 N 3.05 -4.21 0.19 -5.12 0.00 -1.26 -3.95 105.19 93.89 2jmc n GLY 4 Ca 0.00 -0.73 0.05 0.00 0.00 0.00 0.00 46.02 45.34 2jmc n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jmc h PRO 5 N 0.81 0.00 -4.32 1.61 0.13 -1.94 -3.40 132.00 124.88 2jmc h PRO 5 Ca 0.00 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.50 2jmc h PRO 5 Cb 0.57 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.31 2jmc h PRO 5 CO 0.00 0.36 -0.75 1.03 -0.23 0.00 0.00 178.00 178.41 2jmc s ARG 6 N -3.86 1.37 -0.41 0.86 0.52 -1.26 -4.94 118.95 111.23 2jmc s ARG 6 Ca -0.01 -1.40 -0.04 0.00 -0.52 0.00 0.00 55.73 53.76 2jmc s ARG 6 Cb 0.12 -2.71 0.10 0.00 0.52 0.00 0.00 34.95 32.99 2jmc s ARG 6 CO 0.69 -0.84 0.21 -1.21 0.02 0.00 0.00 175.30 174.17 2jmc s GLU 7 N 1.23 2.11 -0.15 3.54 8.01 -1.26 0.18 118.70 132.37 2jmc s GLU 7 Ca 0.05 -1.75 -0.22 0.00 0.01 0.00 0.00 54.97 53.05 2jmc s GLU 7 Cb -0.19 -3.60 -0.03 0.00 -4.31 0.00 0.00 34.13 26.01 2jmc s GLU 7 CO -0.12 -1.05 0.67 0.54 0.01 0.00 0.00 175.26 175.32 2jmc s VAL 8 N 1.19 5.02 -0.07 2.63 0.11 -0.93 -4.79 120.40 123.54 2jmc s VAL 8 Ca 0.07 1.32 0.03 0.00 -2.93 0.00 0.00 61.98 60.47 2jmc s VAL 8 Cb -0.23 -4.00 0.01 0.00 -1.53 0.00 0.00 36.38 30.63 2jmc s VAL 8 CO -0.03 0.16 -0.15 0.42 -3.33 0.00 0.00 175.10 172.16 2jmc s THR 9 N 1.51 1.37 -0.11 5.04 -4.23 -1.26 0.31 115.64 118.27 2jmc s THR 9 Ca 0.33 -0.61 -0.15 0.00 -1.18 0.00 0.00 61.69 60.07 2jmc s THR 9 Cb -0.16 -1.22 -0.05 0.00 1.34 0.00 0.00 72.50 72.40 2jmc s THR 9 CO 0.13 0.41 0.38 -0.04 -0.54 0.00 0.00 174.62 174.95 2jmc s MET 10 N 0.59 4.19 -0.21 3.99 -1.94 0.09 -4.91 119.30 121.11 2jmc s MET 10 Ca -0.16 0.28 -0.04 0.00 -1.71 0.00 0.00 55.69 54.06 2jmc s MET 10 Cb -0.16 -3.38 -0.01 0.00 2.01 0.00 0.00 34.83 33.28 2jmc s MET 10 CO 0.05 0.32 -0.03 -1.59 -0.01 0.00 0.00 175.02 173.75 2jmc s LYS 11 N 0.16 3.46 -0.43 2.03 -2.85 -1.26 -1.13 119.74 119.71 2jmc s LYS 11 Ca 0.21 -0.59 -0.41 0.00 -1.00 0.00 0.00 55.97 54.18 2jmc s LYS 11 Cb -0.14 -3.01 -0.16 0.00 -2.06 0.00 0.00 37.83 32.45 2jmc s LYS 11 CO 0.08 -0.11 2.07 1.17 0.10 0.00 0.00 175.35 178.66 2jmc n LYS 12 N 4.56 0.45 -0.32 1.78 4.81 -1.26 -0.82 118.16 127.35 2jmc n LYS 12 Ca -0.18 0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 2jmc n LYS 12 Cb 0.51 -1.86 0.00 0.00 0.02 0.00 0.00 35.03 33.70 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 6.60 1.71 3.28 3.14 0.00 -0.26 -5.02 105.19 114.63 2jmc n GLY 13 Ca 0.46 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.16 2.52 -0.44 1.61 2.15 -0.00 -4.93 116.67 115.42 2jmc s ASP 14 Ca 0.00 -0.67 -0.13 0.00 0.43 0.00 0.00 52.55 52.18 2jmc s ASP 14 Cb 0.00 -0.14 0.07 0.00 -0.30 0.00 0.00 42.92 42.54 2jmc s ASP 14 CO 0.00 0.07 0.32 -0.63 -0.17 0.00 0.00 175.17 174.75 2jmc s ILE 15 N -1.13 4.79 -0.21 4.11 1.01 -1.26 -0.57 121.20 127.94 2jmc s ILE 15 Ca 0.06 -1.14 -0.08 0.00 0.00 0.00 0.00 60.65 59.50 2jmc s ILE 15 Cb -0.10 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 2jmc s ILE 15 CO 0.04 -0.50 0.07 -0.76 0.00 0.00 0.00 174.94 173.79 2jmc s LEU 16 N 1.55 3.71 -0.22 2.97 1.02 -1.05 -4.93 118.68 121.74 2jmc s LEU 16 Ca 0.03 -0.01 -0.43 0.00 0.02 0.00 0.00 54.13 53.75 2jmc s LEU 16 Cb -0.23 -1.96 -0.19 0.00 0.02 0.00 0.00 46.19 43.83 2jmc s LEU 16 CO 0.05 0.10 1.37 0.41 0.02 0.00 0.00 176.35 178.30 2jmc n THR 17 N 4.04 0.03 -1.06 5.49 -1.04 -1.23 -2.65 114.28 117.86 2jmc n THR 17 Ca -0.16 -0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.42 2jmc n THR 17 Cb 0.52 -0.38 -0.07 0.00 -1.82 0.00 0.00 70.33 68.58 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 2.93 3.38 0.00 -4.42 -0.00 0.17 -2.66 117.00 116.40 2jmc n LEU 18 Ca 0.25 -2.61 -0.18 0.00 -0.00 0.00 0.00 56.01 53.46 2jmc n LEU 18 Cb 0.04 -1.02 0.18 0.00 -0.00 0.00 0.00 43.42 42.61 2jmc n LEU 18 CO 0.75 -0.80 0.21 0.18 -0.00 0.00 0.00 177.39 177.72 2jmc n LEU 19 N 8.21 0.00 -4.37 -1.96 4.32 -0.07 -4.63 117.00 118.51 2jmc n LEU 19 Ca 0.49 -0.52 -0.52 0.00 -0.02 0.00 0.00 56.01 55.44 2jmc n LEU 19 Cb 0.41 -0.66 -0.11 0.00 -1.62 0.00 0.00 43.42 41.44 2jmc n LEU 19 CO 1.05 -2.35 1.89 0.59 -1.22 0.00 0.00 177.39 177.35 2jmc n ASN 20 N -3.77 1.00 -1.35 -1.43 4.13 -1.25 -4.41 115.26 108.18 2jmc n ASN 20 Ca 0.08 0.43 0.07 0.00 1.68 0.00 0.00 54.58 56.85 2jmc n ASN 20 Cb 0.36 -1.02 0.29 0.00 -1.54 0.00 0.00 39.78 37.87 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 9.19 3.96 -0.28 6.41 3.41 -1.26 -1.87 113.62 133.18 2jmc n SER 21 Ca 0.54 -2.38 -0.04 0.00 -0.26 0.00 0.00 58.87 56.73 2jmc n SER 21 Cb 0.06 -0.52 -0.02 0.00 -0.26 0.00 0.00 64.21 63.47 2jmc n SER 21 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2jmc n THR 22 N 0.85 -0.41 -1.51 6.66 5.66 -1.26 -4.36 114.28 119.89 2jmc n THR 22 Ca 0.21 1.64 -0.35 0.00 -3.05 0.00 0.00 64.05 62.50 2jmc n THR 22 Cb 0.75 -2.10 0.09 0.00 -1.55 0.00 0.00 70.33 67.52 2jmc n THR 22 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 2jmc s ASN 23 N -5.29 4.28 -0.20 1.09 -0.87 -1.24 -4.99 114.94 107.71 2jmc s ASN 23 Ca -0.09 2.46 -0.16 0.00 -1.57 0.00 0.00 52.86 53.50 2jmc s ASN 23 Cb 0.11 -2.60 -0.11 0.00 -0.02 0.00 0.00 41.25 38.63 2jmc s ASN 23 CO 0.46 -2.21 -0.10 0.29 -2.57 0.00 0.00 177.10 172.97 2jmc n LYS 24 N -2.48 0.53 0.00 -0.60 5.02 -1.26 -4.25 118.16 115.12 2jmc n LYS 24 Ca 0.14 0.45 0.14 0.00 -2.02 0.00 0.00 58.31 57.01 2jmc n LYS 24 Cb 0.49 -1.63 0.80 0.00 -0.02 0.00 0.00 35.03 34.67 2jmc n LYS 24 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2jmc n ASP 25 N -4.45 0.00 -3.67 4.39 8.00 -1.26 -4.63 116.55 114.94 2jmc n ASP 25 Ca -0.28 -0.75 -0.12 0.00 0.71 0.00 0.00 54.79 54.36 2jmc n ASP 25 Cb 0.59 -0.04 -0.12 0.00 -0.02 0.00 0.00 41.12 41.53 2jmc n ASP 25 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2jmc s TRP 26 N -2.08 -0.53 -0.27 1.24 0.52 -1.26 -3.67 118.94 112.89 2jmc s TRP 26 Ca 0.39 1.13 -0.04 0.00 0.02 0.00 0.00 56.10 57.60 2jmc s TRP 26 Cb 0.19 0.08 0.02 0.00 -1.15 0.00 0.00 33.47 32.60 2jmc s TRP 26 CO 0.33 -0.38 -0.00 -1.58 0.02 0.00 0.00 176.95 175.34 2jmc s TRP 27 N 2.35 3.10 0.26 -1.98 0.52 0.34 -3.72 118.94 119.81 2jmc s TRP 27 Ca -0.01 -1.29 -0.30 0.00 0.02 0.00 0.00 56.10 54.52 2jmc s TRP 27 Cb -0.12 -2.14 -0.11 0.00 -1.15 0.00 0.00 33.47 29.95 2jmc s TRP 27 CO -0.10 -0.66 1.59 0.21 0.02 0.00 0.00 176.95 178.02 2jmc s LYS 28 N 1.40 4.15 -0.07 4.98 2.20 -0.78 -3.17 119.74 128.46 2jmc s LYS 28 Ca 0.01 2.52 -0.06 0.00 -0.36 0.00 0.00 55.97 58.08 2jmc s LYS 28 Cb -0.17 -3.06 0.02 0.00 -1.51 0.00 0.00 37.83 33.11 2jmc s LYS 28 CO -0.01 -0.62 0.19 0.14 -0.36 0.00 0.00 175.35 174.68 2jmc s VAL 29 N 0.33 -0.00 0.28 4.02 -7.23 -0.81 -0.90 120.40 116.09 2jmc s VAL 29 Ca 0.66 0.00 -0.03 0.00 -1.81 0.00 0.00 61.98 60.80 2jmc s VAL 29 Cb -0.47 -0.27 -0.05 0.00 0.56 0.00 0.00 36.38 36.16 2jmc s VAL 29 CO 0.43 0.00 0.51 -0.70 -0.31 0.00 0.00 175.10 175.03 2jmc s GLU 30 N 0.12 3.58 -0.50 4.82 2.12 -1.09 -2.59 118.70 125.16 2jmc s GLU 30 Ca -0.00 -0.12 0.06 0.00 0.36 0.00 0.00 54.97 55.26 2jmc s GLU 30 Cb -0.01 -2.69 0.21 0.00 0.26 0.00 0.00 34.13 31.89 2jmc s GLU 30 CO 0.00 0.25 0.49 0.28 -0.54 0.00 0.00 175.26 175.74 2jmc n VAL 31 N -0.98 0.11 0.00 3.70 0.31 0.45 -3.52 118.33 118.40 2jmc n VAL 31 Ca -0.03 -4.19 0.00 0.00 -0.01 0.00 0.00 64.34 60.12 2jmc n VAL 31 Cb 0.54 -1.92 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 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 1.92 0.00 0.00 4.52 3.02 -1.26 -1.79 115.26 121.67 2jmc n ASN 32 Ca 0.25 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 2jmc n ASN 32 Cb 0.46 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 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 2.21 2.93 -4.51 6.41 -0.08 -1.26 -5.02 116.55 117.23 2jmc n ASP 33 Ca 0.00 -0.01 -0.37 0.00 -1.51 0.00 0.00 54.79 52.90 2jmc n ASP 33 Cb 0.00 0.61 -0.12 0.00 2.34 0.00 0.00 41.12 43.95 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 -1.20 3.77 0.07 -0.67 0.52 -0.74 -5.01 118.95 115.69 2jmc s ARG 34 Ca 0.00 -0.42 0.07 0.00 -0.52 0.00 0.00 55.73 54.87 2jmc s ARG 34 Cb 0.00 -3.42 -0.03 0.00 0.52 0.00 0.00 34.95 32.02 2jmc s ARG 34 CO 0.00 -0.15 -0.20 -0.65 0.02 0.00 0.00 175.30 174.33 2jmc s GLN 35 N 1.55 1.20 0.04 3.54 -0.21 -1.26 0.17 119.66 124.70 2jmc s GLN 35 Ca 0.06 -1.02 -0.24 0.00 0.02 0.00 0.00 55.36 54.18 2jmc s GLN 35 Cb -0.15 -1.37 0.08 0.00 1.00 0.00 0.00 33.01 32.57 2jmc s GLN 35 CO 0.06 0.33 1.10 0.41 -2.12 0.00 0.00 175.29 175.07 2jmc n GLY 36 N 1.50 0.38 3.75 3.09 0.00 -1.07 -4.24 105.19 108.60 2jmc n GLY 36 Ca -0.18 -1.06 -0.40 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.21 3.80 0.03 1.61 0.40 -1.26 -1.92 117.98 118.43 2jmc s PHE 37 Ca 0.25 1.59 -0.01 0.00 -0.60 0.00 0.00 56.93 58.16 2jmc s PHE 37 Cb -0.01 -2.86 -0.03 0.00 0.51 0.00 0.00 43.02 40.63 2jmc s PHE 37 CO 0.01 0.32 -0.01 0.14 0.70 0.00 0.00 175.22 176.38 2jmc s VAL 38 N -0.32 0.16 -0.19 -0.44 -7.23 -1.19 -4.90 120.40 106.29 2jmc s VAL 38 Ca 0.40 -1.29 -0.29 0.00 -1.81 0.00 0.00 61.98 58.99 2jmc s VAL 38 Cb -0.22 -0.84 -0.03 0.00 0.56 0.00 0.00 36.38 35.86 2jmc s VAL 38 CO 0.25 -0.71 1.59 -2.16 -0.31 0.00 0.00 175.10 173.77 2jmc s PRO 39 N -2.57 3.88 0.63 4.82 0.04 -1.26 0.13 135.00 140.67 2jmc s PRO 39 Ca -0.06 1.74 0.29 0.00 0.04 0.00 0.00 61.00 63.01 2jmc s PRO 39 Cb -0.02 -4.01 1.53 0.00 0.04 0.00 0.00 34.50 32.04 2jmc s PRO 39 CO -0.05 -1.19 1.89 0.00 0.04 0.00 0.00 177.00 177.70 2jmc h ALA 40 N 10.37 1.72 0.00 8.56 0.00 -1.83 0.27 119.26 138.36 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 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2jmc h ALA 40 CO 0.99 -0.51 -0.10 0.00 0.00 0.00 0.00 179.25 179.63 2jmc h ALA 41 N 1.37 1.52 -0.01 0.00 0.00 -1.89 -0.57 119.26 119.68 2jmc h ALA 41 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jmc h ALA 41 Cb 0.91 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2jmc h ALA 41 CO -0.00 0.13 -0.23 0.66 0.00 0.00 0.00 179.25 179.81 2jmc n TYR 42 N -3.96 0.00 -4.43 0.00 4.02 0.95 -4.75 117.16 108.99 2jmc n TYR 42 Ca -0.02 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.64 2jmc n TYR 42 Cb 0.19 -0.14 -0.07 0.00 -0.02 0.00 0.00 39.34 39.30 2jmc n TYR 42 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 2jmc n VAL 43 N -0.74 0.00 -3.64 -0.72 0.24 -0.22 0.15 118.33 113.40 2jmc n VAL 43 Ca 0.12 -2.21 -0.05 0.00 -2.04 0.00 0.00 64.34 60.17 2jmc n VAL 43 Cb 0.33 0.84 -0.07 0.00 -1.47 0.00 0.00 33.84 33.47 2jmc n VAL 43 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2jmc s LYS 44 N -3.41 0.40 0.34 7.34 2.20 -0.33 -4.72 119.74 121.56 2jmc s LYS 44 Ca 0.22 0.58 -0.29 0.00 -0.36 0.00 0.00 55.97 56.12 2jmc s LYS 44 Cb 0.01 0.14 -0.11 0.00 -1.51 0.00 0.00 37.83 36.36 2jmc s LYS 44 CO 0.15 -0.07 1.49 0.15 -0.36 0.00 0.00 175.35 176.71 2jmc s LYS 45 N 0.79 4.15 0.53 4.03 1.02 -1.26 -1.18 119.74 127.83 2jmc s LYS 45 Ca -0.03 2.51 0.08 0.00 0.02 0.00 0.00 55.97 58.55 2jmc s LYS 45 Cb -0.04 -3.00 0.05 0.00 -0.52 0.00 0.00 37.83 34.31 2jmc s LYS 45 CO -0.11 -0.51 0.57 -0.51 -0.92 0.00 0.00 175.35 173.87 2jmc s LEU 46 N -1.59 3.04 -0.37 3.17 1.43 -1.22 -4.86 118.68 118.28 2jmc s LEU 46 Ca 0.55 -0.95 -0.01 0.00 -1.03 0.00 0.00 54.13 52.69 2jmc s LEU 46 Cb -0.46 -1.61 0.10 0.00 0.03 0.00 0.00 46.19 44.25 2jmc s LEU 46 CO 0.57 -1.11 0.13 -1.81 0.23 0.00 0.00 176.35 174.36 2jmc s ASP 47 N -4.42 5.06 -0.19 2.29 1.01 -1.26 -4.92 116.67 114.23 2jmc s ASP 47 Ca 0.49 -1.94 -0.16 0.00 0.71 0.00 0.00 52.55 51.65 2jmc s ASP 47 Cb -0.04 -1.75 -0.20 0.00 1.01 0.00 0.00 42.92 41.93 2jmc s ASP 47 CO 0.30 -0.45 0.19 -1.54 0.21 0.00 0.00 175.17 173.88 2jmc n SER 48 N 4.50 1.94 -0.41 0.27 3.41 -1.26 -5.03 113.62 117.05 2jmc n SER 48 Ca -0.02 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 2jmc n SER 48 Cb 0.42 -0.91 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 2jmc n SER 48 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jmc n GLY 49 N 1.59 0.93 0.00 5.00 0.00 -1.26 -4.95 105.19 106.51 2jmc n GLY 49 Ca -0.35 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2jmc n GLY 49 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2jmc n THR 50 N -2.32 0.00 0.00 2.61 5.66 -1.26 -5.06 114.28 113.91 2jmc n THR 50 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2jmc n THR 50 Cb 0.44 -0.01 0.00 0.00 -1.55 0.00 0.00 70.33 69.22 2jmc n THR 50 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jmc n GLY 51 N 1.30 1.40 3.92 1.09 0.00 -1.26 -5.16 105.19 106.49 2jmc n GLY 51 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 2.71 -0.50 1.61 -0.14 -1.26 -5.09 119.74 117.07 2jmc s LYS 52 Ca 0.00 -1.36 0.03 0.00 -1.36 0.00 0.00 55.97 53.29 2jmc s LYS 52 Cb 0.00 -2.55 0.13 0.00 -1.68 0.00 0.00 37.83 33.74 2jmc s LYS 52 CO 0.00 -0.14 0.26 -1.21 -0.76 0.00 0.00 175.35 173.50 2jmc s GLU 53 N -4.17 1.79 0.26 1.68 2.02 -1.26 -4.96 118.70 114.06 2jmc s GLU 53 Ca 0.48 -2.46 0.09 0.00 0.02 0.00 0.00 54.97 53.10 2jmc s GLU 53 Cb -0.06 -3.05 -0.05 0.00 0.10 0.00 0.00 34.13 31.07 2jmc s GLU 53 CO 0.29 -1.13 -0.14 -0.48 0.02 0.00 0.00 175.26 173.83 2jmc s LEU 54 N -0.13 2.58 -0.18 1.80 0.05 -1.26 0.44 118.68 121.99 2jmc s LEU 54 Ca 0.17 -1.08 -0.05 0.00 0.05 0.00 0.00 54.13 53.22 2jmc s LEU 54 Cb -0.25 -0.87 0.09 0.00 -2.05 0.00 0.00 46.19 43.11 2jmc s LEU 54 CO -0.00 -0.13 0.33 0.68 -0.55 0.00 0.00 176.35 176.68 2jmc s VAL 55 N -2.76 -0.52 0.53 1.48 -7.23 -1.08 -3.42 120.40 107.40 2jmc s VAL 55 Ca 0.28 0.16 -0.20 0.00 -1.81 0.00 0.00 61.98 60.40 2jmc s VAL 55 Cb -0.01 -0.60 -0.06 0.00 0.56 0.00 0.00 36.38 36.27 2jmc s VAL 55 CO 0.12 0.04 1.17 -0.22 -0.31 0.00 0.00 175.10 175.90 2jmc s LEU 56 N 2.50 3.81 -0.58 1.32 1.98 -0.32 -2.53 118.68 124.86 2jmc s LEU 56 Ca 0.02 2.29 -0.20 0.00 -2.89 0.00 0.00 54.13 53.35 2jmc s LEU 56 Cb -0.13 -4.47 0.09 0.00 0.66 0.00 0.00 46.19 42.34 2jmc s LEU 56 CO -0.11 -1.22 0.73 0.00 -1.89 0.00 0.00 176.35 173.86 2jmc s ALA 57 N -1.65 3.35 0.07 5.97 0.00 0.27 -1.19 121.76 128.59 2jmc s ALA 57 Ca 0.71 -2.03 -0.20 0.00 0.00 0.00 0.00 51.96 50.44 2jmc s ALA 57 Cb -0.27 -3.54 -0.10 0.00 0.00 0.00 0.00 23.12 19.20 2jmc s ALA 57 CO 0.31 -2.34 1.51 -0.07 0.00 0.00 0.00 175.76 175.17 2jmc h LEU 58 N 10.15 0.33 -9.47 0.00 3.38 0.12 -0.69 115.31 119.13 2jmc h LEU 58 Ca -0.29 -0.30 -0.60 0.00 0.09 0.00 0.00 57.88 56.78 2jmc h LEU 58 Cb 1.09 -0.09 -0.13 0.00 0.09 0.00 0.00 40.66 41.61 2jmc h LEU 58 CO 1.08 0.55 -0.65 -0.31 0.09 0.00 0.00 178.44 179.21 2jmc s TYR 59 N -5.01 2.37 0.14 1.13 2.02 0.08 -4.69 117.35 113.40 2jmc s TYR 59 Ca -0.14 -0.61 -0.23 0.00 -0.37 0.00 0.00 57.07 55.72 2jmc s TYR 59 Cb 0.07 -1.49 -0.08 0.00 -0.40 0.00 0.00 41.96 40.06 2jmc s TYR 59 CO 0.73 0.47 0.71 0.16 -1.57 0.00 0.00 175.55 176.05 2jmc s ASP 60 N -3.62 7.28 0.06 2.29 -4.77 -1.26 -4.19 116.67 112.46 2jmc s ASP 60 Ca 0.33 1.52 -0.06 0.00 -3.30 0.00 0.00 52.55 51.05 2jmc s ASP 60 Cb 0.06 -2.45 -0.01 0.00 -1.09 0.00 0.00 42.92 39.42 2jmc s ASP 60 CO 0.16 0.23 0.10 -0.47 0.70 0.00 0.00 175.17 175.89 2jmc s TYR 61 N -1.15 0.25 -0.10 2.11 6.14 -0.29 -4.93 117.35 119.39 2jmc s TYR 61 Ca 0.34 -0.65 -0.03 0.00 0.64 0.00 0.00 57.07 57.37 2jmc s TYR 61 Cb -0.22 -0.17 0.05 0.00 0.42 0.00 0.00 41.96 42.04 2jmc s TYR 61 CO 0.24 -0.43 0.12 -1.14 0.64 0.00 0.00 175.55 174.99 2jmc s GLN 62 N -3.30 0.02 -0.01 4.97 -0.44 -1.26 -0.73 119.66 118.90 2jmc s GLN 62 Ca 0.01 0.36 0.04 0.00 -2.50 0.00 0.00 55.36 53.27 2jmc s GLN 62 Cb 0.03 -0.70 -0.03 0.00 -1.64 0.00 0.00 33.01 30.67 2jmc s GLN 62 CO -0.08 -0.41 -0.11 -2.00 0.50 0.00 0.00 175.29 173.19 2jmc s GLU 63 N 2.23 2.45 -0.34 1.67 -6.30 0.15 -4.98 118.70 113.59 2jmc s GLU 63 Ca 0.04 -0.75 -0.01 0.00 -2.50 0.00 0.00 54.97 51.74 2jmc s GLU 63 Cb -0.13 -2.41 0.07 0.00 0.00 0.00 0.00 34.13 31.67 2jmc s GLU 63 CO -0.06 0.60 0.07 0.45 0.02 0.00 0.00 175.26 176.34 2jmc s SER 64 N -1.16 4.99 0.02 -1.70 0.15 -1.26 -2.20 113.70 112.54 2jmc s SER 64 Ca 0.14 -1.61 0.00 0.00 0.70 0.00 0.00 55.95 55.19 2jmc s SER 64 Cb -0.11 -1.74 0.00 0.00 -1.71 0.00 0.00 66.02 62.46 2jmc s SER 64 CO 0.04 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.73 2jmc n GLY 65 N 4.57 -4.38 2.75 9.45 0.00 0.48 -4.65 105.19 113.41 2jmc n GLY 65 Ca -0.08 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.27 2jmc n GLY 65 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jmc n ASP 66 N 0.94 0.41 -4.33 1.61 5.68 -0.45 -4.88 116.55 115.52 2jmc n ASP 66 Ca 0.00 0.33 -0.26 0.00 -0.50 0.00 0.00 54.79 54.36 2jmc n ASP 66 Cb 0.00 -0.74 -0.13 0.00 -1.14 0.00 0.00 41.12 39.11 2jmc n ASP 66 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 2jmc s ASN 67 N 6.20 2.86 0.29 -1.12 0.02 -1.26 -4.96 114.94 116.97 2jmc s ASN 67 Ca 1.05 -0.70 -0.28 0.00 -1.02 0.00 0.00 52.86 51.91 2jmc s ASN 67 Cb -1.11 -0.18 -0.09 0.00 0.02 0.00 0.00 41.25 39.88 2jmc s ASN 67 CO 0.46 0.12 0.99 0.00 0.02 0.00 0.00 177.10 178.69 2jmc s ALA 68 N -1.09 3.28 -1.17 0.60 0.00 -1.26 -4.04 121.76 118.07 2jmc s ALA 68 Ca 0.10 0.67 -0.23 0.00 0.00 0.00 0.00 51.96 52.49 2jmc s ALA 68 Cb -0.10 -3.24 -0.08 0.00 0.00 0.00 0.00 23.12 19.70 2jmc s ALA 68 CO 0.05 0.06 1.93 -1.25 0.00 0.00 0.00 175.76 176.55 2jmc s PRO 69 N -1.67 2.50 0.00 0.00 0.04 -1.26 -4.66 135.00 129.95 2jmc s PRO 69 Ca 0.47 -1.13 0.27 0.00 0.04 0.00 0.00 61.00 60.65 2jmc s PRO 69 Cb -0.25 -5.24 0.89 0.00 0.04 0.00 0.00 34.50 29.95 2jmc s PRO 69 CO 0.31 -3.95 1.65 0.43 0.04 0.00 0.00 177.00 175.48 2jmc n SER 70 N 14.35 1.22 -4.25 6.66 7.64 -1.26 -4.91 113.62 133.06 2jmc n SER 70 Ca 0.45 -1.15 -0.19 0.00 1.01 0.00 0.00 58.87 58.98 2jmc n SER 70 Cb 0.47 0.07 -0.10 0.00 -1.01 0.00 0.00 64.21 63.64 2jmc n SER 70 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 2jmc s TYR 71 N -2.28 1.68 0.61 1.43 -0.85 -1.26 -5.15 117.35 111.53 2jmc s TYR 71 Ca 0.30 -1.19 -0.16 0.00 -0.52 0.00 0.00 57.07 55.51 2jmc s TYR 71 Cb 0.20 -1.01 -0.03 0.00 0.38 0.00 0.00 41.96 41.50 2jmc s TYR 71 CO 0.44 -0.29 1.09 -1.54 -1.52 0.00 0.00 175.55 173.72 2jmc s SER 72 N -3.40 5.53 0.49 -0.18 1.04 -1.26 -5.01 113.70 110.90 2jmc s SER 72 Ca 0.35 1.94 -0.22 0.00 0.48 0.00 0.00 55.95 58.51 2jmc s SER 72 Cb 0.07 -2.55 -0.07 0.00 0.10 0.00 0.00 66.02 63.57 2jmc s SER 72 CO 0.15 -1.34 1.15 -2.16 0.98 0.00 0.00 173.24 172.02 2jmc s PRO 73 N -3.94 3.63 0.57 4.02 0.04 -1.26 -5.01 135.00 133.05 2jmc s PRO 73 Ca 0.66 1.73 -0.18 0.00 0.04 0.00 0.00 61.00 63.25 2jmc s PRO 73 Cb -0.19 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 32.03 2jmc s PRO 73 CO 0.37 -0.65 1.12 -1.25 0.04 0.00 0.00 177.00 176.63 2jmc s PRO 74 N -2.89 3.23 0.05 0.56 0.04 -1.26 -4.98 135.00 129.75 2jmc s PRO 74 Ca 0.67 1.55 -0.31 0.00 0.04 0.00 0.00 61.00 62.95 2jmc s PRO 74 Cb -0.27 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.21 2jmc s PRO 74 CO 0.32 -0.94 1.41 -1.25 0.04 0.00 0.00 177.00 176.58 2jmc s PRO 75 N -3.49 4.29 1.01 0.56 0.04 -1.26 -4.98 135.00 131.18 2jmc s PRO 75 Ca 0.71 2.03 -0.13 0.00 0.04 0.00 0.00 61.00 63.66 2jmc s PRO 75 Cb -0.23 -3.45 0.20 0.00 0.04 0.00 0.00 34.50 31.06 2jmc s PRO 75 CO 0.30 -0.53 1.09 -1.25 0.04 0.00 0.00 177.00 176.66 2jmc s PRO 76 N 1.92 0.30 0.00 0.56 0.04 -1.26 -5.16 135.00 131.39 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 -1.72 0.94 0.00 0.04 0.00 0.00 34.50 33.41 2jmc s PRO 76 CO 0.28 -2.81 1.35 -0.35 0.04 0.00 0.00 177.00 175.51