#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 2.83 -0.06 4.61 0.00 -1.26 -4.96 121.76 122.92 2jmc s ALA 2 Ca 0.00 0.53 0.02 0.00 0.00 0.00 0.00 51.96 52.51 2jmc s ALA 2 Cb 0.00 -4.03 0.02 0.00 0.00 0.00 0.00 23.12 19.10 2jmc s ALA 2 CO 0.00 -2.66 -0.11 -1.64 0.00 0.00 0.00 175.76 171.35 2jmc s MET 3 N 5.92 1.53 0.79 0.00 1.00 -1.26 -5.08 119.30 122.21 2jmc s MET 3 Ca 0.89 -0.35 -0.12 0.00 0.00 0.00 0.00 55.69 56.12 2jmc s MET 3 Cb -0.28 -1.31 0.07 0.00 0.00 0.00 0.00 34.83 33.31 2jmc s MET 3 CO 0.34 -0.01 1.11 0.20 0.00 0.00 0.00 175.02 176.67 2jmc s GLY 4 N 0.77 1.61 0.40 -0.03 0.00 -1.26 -4.97 107.32 103.84 2jmc s GLY 4 Ca -0.13 -0.34 0.19 0.00 0.00 0.00 0.00 44.72 44.44 2jmc s GLY 4 CO 0.02 0.10 1.82 -0.56 0.00 0.00 0.00 173.10 174.49 2jmc h PRO 5 N -1.04 0.00 -4.27 2.90 0.13 -2.00 -3.39 132.00 124.32 2jmc h PRO 5 Ca -0.47 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.03 2jmc h PRO 5 Cb 1.28 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 32.01 2jmc h PRO 5 CO 0.62 0.33 -0.74 -0.98 -0.23 0.00 0.00 178.00 176.99 2jmc s ARG 6 N -3.85 1.24 -0.22 0.86 1.70 -1.26 -4.91 118.95 112.50 2jmc s ARG 6 Ca -0.01 -1.52 0.01 0.00 -0.47 0.00 0.00 55.73 53.75 2jmc s ARG 6 Cb 0.12 -2.73 0.05 0.00 -0.57 0.00 0.00 34.95 31.82 2jmc s ARG 6 CO 0.68 -0.92 -0.11 -1.83 -1.08 0.00 0.00 175.30 172.03 2jmc s GLU 7 N 1.19 2.15 -0.27 3.89 -1.05 -1.26 -0.28 118.70 123.07 2jmc s GLU 7 Ca 0.09 -1.00 -0.29 0.00 -0.15 0.00 0.00 54.97 53.62 2jmc s GLU 7 Cb -0.18 -2.59 0.01 0.00 -0.44 0.00 0.00 34.13 30.93 2jmc s GLU 7 CO -0.14 -0.46 1.10 0.54 0.95 0.00 0.00 175.26 177.25 2jmc s VAL 8 N 1.30 4.51 -0.13 1.83 0.11 -1.23 -4.67 120.40 122.12 2jmc s VAL 8 Ca -0.03 1.78 0.02 0.00 -2.93 0.00 0.00 61.98 60.81 2jmc s VAL 8 Cb -0.17 -4.31 0.02 0.00 -1.53 0.00 0.00 36.38 30.39 2jmc s VAL 8 CO -0.08 -0.33 -0.17 0.42 -3.33 0.00 0.00 175.10 171.61 2jmc s THR 9 N 3.54 1.69 -0.45 5.04 -4.23 -1.26 -1.32 115.64 118.66 2jmc s THR 9 Ca 0.47 -0.75 -0.13 0.00 -1.18 0.00 0.00 61.69 60.11 2jmc s THR 9 Cb -0.15 -1.54 0.07 0.00 1.34 0.00 0.00 72.50 72.23 2jmc s THR 9 CO 0.13 0.48 0.33 -0.04 -0.54 0.00 0.00 174.62 174.98 2jmc s MET 10 N 1.05 2.81 0.00 3.99 -1.94 -0.86 -4.95 119.30 119.41 2jmc s MET 10 Ca -0.04 -1.39 -0.18 0.00 -1.71 0.00 0.00 55.69 52.37 2jmc s MET 10 Cb -0.15 -3.97 -0.06 0.00 2.01 0.00 0.00 34.83 32.67 2jmc s MET 10 CO -0.04 -0.99 0.52 0.15 -0.01 0.00 0.00 175.02 174.66 2jmc s LYS 11 N 1.55 4.19 -0.36 2.03 1.02 -1.26 -1.11 119.74 125.80 2jmc s LYS 11 Ca 0.04 0.61 -0.39 0.00 0.02 0.00 0.00 55.97 56.25 2jmc s LYS 11 Cb -0.24 -3.30 -0.14 0.00 -0.52 0.00 0.00 37.83 33.63 2jmc s LYS 11 CO 0.05 0.49 2.03 1.17 -0.92 0.00 0.00 175.35 178.17 2jmc n LYS 12 N 2.38 0.86 -0.32 1.68 4.81 -1.25 -0.40 118.16 125.92 2jmc n LYS 12 Ca -0.10 0.27 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 2jmc n LYS 12 Cb 0.51 -2.14 0.00 0.00 0.02 0.00 0.00 35.03 33.43 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 5.99 1.15 3.28 3.14 0.00 -0.34 -5.02 105.19 113.39 2jmc n GLY 13 Ca 0.39 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.23 2.96 0.01 1.61 2.15 0.47 -4.92 116.67 116.71 2jmc s ASP 14 Ca 0.00 -0.47 -0.12 0.00 0.43 0.00 0.00 52.55 52.39 2jmc s ASP 14 Cb 0.00 -0.47 -0.05 0.00 -0.30 0.00 0.00 42.92 42.10 2jmc s ASP 14 CO 0.00 0.29 0.37 -0.63 -0.17 0.00 0.00 175.17 175.03 2jmc s ILE 15 N -0.46 5.11 -0.07 4.11 1.01 -1.26 -1.27 121.20 128.36 2jmc s ILE 15 Ca 0.06 0.64 -0.03 0.00 0.00 0.00 0.00 60.65 61.32 2jmc s ILE 15 Cb -0.11 -3.65 0.04 0.00 0.01 0.00 0.00 42.46 38.75 2jmc s ILE 15 CO 0.00 0.50 0.14 -0.76 0.00 0.00 0.00 174.94 174.83 2jmc s LEU 16 N -1.32 0.62 -0.17 2.97 1.02 -1.10 -4.99 118.68 115.72 2jmc s LEU 16 Ca 0.25 0.30 -0.42 0.00 0.02 0.00 0.00 54.13 54.28 2jmc s LEU 16 Cb -0.15 0.34 -0.19 0.00 0.02 0.00 0.00 46.19 46.20 2jmc s LEU 16 CO 0.14 -0.16 1.32 0.41 0.02 0.00 0.00 176.35 178.07 2jmc n THR 17 N 4.36 0.02 -1.05 5.49 -1.04 -1.19 -2.68 114.28 118.20 2jmc n THR 17 Ca -0.24 -0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.33 2jmc n THR 17 Cb 0.51 -0.35 -0.07 0.00 -1.82 0.00 0.00 70.33 68.61 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 2.70 3.63 0.00 -4.42 -0.00 0.98 -2.58 117.00 117.30 2jmc n LEU 18 Ca 0.24 -2.68 -0.17 0.00 -0.00 0.00 0.00 56.01 53.39 2jmc n LEU 18 Cb 0.05 -1.02 0.17 0.00 -0.00 0.00 0.00 43.42 42.62 2jmc n LEU 18 CO 0.72 -0.61 0.20 0.18 -0.00 0.00 0.00 177.39 177.88 2jmc n LEU 19 N 7.69 0.00 -4.47 -1.96 4.32 -0.16 -4.58 117.00 117.83 2jmc n LEU 19 Ca 0.49 -0.50 -0.43 0.00 -0.02 0.00 0.00 56.01 55.55 2jmc n LEU 19 Cb 0.40 -0.64 -0.13 0.00 -1.62 0.00 0.00 43.42 41.44 2jmc n LEU 19 CO 1.06 -2.32 2.12 -3.20 -1.22 0.00 0.00 177.39 173.84 2jmc n ASN 20 N -3.60 0.72 -1.80 -1.43 5.15 -1.25 -4.40 115.26 108.64 2jmc n ASN 20 Ca 0.08 0.16 -0.05 0.00 -0.60 0.00 0.00 54.58 54.17 2jmc n ASN 20 Cb 0.34 -1.03 0.25 0.00 -0.53 0.00 0.00 39.78 38.82 2jmc n ASN 20 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2jmc n SER 21 N 10.83 4.35 -0.13 1.20 3.41 -1.26 -1.87 113.62 130.15 2jmc n SER 21 Ca 0.59 -3.00 -0.04 0.00 -0.26 0.00 0.00 58.87 56.17 2jmc n SER 21 Cb 0.10 -0.71 0.04 0.00 -0.26 0.00 0.00 64.21 63.38 2jmc n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jmc h THR 22 N 2.23 0.66 -2.01 6.66 1.03 -1.85 -3.39 112.91 116.24 2jmc h THR 22 Ca 0.22 -0.03 -0.59 0.00 -0.01 0.00 0.00 66.41 66.00 2jmc h THR 22 Cb 2.07 0.55 -0.00 0.00 -1.07 0.00 0.00 68.15 69.70 2jmc h THR 22 CO 0.62 0.02 1.49 0.20 -0.01 0.00 0.00 175.52 177.84 2jmc s ASN 23 N -5.25 5.46 0.49 0.00 -0.87 -1.20 -4.82 114.94 108.74 2jmc s ASN 23 Ca -0.13 1.87 0.20 0.00 -1.57 0.00 0.00 52.86 53.23 2jmc s ASN 23 Cb 0.15 -2.51 1.26 0.00 -0.02 0.00 0.00 41.25 40.12 2jmc s ASN 23 CO 0.71 -1.96 2.07 0.07 -2.57 0.00 0.00 177.10 175.43 2jmc h LYS 24 N 15.03 0.00 -0.02 -0.60 2.10 -2.00 -0.99 116.57 130.09 2jmc h LYS 24 Ca -0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 2jmc h LYS 24 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 2jmc h LYS 24 CO 0.96 0.12 -0.17 -0.25 -2.00 0.00 0.00 179.45 178.11 2jmc n ASP 25 N -4.14 2.19 -3.66 7.07 8.00 -1.26 -4.84 116.55 119.92 2jmc n ASP 25 Ca -0.02 -1.63 -0.06 0.00 0.71 0.00 0.00 54.79 53.79 2jmc n ASP 25 Cb 0.20 0.15 -0.07 0.00 -0.02 0.00 0.00 41.12 41.38 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 -2.20 -1.03 -0.38 1.24 0.52 -0.38 -4.22 118.94 112.50 2jmc s TRP 26 Ca 0.27 1.92 -0.09 0.00 0.02 0.00 0.00 56.10 58.22 2jmc s TRP 26 Cb 0.20 0.55 0.05 0.00 -1.15 0.00 0.00 33.47 33.12 2jmc s TRP 26 CO 0.41 -0.54 0.19 -1.58 0.02 0.00 0.00 176.95 175.45 2jmc s TRP 27 N 2.37 3.29 0.30 -1.98 0.52 0.35 -3.26 118.94 120.53 2jmc s TRP 27 Ca -0.06 -1.35 -0.30 0.00 0.02 0.00 0.00 56.10 54.41 2jmc s TRP 27 Cb -0.10 -2.57 -0.12 0.00 -1.15 0.00 0.00 33.47 29.53 2jmc s TRP 27 CO -0.16 -0.75 1.54 1.17 0.02 0.00 0.00 176.95 178.77 2jmc n LYS 28 N 4.89 2.59 -3.80 4.98 4.81 -0.78 -3.41 118.16 127.45 2jmc n LYS 28 Ca -0.11 0.92 -0.13 0.00 -0.87 0.00 0.00 58.31 58.12 2jmc n LYS 28 Cb 0.44 -2.67 -0.12 0.00 0.02 0.00 0.00 35.03 32.70 2jmc n LYS 28 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2jmc s VAL 29 N -0.21 -0.01 0.14 3.15 -7.23 -0.90 -0.99 120.40 114.36 2jmc s VAL 29 Ca 0.63 0.02 -0.06 0.00 -1.81 0.00 0.00 61.98 60.76 2jmc s VAL 29 Cb -0.52 -0.28 -0.06 0.00 0.56 0.00 0.00 36.38 36.09 2jmc s VAL 29 CO 0.51 0.01 0.39 -0.70 -0.31 0.00 0.00 175.10 175.00 2jmc s GLU 30 N 0.23 3.65 -0.51 4.82 -6.30 -1.07 -3.28 118.70 116.24 2jmc s GLU 30 Ca -0.01 -0.03 0.08 0.00 -2.50 0.00 0.00 54.97 52.50 2jmc s GLU 30 Cb -0.02 -2.85 0.33 0.00 0.00 0.00 0.00 34.13 31.59 2jmc s GLU 30 CO -0.01 0.47 0.84 0.28 0.02 0.00 0.00 175.26 176.86 2jmc n VAL 31 N 0.17 1.80 0.00 3.70 0.31 0.43 -3.16 118.33 121.57 2jmc n VAL 31 Ca -0.03 -5.17 0.00 0.00 -0.01 0.00 0.00 64.34 59.14 2jmc n VAL 31 Cb 0.52 -1.10 0.00 0.00 -0.91 0.00 0.00 33.84 32.35 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 0.08 0.00 0.00 4.52 3.02 -1.26 -2.65 115.26 118.96 2jmc n ASN 32 Ca 0.29 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.84 2jmc n ASN 32 Cb 0.49 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 2jmc n ASN 32 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2jmc n ASP 33 N 2.93 3.09 -4.63 6.41 8.00 -1.26 -5.03 116.55 126.06 2jmc n ASP 33 Ca 0.00 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.14 2jmc n ASP 33 Cb 0.00 0.45 -0.10 0.00 -0.02 0.00 0.00 41.12 41.45 2jmc n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jmc s ARG 34 N -1.45 4.01 0.42 -1.24 1.70 -1.09 -4.89 118.95 116.41 2jmc s ARG 34 Ca 0.00 -0.31 0.05 0.00 -0.47 0.00 0.00 55.73 55.00 2jmc s ARG 34 Cb 0.00 -3.45 -0.02 0.00 -0.57 0.00 0.00 34.95 30.91 2jmc s ARG 34 CO 0.00 0.07 0.17 1.04 -1.08 0.00 0.00 175.30 175.50 2jmc n GLN 35 N 4.21 0.55 -1.99 3.89 6.02 -1.26 0.16 117.38 128.97 2jmc n GLN 35 Ca -0.15 -3.58 0.00 0.00 -0.01 0.00 0.00 57.00 53.26 2jmc n GLN 35 Cb 0.52 2.04 0.00 0.00 1.02 0.00 0.00 30.24 33.82 2jmc n GLN 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jmc n GLY 36 N -0.91 -0.20 3.77 1.08 0.00 -1.21 -3.54 105.19 104.19 2jmc n GLY 36 Ca -0.05 -1.57 -0.36 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.48 3.50 0.08 1.61 0.40 -1.26 -2.11 117.98 117.72 2jmc s PHE 37 Ca 0.00 0.56 0.02 0.00 -0.60 0.00 0.00 56.93 56.91 2jmc s PHE 37 Cb 0.00 -2.21 -0.04 0.00 0.51 0.00 0.00 43.02 41.28 2jmc s PHE 37 CO 0.00 0.39 -0.08 0.14 0.70 0.00 0.00 175.22 176.38 2jmc s VAL 38 N -0.02 0.70 -0.20 -0.44 -7.23 -1.22 -4.90 120.40 107.10 2jmc s VAL 38 Ca 0.15 -1.60 -0.29 0.00 -1.81 0.00 0.00 61.98 58.42 2jmc s VAL 38 Cb -0.13 -1.28 -0.03 0.00 0.56 0.00 0.00 36.38 35.51 2jmc s VAL 38 CO 0.03 -0.65 1.60 -2.16 -0.31 0.00 0.00 175.10 173.61 2jmc s PRO 39 N -2.90 3.87 0.63 4.82 0.04 -1.26 0.13 135.00 140.32 2jmc s PRO 39 Ca 0.04 1.73 0.30 0.00 0.04 0.00 0.00 61.00 63.10 2jmc s PRO 39 Cb -0.01 -4.01 1.64 0.00 0.04 0.00 0.00 34.50 32.15 2jmc s PRO 39 CO -0.02 -1.21 1.92 0.00 0.04 0.00 0.00 177.00 177.73 2jmc h ALA 40 N 10.44 1.27 0.00 8.56 0.00 -1.86 0.22 119.26 137.89 2jmc h ALA 40 Ca -0.34 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2jmc h ALA 40 Cb 1.15 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2jmc h ALA 40 CO 0.99 -0.27 -0.09 0.00 0.00 0.00 0.00 179.25 179.88 2jmc h ALA 41 N 1.42 1.14 -0.00 0.00 0.00 -1.89 -1.69 119.26 118.24 2jmc h ALA 41 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2jmc h ALA 41 Cb 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2jmc h ALA 41 CO 0.00 0.11 -0.64 0.66 0.00 0.00 0.00 179.25 179.38 2jmc n TYR 42 N -3.40 0.00 -4.32 0.00 4.02 0.79 -4.75 117.16 109.50 2jmc n TYR 42 Ca -0.01 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.72 2jmc n TYR 42 Cb 0.25 -0.13 -0.04 0.00 -0.02 0.00 0.00 39.34 39.39 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 -1.30 0.00 -3.61 -0.72 0.24 -0.64 0.13 118.33 112.43 2jmc n VAL 43 Ca 0.06 -1.40 -0.05 0.00 -2.04 0.00 0.00 64.34 60.91 2jmc n VAL 43 Cb 0.34 0.46 -0.04 0.00 -1.47 0.00 0.00 33.84 33.14 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 -2.94 0.27 0.46 7.34 2.20 -0.43 -4.73 119.74 121.91 2jmc s LYS 44 Ca 0.10 0.00 -0.23 0.00 -0.36 0.00 0.00 55.97 55.49 2jmc s LYS 44 Cb 0.00 0.13 -0.07 0.00 -1.51 0.00 0.00 37.83 36.38 2jmc s LYS 44 CO 0.07 -0.10 1.16 0.15 -0.36 0.00 0.00 175.35 176.27 2jmc s LYS 45 N -1.52 3.75 0.46 4.03 1.02 -1.26 -0.27 119.74 125.95 2jmc s LYS 45 Ca 0.07 1.75 0.07 0.00 0.02 0.00 0.00 55.97 57.87 2jmc s LYS 45 Cb -0.01 -2.38 -0.01 0.00 -0.52 0.00 0.00 37.83 34.92 2jmc s LYS 45 CO -0.05 -0.56 0.35 -0.51 -0.92 0.00 0.00 175.35 173.67 2jmc s LEU 46 N -3.07 3.08 -0.64 3.17 1.43 -1.18 -4.77 118.68 116.70 2jmc s LEU 46 Ca 0.64 -1.00 -0.22 0.00 -1.03 0.00 0.00 54.13 52.52 2jmc s LEU 46 Cb -0.28 -1.60 0.07 0.00 0.03 0.00 0.00 46.19 44.41 2jmc s LEU 46 CO 0.34 -0.80 0.94 -1.81 0.23 0.00 0.00 176.35 175.25 2jmc s ASP 47 N -4.14 6.19 -0.60 2.29 1.01 -1.26 -4.93 116.67 115.23 2jmc s ASP 47 Ca 0.42 -0.94 -0.00 0.00 0.71 0.00 0.00 52.55 52.74 2jmc s ASP 47 Cb -0.01 -2.41 0.15 0.00 1.01 0.00 0.00 42.92 41.66 2jmc s ASP 47 CO 0.24 -1.39 0.38 -0.94 0.21 0.00 0.00 175.17 173.68 2jmc s SER 48 N 3.55 4.89 0.00 0.27 1.04 -1.26 -4.97 113.70 117.23 2jmc s SER 48 Ca 0.22 -2.97 -0.03 0.00 0.48 0.00 0.00 55.95 53.65 2jmc s SER 48 Cb -0.17 -1.77 -0.16 0.00 0.10 0.00 0.00 66.02 64.02 2jmc s SER 48 CO 0.11 -0.30 2.56 0.61 0.98 0.00 0.00 173.24 177.19 2jmc n GLY 49 N 3.27 2.40 0.00 7.32 0.00 -1.26 -3.00 105.19 113.92 2jmc n GLY 49 Ca 0.07 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2jmc n GLY 49 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jmc n THR 50 N 2.39 0.00 0.00 2.61 -2.24 -1.26 -5.06 114.28 110.72 2jmc n THR 50 Ca 0.25 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 2jmc n THR 50 Cb 0.62 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 2jmc n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jmc n GLY 51 N 0.93 2.00 3.88 3.38 0.00 -1.16 -5.14 105.19 109.07 2jmc n GLY 51 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.05 3.17 -0.64 1.61 -0.14 -1.26 -5.08 119.74 117.35 2jmc s LYS 52 Ca 0.00 -0.81 -0.06 0.00 -1.36 0.00 0.00 55.97 53.74 2jmc s LYS 52 Cb 0.00 -2.77 0.17 0.00 -1.68 0.00 0.00 37.83 33.55 2jmc s LYS 52 CO 0.00 0.46 0.48 -1.21 -0.76 0.00 0.00 175.35 174.33 2jmc s GLU 53 N -3.48 2.72 0.18 1.68 0.41 -1.26 -4.83 118.70 114.12 2jmc s GLU 53 Ca 0.33 -2.41 0.10 0.00 -0.41 0.00 0.00 54.97 52.58 2jmc s GLU 53 Cb -0.10 -3.87 -0.04 0.00 -1.78 0.00 0.00 34.13 28.34 2jmc s GLU 53 CO 0.26 -1.19 -0.20 -0.48 -0.49 0.00 0.00 175.26 173.16 2jmc s LEU 54 N 0.18 2.45 -0.09 1.80 0.05 -1.26 -0.01 118.68 121.80 2jmc s LEU 54 Ca 0.16 -0.88 -0.03 0.00 0.05 0.00 0.00 54.13 53.43 2jmc s LEU 54 Cb -0.19 -0.95 0.05 0.00 -2.05 0.00 0.00 46.19 43.04 2jmc s LEU 54 CO -0.04 0.02 0.12 0.68 -0.55 0.00 0.00 176.35 176.57 2jmc s VAL 55 N -1.98 -0.18 0.51 1.48 -7.23 -1.09 -3.13 120.40 108.78 2jmc s VAL 55 Ca 0.18 0.27 -0.19 0.00 -1.81 0.00 0.00 61.98 60.43 2jmc s VAL 55 Cb -0.06 -0.31 -0.07 0.00 0.56 0.00 0.00 36.38 36.49 2jmc s VAL 55 CO 0.08 0.07 1.06 -0.22 -0.31 0.00 0.00 175.10 175.78 2jmc s LEU 56 N 2.23 3.77 -0.41 1.32 1.98 0.63 -2.71 118.68 125.48 2jmc s LEU 56 Ca 0.04 1.95 -0.19 0.00 -2.89 0.00 0.00 54.13 53.04 2jmc s LEU 56 Cb -0.13 -4.56 0.02 0.00 0.66 0.00 0.00 46.19 42.18 2jmc s LEU 56 CO -0.06 -0.92 0.56 0.00 -1.89 0.00 0.00 176.35 174.04 2jmc s ALA 57 N -2.03 3.40 0.02 5.97 0.00 -0.40 -1.31 121.76 127.40 2jmc s ALA 57 Ca 0.67 -1.23 -0.18 0.00 0.00 0.00 0.00 51.96 51.22 2jmc s ALA 57 Cb -0.17 -3.18 -0.29 0.00 0.00 0.00 0.00 23.12 19.48 2jmc s ALA 57 CO 0.24 -1.60 1.04 -0.07 0.00 0.00 0.00 175.76 175.37 2jmc h LEU 58 N 9.40 0.70 -9.44 0.00 3.38 0.73 -0.90 115.31 119.18 2jmc h LEU 58 Ca -0.26 -0.85 -0.56 0.00 0.09 0.00 0.00 57.88 56.30 2jmc h LEU 58 Cb 1.11 -0.22 -0.13 0.00 0.09 0.00 0.00 40.66 41.50 2jmc h LEU 58 CO 0.84 1.47 -0.61 -0.31 0.09 0.00 0.00 178.44 179.92 2jmc s TYR 59 N -2.88 2.26 0.05 1.13 2.02 -0.35 -4.72 117.35 114.86 2jmc s TYR 59 Ca -0.11 -0.77 -0.23 0.00 -0.37 0.00 0.00 57.07 55.58 2jmc s TYR 59 Cb 0.04 -1.52 -0.06 0.00 -0.40 0.00 0.00 41.96 40.02 2jmc s TYR 59 CO 0.88 0.28 0.71 0.16 -1.57 0.00 0.00 175.55 176.01 2jmc s ASP 60 N -3.60 7.16 0.05 2.29 1.47 -1.25 -3.96 116.67 118.83 2jmc s ASP 60 Ca 0.35 1.38 -0.07 0.00 1.18 0.00 0.00 52.55 55.39 2jmc s ASP 60 Cb 0.09 -2.44 -0.01 0.00 -0.34 0.00 0.00 42.92 40.22 2jmc s ASP 60 CO 0.16 0.08 0.14 -0.47 0.68 0.00 0.00 175.17 175.76 2jmc s TYR 61 N -0.28 0.17 -0.10 2.11 6.14 -0.27 -4.98 117.35 120.15 2jmc s TYR 61 Ca 0.36 -0.49 -0.04 0.00 0.64 0.00 0.00 57.07 57.54 2jmc s TYR 61 Cb -0.20 -0.11 0.05 0.00 0.42 0.00 0.00 41.96 42.12 2jmc s TYR 61 CO 0.22 -0.42 0.20 -0.65 0.64 0.00 0.00 175.55 175.54 2jmc s GLN 62 N -2.95 0.11 0.29 4.97 -1.52 -1.26 -2.03 119.66 117.27 2jmc s GLN 62 Ca -0.02 0.58 0.10 0.00 -1.95 0.00 0.00 55.36 54.07 2jmc s GLN 62 Cb 0.01 -0.16 -0.05 0.00 -0.22 0.00 0.00 33.01 32.59 2jmc s GLN 62 CO -0.06 -0.25 -0.07 -2.00 -0.25 0.00 0.00 175.29 172.66 2jmc s GLU 63 N 1.94 2.02 -0.22 2.91 -6.30 -0.43 -5.00 118.70 113.62 2jmc s GLU 63 Ca -0.02 -1.63 0.00 0.00 -2.50 0.00 0.00 54.97 50.82 2jmc s GLU 63 Cb -0.12 -1.96 0.06 0.00 0.00 0.00 0.00 34.13 32.11 2jmc s GLU 63 CO -0.07 0.30 -0.04 0.45 0.02 0.00 0.00 175.26 175.92 2jmc s SER 64 N -3.62 3.63 0.14 -1.70 0.15 -1.26 -3.72 113.70 107.31 2jmc s SER 64 Ca 0.32 -1.08 0.00 0.00 0.70 0.00 0.00 55.95 55.88 2jmc s SER 64 Cb -0.04 -1.06 0.00 0.00 -1.71 0.00 0.00 66.02 63.21 2jmc s SER 64 CO 0.18 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.98 2jmc n GLY 65 N 4.75 -5.39 2.77 9.45 0.00 0.61 -4.55 105.19 112.83 2jmc n GLY 65 Ca -0.11 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 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 1.94 0.41 -4.30 1.61 5.75 -1.20 -4.88 116.55 115.87 2jmc n ASP 66 Ca 0.00 0.34 -0.27 0.00 -0.01 0.00 0.00 54.79 54.85 2jmc n ASP 66 Cb 0.00 -0.75 -0.14 0.00 -1.03 0.00 0.00 41.12 39.21 2jmc n ASP 66 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 2jmc s ASN 67 N 6.24 2.76 0.36 -1.12 0.02 -1.26 -4.96 114.94 116.97 2jmc s ASN 67 Ca 1.05 -0.62 -0.27 0.00 -1.02 0.00 0.00 52.86 52.00 2jmc s ASN 67 Cb -1.12 -0.20 -0.09 0.00 0.02 0.00 0.00 41.25 39.85 2jmc s ASN 67 CO 0.46 0.15 1.21 0.00 0.02 0.00 0.00 177.10 178.95 2jmc s ALA 68 N -0.94 3.31 0.00 0.60 0.00 -1.26 -3.99 121.76 119.47 2jmc s ALA 68 Ca 0.09 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.12 2jmc s ALA 68 Cb -0.10 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.61 2jmc s ALA 68 CO 0.03 -0.53 0.00 -0.35 0.00 0.00 0.00 175.76 174.91 2jmc n PRO 69 N 0.48 0.00 0.00 0.00 -0.04 -1.26 -4.82 135.00 129.36 2jmc n PRO 69 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 2jmc n PRO 69 Cb 0.44 -0.23 0.00 0.00 -0.04 0.00 0.00 33.50 33.67 2jmc n PRO 69 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2jmc n SER 70 N 0.00 0.00 -4.62 3.54 2.88 -1.26 -4.88 113.62 109.28 2jmc n SER 70 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 2jmc n SER 70 Cb 0.00 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 63.60 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 0.00 2.30 0.39 0.66 1.13 -1.26 -5.03 117.35 115.54 2jmc s TYR 71 Ca 0.00 0.71 -0.24 0.00 -1.41 0.00 0.00 57.07 56.13 2jmc s TYR 71 Cb 0.00 -3.54 -0.09 0.00 -1.10 0.00 0.00 41.96 37.22 2jmc s TYR 71 CO 0.00 -2.40 1.03 -1.54 -2.51 0.00 0.00 175.55 170.14 2jmc s SER 72 N -4.30 6.84 0.68 -0.18 1.04 -1.26 -4.98 113.70 111.55 2jmc s SER 72 Ca 0.66 2.01 -0.14 0.00 0.48 0.00 0.00 55.95 58.95 2jmc s SER 72 Cb -0.12 -2.58 0.01 0.00 0.10 0.00 0.00 66.02 63.43 2jmc s SER 72 CO 0.52 -0.43 1.11 -2.16 0.98 0.00 0.00 173.24 173.26 2jmc s PRO 73 N -2.45 2.69 0.61 4.02 0.04 -1.26 -5.02 135.00 133.63 2jmc s PRO 73 Ca 0.57 1.35 -0.17 0.00 0.04 0.00 0.00 61.00 62.78 2jmc s PRO 73 Cb -0.21 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 2jmc s PRO 73 CO 0.27 -1.33 1.12 -1.25 0.04 0.00 0.00 177.00 175.85 2jmc s PRO 74 N -4.26 3.04 0.04 0.56 0.04 -1.26 -4.98 135.00 128.19 2jmc s PRO 74 Ca 0.66 1.49 -0.31 0.00 0.04 0.00 0.00 61.00 62.88 2jmc s PRO 74 Cb -0.20 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.30 2jmc s PRO 74 CO 0.44 -1.08 1.41 -1.25 0.04 0.00 0.00 177.00 176.57 2jmc s PRO 75 N -3.74 4.29 1.01 0.56 0.04 -1.26 -4.98 135.00 130.93 2jmc s PRO 75 Ca 0.70 2.03 -0.13 0.00 0.04 0.00 0.00 61.00 63.64 2jmc s PRO 75 Cb -0.22 -3.47 0.20 0.00 0.04 0.00 0.00 34.50 31.05 2jmc s PRO 75 CO 0.35 -0.54 1.09 -1.25 0.04 0.00 0.00 177.00 176.70 2jmc s PRO 76 N 1.97 0.30 0.00 0.56 0.04 -1.26 -5.15 135.00 131.46 2jmc s PRO 76 Ca 0.65 0.48 0.16 0.00 0.04 0.00 0.00 61.00 62.32 2jmc s PRO 76 Cb -0.34 -1.72 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 0.00 177.00 175.50