#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 1.15 0.65 4.61 0.00 -1.26 -5.12 121.76 121.79 2jmc s ALA 2 Ca 0.00 -0.39 -0.16 0.00 0.00 0.00 0.00 51.96 51.41 2jmc s ALA 2 Cb 0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 23.12 22.40 2jmc s ALA 2 CO 0.00 -0.19 1.14 -1.64 0.00 0.00 0.00 175.76 175.07 2jmc s MET 3 N 1.28 2.78 0.57 0.00 1.00 -1.26 -4.80 119.30 118.88 2jmc s MET 3 Ca -0.04 1.53 0.00 0.00 0.00 0.00 0.00 55.69 57.18 2jmc s MET 3 Cb -0.14 -1.94 0.00 0.00 0.00 0.00 0.00 34.83 32.76 2jmc s MET 3 CO -0.03 -1.29 0.00 0.41 0.00 0.00 0.00 175.02 174.11 2jmc n GLY 4 N -0.16 -4.18 0.20 -0.03 0.00 -1.26 -1.61 105.19 98.15 2jmc n GLY 4 Ca 0.11 -0.73 0.06 0.00 0.00 0.00 0.00 46.02 45.46 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 0.76 0.00 -4.70 1.61 0.13 -1.94 -3.38 132.00 124.48 2jmc h PRO 5 Ca 0.00 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.44 2jmc h PRO 5 Cb 0.60 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 31.44 2jmc h PRO 5 CO 0.00 0.34 -0.62 -0.98 -0.23 0.00 0.00 178.00 176.52 2jmc s ARG 6 N -3.87 2.66 -0.16 0.86 1.70 -1.26 -4.99 118.95 113.90 2jmc s ARG 6 Ca -0.01 -1.15 -0.00 0.00 -0.47 0.00 0.00 55.73 54.10 2jmc s ARG 6 Cb 0.12 -3.43 -0.00 0.00 -0.57 0.00 0.00 34.95 31.07 2jmc s ARG 6 CO 0.68 -0.64 -0.14 -1.83 -1.08 0.00 0.00 175.30 172.30 2jmc s GLU 7 N 1.40 3.25 -0.25 3.89 1.03 -1.26 -1.33 118.70 125.43 2jmc s GLU 7 Ca -0.01 -0.73 -0.10 0.00 0.03 0.00 0.00 54.97 54.16 2jmc s GLU 7 Cb -0.19 -2.66 -0.04 0.00 -0.80 0.00 0.00 34.13 30.43 2jmc s GLU 7 CO 0.02 0.02 0.14 0.54 -1.33 0.00 0.00 175.26 174.66 2jmc s VAL 8 N 0.82 5.04 -0.14 1.83 0.11 -0.26 -4.78 120.40 123.02 2jmc s VAL 8 Ca -0.05 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.07 2jmc s VAL 8 Cb -0.15 -3.36 0.03 0.00 -1.53 0.00 0.00 36.38 31.36 2jmc s VAL 8 CO 0.00 0.32 -0.11 0.42 -3.33 0.00 0.00 175.10 172.40 2jmc s THR 9 N 1.39 1.36 -0.00 5.04 -4.23 -1.26 0.49 115.64 118.43 2jmc s THR 9 Ca 0.07 -0.53 -0.28 0.00 -1.18 0.00 0.00 61.69 59.77 2jmc s THR 9 Cb -0.15 -1.32 -0.04 0.00 1.34 0.00 0.00 72.50 72.33 2jmc s THR 9 CO 0.06 0.40 0.88 -0.04 -0.54 0.00 0.00 174.62 175.39 2jmc s MET 10 N 1.57 4.54 -0.16 3.99 -1.94 -0.91 -4.88 119.30 121.52 2jmc s MET 10 Ca 0.04 1.25 -0.04 0.00 -1.71 0.00 0.00 55.69 55.23 2jmc s MET 10 Cb -0.13 -3.44 -0.03 0.00 2.01 0.00 0.00 34.83 33.24 2jmc s MET 10 CO -0.10 0.04 -0.02 0.21 -0.01 0.00 0.00 175.02 175.14 2jmc s LYS 11 N 0.76 3.69 -0.36 2.03 2.47 -1.26 -0.84 119.74 126.22 2jmc s LYS 11 Ca 0.46 -0.48 -0.38 0.00 -1.56 0.00 0.00 55.97 54.01 2jmc s LYS 11 Cb -0.20 -2.96 -0.14 0.00 -1.46 0.00 0.00 37.83 33.08 2jmc s LYS 11 CO 0.25 0.28 2.10 1.17 0.16 0.00 0.00 175.35 179.31 2jmc n LYS 12 N 3.44 0.90 -0.29 4.03 4.81 -1.25 0.19 118.16 129.98 2jmc n LYS 12 Ca -0.17 0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 2jmc n LYS 12 Cb 0.52 -2.22 0.00 0.00 0.02 0.00 0.00 35.03 33.36 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 6.31 0.82 3.49 3.14 0.00 0.08 -5.01 105.19 114.02 2jmc n GLY 13 Ca 0.41 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.28 4.09 -0.15 1.61 -1.08 0.13 -4.90 116.67 114.08 2jmc s ASP 14 Ca 0.00 -0.24 -0.17 0.00 -0.52 0.00 0.00 52.55 51.63 2jmc s ASP 14 Cb 0.00 -0.84 -0.04 0.00 -1.46 0.00 0.00 42.92 40.58 2jmc s ASP 14 CO 0.00 0.31 0.42 -0.63 0.52 0.00 0.00 175.17 175.80 2jmc s ILE 15 N -0.82 5.21 -0.09 4.11 1.01 -1.26 -1.19 121.20 128.16 2jmc s ILE 15 Ca 0.13 0.81 0.01 0.00 0.00 0.00 0.00 60.65 61.61 2jmc s ILE 15 Cb -0.11 -3.76 0.02 0.00 0.01 0.00 0.00 42.46 38.62 2jmc s ILE 15 CO 0.03 0.31 -0.11 -0.76 0.00 0.00 0.00 174.94 174.40 2jmc s LEU 16 N 0.84 1.52 -0.27 2.97 1.02 -1.08 -4.99 118.68 118.69 2jmc s LEU 16 Ca 0.22 -0.32 -0.43 0.00 0.02 0.00 0.00 54.13 53.62 2jmc s LEU 16 Cb -0.15 -0.88 -0.19 0.00 0.02 0.00 0.00 46.19 44.99 2jmc s LEU 16 CO 0.08 -0.02 1.43 0.41 0.02 0.00 0.00 176.35 178.28 2jmc n THR 17 N 4.23 0.04 -1.09 5.49 -1.04 -1.24 -2.79 114.28 117.88 2jmc n THR 17 Ca -0.19 -0.01 -0.41 0.00 -2.04 0.00 0.00 64.05 61.40 2jmc n THR 17 Cb 0.51 -0.45 -0.08 0.00 -1.82 0.00 0.00 70.33 68.49 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 3.27 3.04 0.00 -4.42 -0.00 0.12 -2.69 117.00 116.32 2jmc n LEU 18 Ca 0.26 -2.53 -0.19 0.00 -0.00 0.00 0.00 56.01 53.55 2jmc n LEU 18 Cb 0.02 -1.04 0.18 0.00 -0.00 0.00 0.00 43.42 42.59 2jmc n LEU 18 CO 0.78 -1.09 0.21 0.18 -0.00 0.00 0.00 177.39 177.47 2jmc n LEU 19 N 9.12 0.00 -4.45 -1.96 4.32 -0.10 -4.60 117.00 119.32 2jmc n LEU 19 Ca 0.48 -0.54 -0.45 0.00 -0.02 0.00 0.00 56.01 55.49 2jmc n LEU 19 Cb 0.42 -0.66 -0.12 0.00 -1.62 0.00 0.00 43.42 41.43 2jmc n LEU 19 CO 1.03 -2.36 2.07 0.59 -1.22 0.00 0.00 177.39 177.50 2jmc n ASN 20 N -3.98 0.78 -1.07 -1.43 4.13 -1.26 -4.41 115.26 108.02 2jmc n ASN 20 Ca 0.08 0.21 0.07 0.00 1.68 0.00 0.00 54.58 56.63 2jmc n ASN 20 Cb 0.37 -1.03 0.24 0.00 -1.54 0.00 0.00 39.78 37.82 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 10.54 3.10 -0.29 6.41 3.41 -1.26 -2.05 113.62 133.47 2jmc n SER 21 Ca 0.58 -2.17 -0.03 0.00 -0.26 0.00 0.00 58.87 57.00 2jmc n SER 21 Cb 0.10 -0.41 0.01 0.00 -0.26 0.00 0.00 64.21 63.64 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 0.83 -0.42 -1.69 6.66 5.66 -1.26 -4.37 114.28 119.68 2jmc n THR 22 Ca 0.17 1.76 -0.40 0.00 -3.05 0.00 0.00 64.05 62.53 2jmc n THR 22 Cb 0.55 -2.28 0.03 0.00 -1.55 0.00 0.00 70.33 67.08 2jmc n THR 22 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2jmc n ASN 23 N -5.05 2.11 -0.02 1.09 4.13 -1.24 -4.94 115.26 111.33 2jmc n ASN 23 Ca 0.06 1.00 -0.18 0.00 1.68 0.00 0.00 54.58 57.14 2jmc n ASN 23 Cb 0.27 -1.49 -0.14 0.00 -1.54 0.00 0.00 39.78 36.89 2jmc n ASN 23 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2jmc n LYS 24 N -0.50 0.72 0.00 3.52 5.02 -1.26 -4.11 118.16 121.54 2jmc n LYS 24 Ca 0.09 0.24 0.13 0.00 -2.02 0.00 0.00 58.31 56.76 2jmc n LYS 24 Cb 0.43 -1.69 0.43 0.00 -0.02 0.00 0.00 35.03 34.18 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 -3.33 1.65 -3.66 4.39 9.92 -1.26 -4.76 116.55 119.50 2jmc n ASP 25 Ca -0.31 -1.48 -0.08 0.00 -0.53 0.00 0.00 54.79 52.39 2jmc n ASP 25 Cb 1.05 0.03 -0.09 0.00 -0.64 0.00 0.00 41.12 41.47 2jmc n ASP 25 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 2jmc s TRP 26 N -2.08 -0.81 -0.30 1.24 0.52 -1.26 -3.86 118.94 112.38 2jmc s TRP 26 Ca 0.34 1.57 -0.07 0.00 0.02 0.00 0.00 56.10 57.96 2jmc s TRP 26 Cb 0.21 0.35 0.01 0.00 -1.15 0.00 0.00 33.47 32.88 2jmc s TRP 26 CO 0.36 -0.47 0.08 -1.58 0.02 0.00 0.00 176.95 175.35 2jmc s TRP 27 N 2.40 3.15 0.26 -1.98 0.52 0.41 -3.71 118.94 120.00 2jmc s TRP 27 Ca -0.04 -1.03 -0.30 0.00 0.02 0.00 0.00 56.10 54.75 2jmc s TRP 27 Cb -0.11 -2.25 -0.11 0.00 -1.15 0.00 0.00 33.47 29.85 2jmc s TRP 27 CO -0.13 -0.59 1.55 0.21 0.02 0.00 0.00 176.95 178.00 2jmc s LYS 28 N 1.49 4.18 -0.07 4.98 2.20 -0.87 -3.21 119.74 128.43 2jmc s LYS 28 Ca 0.02 2.47 -0.06 0.00 -0.36 0.00 0.00 55.97 58.05 2jmc s LYS 28 Cb -0.17 -3.06 0.02 0.00 -1.51 0.00 0.00 37.83 33.10 2jmc s LYS 28 CO 0.02 -0.57 0.18 0.14 -0.36 0.00 0.00 175.35 174.76 2jmc s VAL 29 N 0.15 -0.00 0.39 4.02 -7.23 -0.94 -0.93 120.40 115.86 2jmc s VAL 29 Ca 0.63 0.01 -0.01 0.00 -1.81 0.00 0.00 61.98 60.81 2jmc s VAL 29 Cb -0.46 -0.26 -0.03 0.00 0.56 0.00 0.00 36.38 36.20 2jmc s VAL 29 CO 0.44 0.00 0.61 -0.70 -0.31 0.00 0.00 175.10 175.15 2jmc s GLU 30 N 0.17 3.44 -0.37 4.82 2.12 -1.10 -2.57 118.70 125.21 2jmc s GLU 30 Ca -0.01 -0.25 0.01 0.00 0.36 0.00 0.00 54.97 55.09 2jmc s GLU 30 Cb -0.02 -2.59 0.15 0.00 0.26 0.00 0.00 34.13 31.93 2jmc s GLU 30 CO -0.00 0.02 0.26 0.08 -0.54 0.00 0.00 175.26 175.08 2jmc s VAL 31 N -2.43 0.19 0.00 3.70 1.01 0.64 -3.70 120.40 119.81 2jmc s VAL 31 Ca 0.42 -2.01 0.00 0.00 0.00 0.00 0.00 61.98 60.40 2jmc s VAL 31 Cb -0.10 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.13 2jmc s VAL 31 CO 0.38 -1.07 0.00 0.59 0.00 0.00 0.00 175.10 175.00 2jmc n ASN 32 N 3.65 0.00 0.00 3.32 5.03 -1.26 -0.63 115.26 125.37 2jmc n ASN 32 Ca 0.18 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.63 2jmc n ASN 32 Cb 0.41 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.17 2jmc n ASN 32 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2jmc n ASP 33 N 1.32 0.21 -4.12 6.41 2.03 -1.26 -5.05 116.55 116.09 2jmc n ASP 33 Ca 0.00 -1.02 -0.31 0.00 0.52 0.00 0.00 54.79 53.99 2jmc n ASP 33 Cb 0.00 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.23 2jmc n ASP 33 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2jmc s ARG 34 N -0.02 2.64 0.27 -0.67 0.52 0.20 -4.98 118.95 116.90 2jmc s ARG 34 Ca 0.00 -0.72 0.08 0.00 -0.52 0.00 0.00 55.73 54.58 2jmc s ARG 34 Cb 0.00 -2.17 -0.05 0.00 0.52 0.00 0.00 34.95 33.24 2jmc s ARG 34 CO 0.00 -0.03 -0.11 -0.65 0.02 0.00 0.00 175.30 174.53 2jmc s GLN 35 N 0.89 1.54 0.00 3.54 -0.21 -1.26 0.23 119.66 124.39 2jmc s GLN 35 Ca -0.07 -1.74 0.00 0.00 0.02 0.00 0.00 55.36 53.56 2jmc s GLN 35 Cb -0.15 -1.31 0.00 0.00 1.00 0.00 0.00 33.01 32.55 2jmc s GLN 35 CO -0.02 0.14 0.00 0.41 -2.12 0.00 0.00 175.29 173.70 2jmc n GLY 36 N -0.56 0.30 3.71 3.09 0.00 -1.06 -4.11 105.19 106.57 2jmc n GLY 36 Ca -0.06 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.00 3.65 0.07 1.61 0.08 -1.26 -2.21 117.98 117.93 2jmc s PHE 37 Ca 0.00 1.59 0.02 0.00 0.12 0.00 0.00 56.93 58.66 2jmc s PHE 37 Cb 0.00 -3.02 -0.03 0.00 -0.57 0.00 0.00 43.02 39.39 2jmc s PHE 37 CO 0.00 0.04 -0.07 0.14 -0.10 0.00 0.00 175.22 175.23 2jmc s VAL 38 N 0.84 0.65 -0.10 -0.44 -7.23 -1.20 -4.90 120.40 108.03 2jmc s VAL 38 Ca 0.47 -1.53 -0.29 0.00 -1.81 0.00 0.00 61.98 58.82 2jmc s VAL 38 Cb -0.20 -1.18 -0.04 0.00 0.56 0.00 0.00 36.38 35.52 2jmc s VAL 38 CO 0.25 -0.63 1.53 -2.16 -0.31 0.00 0.00 175.10 173.79 2jmc s PRO 39 N -2.74 4.17 0.56 4.82 0.04 -1.26 0.16 135.00 140.74 2jmc s PRO 39 Ca 0.02 1.99 0.27 0.00 0.04 0.00 0.00 61.00 63.31 2jmc s PRO 39 Cb -0.02 -3.92 1.47 0.00 0.04 0.00 0.00 34.50 32.07 2jmc s PRO 39 CO -0.02 -0.83 1.81 0.00 0.04 0.00 0.00 177.00 177.99 2jmc h ALA 40 N 9.20 1.23 0.00 8.56 0.00 -1.86 0.22 119.26 136.61 2jmc h ALA 40 Ca -0.35 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 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 0.96 -0.23 -0.08 0.00 0.00 0.00 0.00 179.25 179.90 2jmc h ALA 41 N 1.44 1.09 -0.00 0.00 0.00 -1.89 -1.94 119.26 117.97 2jmc h ALA 41 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2jmc h ALA 41 Cb 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2jmc h ALA 41 CO 0.00 0.10 -0.67 0.66 0.00 0.00 0.00 179.25 179.34 2jmc n TYR 42 N -3.32 0.00 -4.53 0.00 4.02 0.77 -4.77 117.16 109.33 2jmc n TYR 42 Ca -0.01 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.63 2jmc n TYR 42 Cb 0.27 -0.15 -0.09 0.00 -0.02 0.00 0.00 39.34 39.34 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 -2.98 1.06 -0.29 -0.72 -7.23 -0.73 0.12 120.40 109.63 2jmc s VAL 43 Ca 0.10 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.12 2jmc s VAL 43 Cb 0.17 -2.58 0.13 0.00 0.56 0.00 0.00 36.38 34.66 2jmc s VAL 43 CO 0.75 0.00 0.91 -0.75 -0.31 0.00 0.00 175.10 175.70 2jmc s LYS 44 N -3.82 0.44 0.29 4.82 2.20 -0.54 -4.79 119.74 118.35 2jmc s LYS 44 Ca 0.28 0.81 -0.29 0.00 -0.36 0.00 0.00 55.97 56.40 2jmc s LYS 44 Cb 0.06 0.15 -0.13 0.00 -1.51 0.00 0.00 37.83 36.40 2jmc s LYS 44 CO 0.14 -0.10 1.31 1.63 -0.36 0.00 0.00 175.35 177.97 2jmc n LYS 45 N 4.02 2.00 -3.28 4.03 5.02 -1.26 -1.88 118.16 126.81 2jmc n LYS 45 Ca -0.18 0.71 -0.22 0.00 -2.02 0.00 0.00 58.31 56.60 2jmc n LYS 45 Cb 0.57 -2.30 0.05 0.00 -0.02 0.00 0.00 35.03 33.33 2jmc n LYS 45 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2jmc n LEU 46 N 1.39 0.00 -4.03 -0.35 4.77 -1.22 -4.86 117.00 112.71 2jmc n LEU 46 Ca 0.08 -2.67 -0.31 0.00 -0.03 0.00 0.00 56.01 53.08 2jmc n LEU 46 Cb 0.34 -0.32 -0.16 0.00 -2.33 0.00 0.00 43.42 40.95 2jmc n LEU 46 CO 0.62 -0.68 -0.48 -1.81 -1.33 0.00 0.00 177.39 173.71 2jmc s ASP 47 N -4.58 3.21 0.02 -1.43 1.01 -1.26 -4.95 116.67 108.70 2jmc s ASP 47 Ca 0.54 -0.77 -0.02 0.00 0.71 0.00 0.00 52.55 53.00 2jmc s ASP 47 Cb -0.04 -1.27 -0.01 0.00 1.01 0.00 0.00 42.92 42.61 2jmc s ASP 47 CO 0.34 -0.10 -0.05 -0.24 0.21 0.00 0.00 175.17 175.33 2jmc n SER 48 N 4.68 0.74 0.00 0.27 2.88 -1.26 -5.09 113.62 115.85 2jmc n SER 48 Ca -0.16 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 2jmc n SER 48 Cb 0.48 -0.30 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 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 3.00 4.08 0.28 0.46 0.00 -1.26 -4.97 105.19 106.78 2jmc n GLY 49 Ca -0.02 -0.75 0.04 0.00 0.00 0.00 0.00 46.02 45.29 2jmc n GLY 49 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jmc h THR 50 N 0.00 0.75 0.00 2.61 1.35 -2.03 -3.46 112.91 112.13 2jmc h THR 50 Ca 0.00 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 2jmc h THR 50 Cb 0.00 0.16 0.00 0.00 -1.73 0.00 0.00 68.15 66.58 2jmc h THR 50 CO 0.00 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 175.98 2jmc n GLY 51 N -1.32 1.85 3.75 5.82 0.00 -1.26 -5.13 105.19 108.90 2jmc n GLY 51 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.01 -0.01 -0.59 1.61 1.02 -1.26 -5.03 119.74 115.47 2jmc s LYS 52 Ca 0.00 -0.06 0.02 0.00 0.02 0.00 0.00 55.97 55.95 2jmc s LYS 52 Cb 0.00 -1.74 0.15 0.00 -0.52 0.00 0.00 37.83 35.72 2jmc s LYS 52 CO 0.00 -2.91 0.36 -1.21 -0.92 0.00 0.00 175.35 170.68 2jmc s GLU 53 N -5.51 2.25 0.23 1.68 8.01 -1.26 -5.02 118.70 119.08 2jmc s GLU 53 Ca 0.70 -2.76 0.10 0.00 0.01 0.00 0.00 54.97 53.02 2jmc s GLU 53 Cb -0.09 -3.46 -0.05 0.00 -4.31 0.00 0.00 34.13 26.22 2jmc s GLU 53 CO 0.54 -1.16 -0.18 -0.48 0.01 0.00 0.00 175.26 174.00 2jmc s LEU 54 N -0.49 2.55 -0.17 1.80 0.05 -1.26 0.16 118.68 121.32 2jmc s LEU 54 Ca 0.19 -0.99 -0.05 0.00 0.05 0.00 0.00 54.13 53.32 2jmc s LEU 54 Cb -0.20 -0.91 0.08 0.00 -2.05 0.00 0.00 46.19 43.11 2jmc s LEU 54 CO -0.04 -0.04 0.32 0.68 -0.55 0.00 0.00 176.35 176.72 2jmc s VAL 55 N -2.56 -0.50 0.48 1.48 -7.23 -1.12 -3.39 120.40 107.56 2jmc s VAL 55 Ca 0.25 0.16 -0.21 0.00 -1.81 0.00 0.00 61.98 60.37 2jmc s VAL 55 Cb -0.04 -0.58 -0.07 0.00 0.56 0.00 0.00 36.38 36.25 2jmc s VAL 55 CO 0.10 0.04 1.12 -0.22 -0.31 0.00 0.00 175.10 175.83 2jmc s LEU 56 N 2.49 3.91 -0.56 1.32 1.98 -0.79 -2.63 118.68 124.40 2jmc s LEU 56 Ca 0.02 2.17 -0.20 0.00 -2.89 0.00 0.00 54.13 53.23 2jmc s LEU 56 Cb -0.13 -4.40 0.08 0.00 0.66 0.00 0.00 46.19 42.40 2jmc s LEU 56 CO -0.11 -0.94 0.71 0.00 -1.89 0.00 0.00 176.35 174.12 2jmc s ALA 57 N -1.71 3.36 0.19 5.97 0.00 -0.34 -1.47 121.76 127.77 2jmc s ALA 57 Ca 0.66 -1.96 -0.08 0.00 0.00 0.00 0.00 51.96 50.59 2jmc s ALA 57 Cb -0.24 -3.50 0.10 0.00 0.00 0.00 0.00 23.12 19.47 2jmc s ALA 57 CO 0.29 -2.27 1.61 -0.07 0.00 0.00 0.00 175.76 175.32 2jmc h LEU 58 N 10.06 0.95 -9.56 0.00 3.38 0.55 0.26 115.31 120.95 2jmc h LEU 58 Ca -0.28 -0.33 -0.58 0.00 0.09 0.00 0.00 57.88 56.78 2jmc h LEU 58 Cb 1.09 -0.26 -0.13 0.00 0.09 0.00 0.00 40.66 41.45 2jmc h LEU 58 CO 1.06 1.09 -0.58 -0.31 0.09 0.00 0.00 178.44 179.79 2jmc s TYR 59 N -4.75 2.13 -0.04 1.13 2.02 -0.67 -4.72 117.35 112.44 2jmc s TYR 59 Ca -0.11 -0.89 -0.16 0.00 -0.37 0.00 0.00 57.07 55.54 2jmc s TYR 59 Cb 0.13 -1.51 -0.05 0.00 -0.40 0.00 0.00 41.96 40.13 2jmc s TYR 59 CO 0.85 0.17 0.43 0.16 -1.57 0.00 0.00 175.55 175.59 2jmc s ASP 60 N -3.65 6.76 0.17 2.29 -4.77 -1.26 -3.96 116.67 112.24 2jmc s ASP 60 Ca 0.29 0.90 0.00 0.00 -3.30 0.00 0.00 52.55 50.44 2jmc s ASP 60 Cb 0.07 -2.26 -0.04 0.00 -1.09 0.00 0.00 42.92 39.60 2jmc s ASP 60 CO 0.14 0.21 0.04 -0.47 0.70 0.00 0.00 175.17 175.79 2jmc s TYR 61 N -0.45 1.10 -0.12 2.11 6.14 -0.02 -4.94 117.35 121.16 2jmc s TYR 61 Ca 0.24 -1.15 -0.05 0.00 0.64 0.00 0.00 57.07 56.75 2jmc s TYR 61 Cb -0.16 -0.62 0.06 0.00 0.42 0.00 0.00 41.96 41.66 2jmc s TYR 61 CO 0.12 -0.38 0.25 -1.14 0.64 0.00 0.00 175.55 175.04 2jmc s GLN 62 N -4.00 0.14 -0.09 4.97 2.00 -1.26 -2.13 119.66 119.29 2jmc s GLN 62 Ca 0.27 0.72 0.04 0.00 -2.00 0.00 0.00 55.36 54.39 2jmc s GLN 62 Cb 0.07 -0.06 -0.00 0.00 0.80 0.00 0.00 33.01 33.82 2jmc s GLN 62 CO 0.05 -0.28 -0.24 -2.00 -0.50 0.00 0.00 175.29 172.32 2jmc s GLU 63 N 2.33 2.95 -0.50 1.67 -6.30 0.18 -4.96 118.70 114.06 2jmc s GLU 63 Ca 0.01 -0.88 -0.04 0.00 -2.50 0.00 0.00 54.97 51.55 2jmc s GLU 63 Cb -0.12 -2.28 0.13 0.00 0.00 0.00 0.00 34.13 31.86 2jmc s GLU 63 CO -0.08 0.23 0.32 -1.12 0.02 0.00 0.00 175.26 174.63 2jmc s SER 64 N 0.22 5.38 0.01 -1.70 0.01 -1.26 -1.10 113.70 115.27 2jmc s SER 64 Ca -0.15 -2.28 0.00 0.00 1.31 0.00 0.00 55.95 54.82 2jmc s SER 64 Cb -0.17 -1.88 0.00 0.00 0.21 0.00 0.00 66.02 64.18 2jmc s SER 64 CO 0.08 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 173.82 2jmc n GLY 65 N 4.29 -3.35 2.77 3.44 0.00 -0.45 -4.18 105.19 107.72 2jmc n GLY 65 Ca 0.00 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 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 0.12 0.41 -4.27 1.61 2.03 -1.24 -4.88 116.55 110.33 2jmc n ASP 66 Ca 0.00 0.34 -0.28 0.00 0.52 0.00 0.00 54.79 55.37 2jmc n ASP 66 Cb 0.00 -0.75 -0.15 0.00 -0.72 0.00 0.00 41.12 39.50 2jmc n ASP 66 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2jmc s ASN 67 N 6.23 2.67 0.32 1.67 0.02 -1.26 -4.98 114.94 119.60 2jmc s ASN 67 Ca 1.05 -0.48 -0.28 0.00 -1.02 0.00 0.00 52.86 52.13 2jmc s ASN 67 Cb -1.12 -0.26 -0.09 0.00 0.02 0.00 0.00 41.25 39.79 2jmc s ASN 67 CO 0.47 0.23 1.07 0.00 0.02 0.00 0.00 177.10 178.88 2jmc s ALA 68 N -0.68 3.29 -1.19 0.60 0.00 -1.26 -4.02 121.76 118.51 2jmc s ALA 68 Ca 0.09 0.80 -0.23 0.00 0.00 0.00 0.00 51.96 52.62 2jmc s ALA 68 Cb -0.09 -3.30 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 2jmc s ALA 68 CO 0.01 -0.14 1.93 -1.25 0.00 0.00 0.00 175.76 176.31 2jmc s PRO 69 N -1.78 2.49 0.00 0.00 0.04 -1.26 -4.66 135.00 129.83 2jmc s PRO 69 Ca 0.49 -1.19 0.28 0.00 0.04 0.00 0.00 61.00 60.61 2jmc s PRO 69 Cb -0.28 -5.25 1.03 0.00 0.04 0.00 0.00 34.50 30.04 2jmc s PRO 69 CO 0.35 -4.01 1.74 0.43 0.04 0.00 0.00 177.00 175.56 2jmc n SER 70 N 14.41 0.63 -4.25 6.66 7.64 -1.26 -4.89 113.62 132.56 2jmc n SER 70 Ca 0.45 -0.61 -0.19 0.00 1.01 0.00 0.00 58.87 59.52 2jmc n SER 70 Cb 0.47 -0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.56 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 -2.54 1.68 0.69 1.43 -0.85 -1.26 -5.15 117.35 111.35 2jmc s TYR 71 Ca 0.26 -1.18 -0.13 0.00 -0.52 0.00 0.00 57.07 55.49 2jmc s TYR 71 Cb 0.20 -1.01 0.01 0.00 0.38 0.00 0.00 41.96 41.54 2jmc s TYR 71 CO 0.50 -0.29 1.09 -1.12 -1.52 0.00 0.00 175.55 174.22 2jmc s SER 72 N -3.40 5.05 0.47 -0.18 0.01 -1.26 -5.00 113.70 109.38 2jmc s SER 72 Ca 0.35 1.89 -0.22 0.00 1.31 0.00 0.00 55.95 59.28 2jmc s SER 72 Cb 0.07 -2.53 -0.07 0.00 0.21 0.00 0.00 66.02 63.69 2jmc s SER 72 CO 0.15 -1.67 1.16 -2.16 0.41 0.00 0.00 173.24 171.13 2jmc s PRO 73 N -4.41 3.69 0.55 12.44 0.04 -1.26 -5.01 135.00 141.03 2jmc s PRO 73 Ca 0.64 1.74 -0.19 0.00 0.04 0.00 0.00 61.00 63.23 2jmc s PRO 73 Cb -0.18 -2.33 -0.06 0.00 0.04 0.00 0.00 34.50 31.97 2jmc s PRO 73 CO 0.46 -0.60 1.13 -1.25 0.04 0.00 0.00 177.00 176.78 2jmc s PRO 74 N -2.80 3.33 0.04 0.56 0.04 -1.26 -4.98 135.00 129.93 2jmc s PRO 74 Ca 0.65 1.60 -0.31 0.00 0.04 0.00 0.00 61.00 62.98 2jmc s PRO 74 Cb -0.28 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.20 2jmc s PRO 74 CO 0.33 -0.87 1.42 -1.25 0.04 0.00 0.00 177.00 176.67 2jmc s PRO 75 N -3.33 4.29 1.01 0.56 0.04 -1.26 -4.98 135.00 131.33 2jmc s PRO 75 Ca 0.72 2.03 -0.12 0.00 0.04 0.00 0.00 61.00 63.67 2jmc s PRO 75 Cb -0.24 -3.47 0.19 0.00 0.04 0.00 0.00 34.50 31.03 2jmc s PRO 75 CO 0.28 -0.54 1.09 -1.25 0.04 0.00 0.00 177.00 176.62 2jmc s PRO 76 N 1.97 0.36 0.00 0.56 0.04 -1.26 -5.17 135.00 131.50 2jmc s PRO 76 Ca 0.65 0.50 0.16 0.00 0.04 0.00 0.00 61.00 62.34 2jmc s PRO 76 Cb -0.34 -1.73 0.93 0.00 0.04 0.00 0.00 34.50 33.40 2jmc s PRO 76 CO 0.28 -2.78 1.34 -0.35 0.04 0.00 0.00 177.00 175.54