#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 1.80 0.74 4.61 0.00 -1.26 -5.12 121.76 122.52 2jmc s ALA 2 Ca 0.00 -0.78 -0.16 0.00 0.00 0.00 0.00 51.96 51.03 2jmc s ALA 2 Cb 0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.45 2jmc s ALA 2 CO 0.00 0.26 0.73 -1.33 0.00 0.00 0.00 175.76 175.42 2jmc n MET 3 N 3.43 0.35 -0.93 0.00 2.00 -1.26 -4.90 117.12 115.80 2jmc n MET 3 Ca -0.20 0.17 -0.37 0.00 0.00 0.00 0.00 57.70 57.30 2jmc n MET 3 Cb 0.52 -2.01 0.06 0.00 0.00 0.00 0.00 33.22 31.80 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 1.37 -3.26 0.00 3.03 0.00 -1.26 -4.74 105.19 100.33 2jmc n GLY 4 Ca 0.11 -0.43 0.06 0.00 0.00 0.00 0.00 46.02 45.77 2jmc n GLY 4 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jmc n PRO 5 N 1.46 0.49 -1.14 1.61 -0.04 -1.26 -4.44 135.00 131.68 2jmc n PRO 5 Ca -0.01 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.08 2jmc n PRO 5 Cb 0.67 -1.41 -0.11 0.00 -0.04 0.00 0.00 33.50 32.61 2jmc n PRO 5 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2jmc n ARG 6 N -0.91 0.00 -3.84 0.54 1.74 -1.26 -4.01 116.66 108.92 2jmc n ARG 6 Ca 0.10 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.82 2jmc n ARG 6 Cb 0.04 -1.20 -0.13 0.00 -1.02 0.00 0.00 32.46 30.16 2jmc n ARG 6 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2jmc s GLU 7 N 6.48 2.25 -0.13 5.56 2.02 -1.26 0.44 118.70 134.08 2jmc s GLU 7 Ca 1.05 -1.50 -0.23 0.00 0.02 0.00 0.00 54.97 54.31 2jmc s GLU 7 Cb -1.06 -3.39 -0.03 0.00 0.10 0.00 0.00 34.13 29.75 2jmc s GLU 7 CO 0.43 -0.82 0.70 0.54 0.02 0.00 0.00 175.26 176.13 2jmc s VAL 8 N 1.22 5.01 0.06 2.63 0.11 -0.95 -4.78 120.40 123.70 2jmc s VAL 8 Ca 0.01 1.40 0.07 0.00 -2.93 0.00 0.00 61.98 60.53 2jmc s VAL 8 Cb -0.21 -4.03 -0.03 0.00 -1.53 0.00 0.00 36.38 30.58 2jmc s VAL 8 CO -0.02 0.17 -0.19 0.42 -3.33 0.00 0.00 175.10 172.15 2jmc s THR 9 N 1.39 1.51 -0.09 5.04 -4.23 -1.26 0.55 115.64 118.55 2jmc s THR 9 Ca 0.35 -1.28 -0.01 0.00 -1.18 0.00 0.00 61.69 59.56 2jmc s THR 9 Cb -0.17 -1.36 -0.03 0.00 1.34 0.00 0.00 72.50 72.28 2jmc s THR 9 CO 0.14 0.03 -0.01 -0.04 -0.54 0.00 0.00 174.62 174.20 2jmc s MET 10 N -1.47 2.98 -0.17 3.99 -1.94 0.12 -4.92 119.30 117.89 2jmc s MET 10 Ca 0.05 -0.44 0.00 0.00 -1.71 0.00 0.00 55.69 53.59 2jmc s MET 10 Cb -0.09 -2.76 0.00 0.00 2.01 0.00 0.00 34.83 33.99 2jmc s MET 10 CO 0.03 0.67 -0.16 0.15 -0.01 0.00 0.00 175.02 175.70 2jmc s LYS 11 N -0.80 3.16 -0.38 2.03 1.02 -1.26 -1.84 119.74 121.67 2jmc s LYS 11 Ca 0.12 -0.77 -0.39 0.00 0.02 0.00 0.00 55.97 54.96 2jmc s LYS 11 Cb -0.11 -2.63 -0.14 0.00 -0.52 0.00 0.00 37.83 34.42 2jmc s LYS 11 CO 0.02 -0.06 2.10 1.17 -0.92 0.00 0.00 175.35 177.66 2jmc n LYS 12 N 4.26 0.78 -0.26 1.68 4.81 -1.26 -0.01 118.16 128.17 2jmc n LYS 12 Ca -0.19 0.23 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 2jmc n LYS 12 Cb 0.51 -2.13 0.00 0.00 0.02 0.00 0.00 35.03 33.44 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 6.40 0.99 3.67 3.14 0.00 0.89 -4.99 105.19 115.29 2jmc n GLY 13 Ca 0.43 -0.24 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.22 4.72 -0.36 1.61 -1.08 0.99 -4.88 116.67 115.45 2jmc s ASP 14 Ca 0.00 -0.50 -0.05 0.00 -0.52 0.00 0.00 52.55 51.48 2jmc s ASP 14 Cb 0.00 -0.96 0.06 0.00 -1.46 0.00 0.00 42.92 40.56 2jmc s ASP 14 CO 0.00 0.04 0.13 -0.63 0.52 0.00 0.00 175.17 175.23 2jmc s ILE 15 N -2.03 3.63 -0.20 4.11 1.01 -1.26 -0.43 121.20 126.04 2jmc s ILE 15 Ca 0.30 -1.38 -0.07 0.00 0.00 0.00 0.00 60.65 59.49 2jmc s ILE 15 Cb -0.08 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 2jmc s ILE 15 CO 0.20 -0.31 0.06 -0.76 0.00 0.00 0.00 174.94 174.12 2jmc s LEU 16 N 1.33 3.65 -0.40 2.97 1.02 -0.95 -4.92 118.68 121.38 2jmc s LEU 16 Ca 0.00 -0.03 -0.42 0.00 0.02 0.00 0.00 54.13 53.70 2jmc s LEU 16 Cb -0.21 -1.93 -0.17 0.00 0.02 0.00 0.00 46.19 43.90 2jmc s LEU 16 CO 0.01 0.11 1.85 0.41 0.02 0.00 0.00 176.35 178.75 2jmc n THR 17 N 3.96 0.14 -1.14 5.49 -1.04 -1.25 -2.38 114.28 118.06 2jmc n THR 17 Ca -0.16 -0.06 -0.27 0.00 -2.04 0.00 0.00 64.05 61.51 2jmc n THR 17 Cb 0.52 -0.94 -0.12 0.00 -1.82 0.00 0.00 70.33 67.97 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 6.06 1.26 0.00 -4.42 -0.00 0.28 -2.67 117.00 117.52 2jmc n LEU 18 Ca 0.36 -2.10 -0.22 0.00 -0.00 0.00 0.00 56.01 54.04 2jmc n LEU 18 Cb 0.06 -1.22 0.20 0.00 -0.00 0.00 0.00 43.42 42.46 2jmc n LEU 18 CO 0.84 -2.92 0.31 0.18 -0.00 0.00 0.00 177.39 175.81 2jmc n LEU 19 N 15.25 0.00 -4.33 -1.96 4.32 0.15 -4.73 117.00 125.71 2jmc n LEU 19 Ca 0.44 -0.71 -0.58 0.00 -0.02 0.00 0.00 56.01 55.15 2jmc n LEU 19 Cb 0.45 -0.72 -0.10 0.00 -1.62 0.00 0.00 43.42 41.42 2jmc n LEU 19 CO 0.85 -2.27 1.72 0.59 -1.22 0.00 0.00 177.39 177.06 2jmc n ASN 20 N -4.83 1.19 -1.60 -1.43 4.13 -1.25 -4.38 115.26 107.09 2jmc n ASN 20 Ca 0.10 0.63 0.08 0.00 1.68 0.00 0.00 54.58 57.07 2jmc n ASN 20 Cb 0.43 -1.01 0.34 0.00 -1.54 0.00 0.00 39.78 38.01 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 7.98 4.76 -0.25 6.41 3.41 -1.26 -1.66 113.62 133.00 2jmc n SER 21 Ca 0.50 -2.58 0.03 0.00 -0.26 0.00 0.00 58.87 56.56 2jmc n SER 21 Cb 0.04 -0.60 0.08 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 0.84 -0.30 -2.14 6.66 5.66 -1.26 -4.31 114.28 119.43 2jmc n THR 22 Ca 0.24 1.59 -0.36 0.00 -3.05 0.00 0.00 64.05 62.47 2jmc n THR 22 Cb 0.94 -2.18 0.02 0.00 -1.55 0.00 0.00 70.33 67.55 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 -5.19 5.53 -0.19 1.09 -0.87 -1.23 -4.99 114.94 109.10 2jmc s ASN 23 Ca -0.10 2.30 -0.21 0.00 -1.57 0.00 0.00 52.86 53.28 2jmc s ASN 23 Cb 0.18 -2.59 -0.18 0.00 -0.02 0.00 0.00 41.25 38.64 2jmc s ASN 23 CO 0.53 -1.35 0.26 0.11 -2.57 0.00 0.00 177.10 174.08 2jmc h LYS 24 N 1.18 0.00 -0.00 -0.60 1.57 -2.01 -3.37 116.57 113.34 2jmc h LYS 24 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2jmc h LYS 24 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 2jmc h LYS 24 CO 0.57 0.85 -0.10 -0.25 -0.57 0.00 0.00 179.45 179.94 2jmc n ASP 25 N -4.50 0.36 -3.69 0.86 8.00 -1.26 -4.67 116.55 111.66 2jmc n ASP 25 Ca -0.24 -0.43 -0.24 0.00 0.71 0.00 0.00 54.79 54.59 2jmc n ASP 25 Cb 0.57 -0.12 -0.17 0.00 -0.02 0.00 0.00 41.12 41.39 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 -2.54 0.46 -0.34 1.24 0.52 -1.26 -2.65 118.94 114.37 2jmc s TRP 26 Ca 0.27 -0.25 -0.08 0.00 0.02 0.00 0.00 56.10 56.07 2jmc s TRP 26 Cb 0.20 -0.74 0.03 0.00 -1.15 0.00 0.00 33.47 31.81 2jmc s TRP 26 CO 0.49 -0.41 0.12 -1.58 0.02 0.00 0.00 176.95 175.59 2jmc s TRP 27 N 2.05 3.23 0.24 -1.98 0.52 0.44 -3.53 118.94 119.91 2jmc s TRP 27 Ca 0.03 -1.20 -0.31 0.00 0.02 0.00 0.00 56.10 54.64 2jmc s TRP 27 Cb -0.14 -2.31 -0.12 0.00 -1.15 0.00 0.00 33.47 29.75 2jmc s TRP 27 CO -0.06 -0.67 1.60 1.17 0.02 0.00 0.00 176.95 179.01 2jmc n LYS 28 N 4.87 2.55 -3.80 4.98 4.81 -0.66 -3.46 118.16 127.43 2jmc n LYS 28 Ca -0.13 0.91 -0.13 0.00 -0.87 0.00 0.00 58.31 58.10 2jmc n LYS 28 Cb 0.46 -2.69 -0.12 0.00 0.02 0.00 0.00 35.03 32.69 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 0.43 -0.00 0.50 3.15 -7.23 -0.92 -0.67 120.40 115.67 2jmc s VAL 29 Ca 0.70 0.01 -0.04 0.00 -1.81 0.00 0.00 61.98 60.84 2jmc s VAL 29 Cb -0.55 -0.27 -0.01 0.00 0.56 0.00 0.00 36.38 36.11 2jmc s VAL 29 CO 0.43 0.00 0.78 -0.70 -0.31 0.00 0.00 175.10 175.30 2jmc s GLU 30 N 0.15 3.18 -0.41 4.82 2.12 -1.09 -2.65 118.70 124.82 2jmc s GLU 30 Ca -0.00 -0.09 0.04 0.00 0.36 0.00 0.00 54.97 55.27 2jmc s GLU 30 Cb -0.02 -2.40 0.17 0.00 0.26 0.00 0.00 34.13 32.14 2jmc s GLU 30 CO -0.00 -0.38 0.36 0.08 -0.54 0.00 0.00 175.26 174.77 2jmc s VAL 31 N -2.76 0.17 0.00 3.70 1.01 0.65 -3.84 120.40 119.33 2jmc s VAL 31 Ca 0.50 -2.33 0.00 0.00 0.00 0.00 0.00 61.98 60.15 2jmc s VAL 31 Cb -0.10 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.17 2jmc s VAL 31 CO 0.43 -1.08 0.00 0.59 0.00 0.00 0.00 175.10 175.04 2jmc n ASN 32 N 3.05 0.00 0.00 3.32 3.02 -1.26 -1.24 115.26 122.15 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 0.47 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 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 1.94 0.24 -4.12 6.41 -0.08 -1.26 -5.05 116.55 114.64 2jmc n ASP 33 Ca 0.00 -1.01 -0.30 0.00 -1.51 0.00 0.00 54.79 51.97 2jmc n ASP 33 Cb 0.00 0.00 -0.17 0.00 2.34 0.00 0.00 41.12 43.29 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 -0.01 2.58 0.17 -0.67 0.52 -0.37 -5.05 118.95 116.12 2jmc s ARG 34 Ca 0.00 -0.70 0.08 0.00 -0.52 0.00 0.00 55.73 54.59 2jmc s ARG 34 Cb 0.00 -2.10 -0.04 0.00 0.52 0.00 0.00 34.95 33.33 2jmc s ARG 34 CO 0.00 0.00 -0.17 -0.65 0.02 0.00 0.00 175.30 174.50 2jmc s GLN 35 N 0.79 1.28 -0.04 3.54 -0.21 -1.26 0.24 119.66 123.99 2jmc s GLN 35 Ca -0.10 -1.43 -0.30 0.00 0.02 0.00 0.00 55.36 53.55 2jmc s GLN 35 Cb -0.16 -1.29 0.11 0.00 1.00 0.00 0.00 33.01 32.68 2jmc s GLN 35 CO 0.01 0.25 1.33 0.20 -2.12 0.00 0.00 175.29 174.96 2jmc s GLY 36 N -2.77 -0.30 -0.02 3.09 0.00 -1.09 -4.21 107.32 102.01 2jmc s GLY 36 Ca 0.17 0.43 -0.27 0.00 0.00 0.00 0.00 44.72 45.05 2jmc s GLY 36 CO 0.07 3.03 0.86 -1.36 0.00 0.00 0.00 173.10 175.69 2jmc s PHE 37 N -2.14 3.63 0.06 1.90 0.08 -1.26 -2.16 117.98 118.10 2jmc s PHE 37 Ca 0.22 1.50 0.02 0.00 0.12 0.00 0.00 56.93 58.79 2jmc s PHE 37 Cb 0.03 -2.98 -0.03 0.00 -0.57 0.00 0.00 43.02 39.47 2jmc s PHE 37 CO -0.03 0.04 -0.07 0.14 -0.10 0.00 0.00 175.22 175.20 2jmc s VAL 38 N 0.87 0.57 -0.18 -0.44 -7.23 -1.23 -4.89 120.40 107.88 2jmc s VAL 38 Ca 0.45 -1.46 -0.29 0.00 -1.81 0.00 0.00 61.98 58.88 2jmc s VAL 38 Cb -0.20 -1.08 -0.03 0.00 0.56 0.00 0.00 36.38 35.64 2jmc s VAL 38 CO 0.24 -0.62 1.58 -2.16 -0.31 0.00 0.00 175.10 173.83 2jmc s PRO 39 N -2.61 3.93 0.57 4.82 0.04 -1.26 0.17 135.00 140.66 2jmc s PRO 39 Ca -0.01 1.78 0.25 0.00 0.04 0.00 0.00 61.00 63.06 2jmc s PRO 39 Cb -0.03 -3.99 1.35 0.00 0.04 0.00 0.00 34.50 31.87 2jmc s PRO 39 CO -0.02 -1.12 1.74 0.00 0.04 0.00 0.00 177.00 177.63 2jmc h ALA 40 N 10.16 1.30 0.00 8.56 0.00 -1.77 0.23 119.26 137.72 2jmc h ALA 40 Ca -0.34 0.00 -0.03 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 0.99 -0.30 -0.16 0.00 0.00 0.00 0.00 179.25 179.79 2jmc h ALA 41 N 1.30 1.36 -0.00 0.00 0.00 -1.89 -1.59 119.26 118.45 2jmc h ALA 41 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2jmc h ALA 41 Cb 0.64 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2jmc h ALA 41 CO 0.00 0.20 -0.54 0.66 0.00 0.00 0.00 179.25 179.57 2jmc n TYR 42 N -3.80 0.00 -4.56 0.00 4.02 0.80 -4.78 117.16 108.84 2jmc n TYR 42 Ca -0.02 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.60 2jmc n TYR 42 Cb 0.26 -0.22 -0.08 0.00 -0.02 0.00 0.00 39.34 39.28 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 0.69 -0.28 -0.72 -7.23 -0.60 0.13 120.40 109.41 2jmc s VAL 43 Ca 0.11 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.04 2jmc s VAL 43 Cb 0.17 -2.31 0.12 0.00 0.56 0.00 0.00 36.38 34.92 2jmc s VAL 43 CO 0.71 0.00 0.99 -0.75 -0.31 0.00 0.00 175.10 175.73 2jmc s LYS 44 N -3.73 0.55 0.67 4.82 2.20 -0.39 -4.78 119.74 119.08 2jmc s LYS 44 Ca 0.20 0.66 -0.16 0.00 -0.36 0.00 0.00 55.97 56.31 2jmc s LYS 44 Cb 0.02 0.26 0.01 0.00 -1.51 0.00 0.00 37.83 36.61 2jmc s LYS 44 CO 0.12 -0.07 1.21 0.15 -0.36 0.00 0.00 175.35 176.41 2jmc s LYS 45 N 0.30 2.48 0.33 4.03 1.02 -1.26 -0.41 119.74 126.24 2jmc s LYS 45 Ca 0.02 1.79 0.01 0.00 0.02 0.00 0.00 55.97 57.82 2jmc s LYS 45 Cb -0.05 -1.87 -0.01 0.00 -0.52 0.00 0.00 37.83 35.38 2jmc s LYS 45 CO -0.06 -1.58 0.05 1.28 -0.92 0.00 0.00 175.35 174.13 2jmc n LEU 46 N -2.26 0.00 -4.17 3.17 4.77 -1.24 -4.77 117.00 112.51 2jmc n LEU 46 Ca 0.14 -2.29 -0.38 0.00 -0.03 0.00 0.00 56.01 53.45 2jmc n LEU 46 Cb 0.50 0.51 -0.10 0.00 -2.33 0.00 0.00 43.42 41.99 2jmc n LEU 46 CO 0.47 -0.34 -0.12 -0.62 -1.33 0.00 0.00 177.39 175.45 2jmc s ASP 47 N -2.92 5.44 -0.05 -1.43 2.15 -1.26 -4.90 116.67 113.70 2jmc s ASP 47 Ca 0.08 -1.91 -0.01 0.00 0.43 0.00 0.00 52.55 51.13 2jmc s ASP 47 Cb 0.00 -1.91 -0.01 0.00 -0.30 0.00 0.00 42.92 40.71 2jmc s ASP 47 CO 0.05 -0.59 0.08 -1.28 -0.17 0.00 0.00 175.17 173.27 2jmc h SER 48 N 8.23 -0.04 0.00 -0.34 0.87 -1.98 -3.50 113.55 116.79 2jmc h SER 48 Ca -0.17 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 2jmc h SER 48 Cb 1.06 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 2jmc h SER 48 CO 0.76 0.25 0.00 0.61 -0.53 0.00 0.00 176.83 177.92 2jmc n GLY 49 N 1.67 2.63 0.22 5.77 0.00 -1.26 -4.88 105.19 109.34 2jmc n GLY 49 Ca -0.01 -0.65 0.03 0.00 0.00 0.00 0.00 46.02 45.40 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 1.19 0.00 2.61 1.03 -2.04 -3.46 112.91 112.24 2jmc h THR 50 Ca 0.00 -0.88 0.00 0.00 -0.01 0.00 0.00 66.41 65.52 2jmc h THR 50 Cb 0.00 1.38 0.00 0.00 -1.07 0.00 0.00 68.15 68.46 2jmc h THR 50 CO 0.00 0.26 0.00 0.61 -0.01 0.00 0.00 175.52 176.38 2jmc n GLY 51 N -0.79 0.89 3.96 2.99 0.00 -1.26 -5.15 105.19 105.82 2jmc n GLY 51 Ca -0.02 0.00 -0.22 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 0.00 3.45 -0.67 1.61 1.02 -1.26 -5.07 119.74 118.82 2jmc s LYS 52 Ca 0.00 -0.65 -0.08 0.00 0.02 0.00 0.00 55.97 55.26 2jmc s LYS 52 Cb 0.00 -2.85 0.17 0.00 -0.52 0.00 0.00 37.83 34.63 2jmc s LYS 52 CO 0.00 0.39 0.54 -1.21 -0.92 0.00 0.00 175.35 174.14 2jmc s GLU 53 N -3.95 2.91 0.33 1.68 2.02 -1.26 -4.76 118.70 115.66 2jmc s GLU 53 Ca 0.35 -2.38 0.07 0.00 0.02 0.00 0.00 54.97 53.04 2jmc s GLU 53 Cb -0.09 -4.01 -0.06 0.00 0.10 0.00 0.00 34.13 30.07 2jmc s GLU 53 CO 0.30 -1.22 -0.05 -0.48 0.02 0.00 0.00 175.26 173.83 2jmc s LEU 54 N 0.26 2.60 -0.22 1.80 0.05 -1.26 0.10 118.68 122.00 2jmc s LEU 54 Ca 0.15 -1.24 -0.06 0.00 0.05 0.00 0.00 54.13 53.04 2jmc s LEU 54 Cb -0.18 -0.78 0.11 0.00 -2.05 0.00 0.00 46.19 43.29 2jmc s LEU 54 CO -0.05 -0.33 0.45 0.68 -0.55 0.00 0.00 176.35 176.55 2jmc s VAL 55 N -2.85 -0.70 0.52 1.48 -7.23 -1.00 -3.58 120.40 107.03 2jmc s VAL 55 Ca 0.32 0.10 -0.20 0.00 -1.81 0.00 0.00 61.98 60.38 2jmc s VAL 55 Cb 0.05 -0.75 -0.06 0.00 0.56 0.00 0.00 36.38 36.17 2jmc s VAL 55 CO 0.15 0.02 1.14 -0.22 -0.31 0.00 0.00 175.10 175.88 2jmc s LEU 56 N 2.65 3.83 -0.44 1.32 1.98 0.46 -2.23 118.68 126.24 2jmc s LEU 56 Ca 0.02 2.21 -0.20 0.00 -2.89 0.00 0.00 54.13 53.26 2jmc s LEU 56 Cb -0.13 -4.48 0.03 0.00 0.66 0.00 0.00 46.19 42.27 2jmc s LEU 56 CO -0.14 -1.12 0.59 0.00 -1.89 0.00 0.00 176.35 173.79 2jmc s ALA 57 N -1.71 3.37 0.02 5.97 0.00 0.43 -1.26 121.76 128.57 2jmc s ALA 57 Ca 0.70 -1.34 -0.17 0.00 0.00 0.00 0.00 51.96 51.14 2jmc s ALA 57 Cb -0.25 -3.25 -0.30 0.00 0.00 0.00 0.00 23.12 19.32 2jmc s ALA 57 CO 0.29 -1.77 1.04 -0.07 0.00 0.00 0.00 175.76 175.25 2jmc h LEU 58 N 9.54 0.76 -8.66 0.00 3.38 0.70 0.25 115.31 121.29 2jmc h LEU 58 Ca -0.26 -0.86 -0.44 0.00 0.09 0.00 0.00 57.88 56.41 2jmc h LEU 58 Cb 1.10 -0.24 -0.18 0.00 0.09 0.00 0.00 40.66 41.43 2jmc h LEU 58 CO 0.88 1.55 -0.76 -0.31 0.09 0.00 0.00 178.44 179.88 2jmc s TYR 59 N -2.82 1.51 0.06 1.13 2.02 -0.30 -4.72 117.35 114.22 2jmc s TYR 59 Ca -0.11 -0.54 -0.30 0.00 -0.37 0.00 0.00 57.07 55.75 2jmc s TYR 59 Cb 0.04 -0.78 -0.05 0.00 -0.40 0.00 0.00 41.96 40.77 2jmc s TYR 59 CO 0.90 0.19 1.12 0.16 -1.57 0.00 0.00 175.55 176.36 2jmc s ASP 60 N -2.53 7.19 0.08 2.29 -4.77 -1.26 -4.45 116.67 113.22 2jmc s ASP 60 Ca 0.11 1.93 0.01 0.00 -3.30 0.00 0.00 52.55 51.30 2jmc s ASP 60 Cb -0.05 -2.58 -0.04 0.00 -1.09 0.00 0.00 42.92 39.16 2jmc s ASP 60 CO 0.04 -0.37 -0.06 -0.47 0.70 0.00 0.00 175.17 175.01 2jmc s TYR 61 N 0.83 0.75 -0.06 2.11 6.14 -0.77 -4.92 117.35 121.44 2jmc s TYR 61 Ca 0.55 -0.87 -0.02 0.00 0.64 0.00 0.00 57.07 57.37 2jmc s TYR 61 Cb -0.27 -0.46 0.04 0.00 0.42 0.00 0.00 41.96 41.69 2jmc s TYR 61 CO 0.30 -0.19 0.12 -0.65 0.64 0.00 0.00 175.55 175.77 2jmc s GLN 62 N -3.42 0.04 0.01 4.97 -1.52 -1.26 0.11 119.66 118.58 2jmc s GLN 62 Ca 0.06 0.38 0.08 0.00 -1.95 0.00 0.00 55.36 53.94 2jmc s GLN 62 Cb 0.03 -0.24 -0.03 0.00 -0.22 0.00 0.00 33.01 32.55 2jmc s GLN 62 CO -0.05 -0.21 -0.23 -2.00 -0.25 0.00 0.00 175.29 172.54 2jmc s GLU 63 N 1.50 2.05 -0.42 2.91 -6.30 0.19 -4.97 118.70 113.66 2jmc s GLU 63 Ca -0.05 -0.97 -0.03 0.00 -2.50 0.00 0.00 54.97 51.42 2jmc s GLU 63 Cb -0.12 -2.08 0.11 0.00 0.00 0.00 0.00 34.13 32.04 2jmc s GLU 63 CO -0.05 0.55 0.22 -1.12 0.02 0.00 0.00 175.26 174.87 2jmc s SER 64 N -0.97 5.27 -0.02 -1.70 0.01 -1.26 -2.25 113.70 112.78 2jmc s SER 64 Ca 0.11 -2.05 -0.02 0.00 1.31 0.00 0.00 55.95 55.31 2jmc s SER 64 Cb -0.10 -1.84 0.01 0.00 0.21 0.00 0.00 66.02 64.30 2jmc s SER 64 CO 0.01 -0.55 0.03 0.61 0.41 0.00 0.00 173.24 173.76 2jmc n GLY 65 N 4.57 -3.73 2.79 3.44 0.00 0.17 -4.73 105.19 107.71 2jmc n GLY 65 Ca -0.02 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 0.56 0.41 -4.36 1.61 5.75 -1.10 -4.88 116.55 114.54 2jmc n ASP 66 Ca -0.05 0.34 -0.24 0.00 -0.01 0.00 0.00 54.79 54.82 2jmc n ASP 66 Cb 0.08 -0.75 -0.12 0.00 -1.03 0.00 0.00 41.12 39.31 2jmc n ASP 66 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2jmc s ASN 67 N 6.30 2.93 0.27 -1.12 2.47 -1.26 -4.95 114.94 119.59 2jmc s ASN 67 Ca 1.06 -0.83 -0.29 0.00 0.42 0.00 0.00 52.86 53.22 2jmc s ASN 67 Cb -1.13 -0.19 -0.09 0.00 -1.45 0.00 0.00 41.25 38.39 2jmc s ASN 67 CO 0.47 0.04 1.05 0.00 -3.72 0.00 0.00 177.10 174.93 2jmc s ALA 68 N -1.73 3.37 -1.10 1.71 0.00 -1.26 -4.14 121.76 118.61 2jmc s ALA 68 Ca 0.16 0.80 -0.23 0.00 0.00 0.00 0.00 51.96 52.68 2jmc s ALA 68 Cb -0.07 -3.29 -0.07 0.00 0.00 0.00 0.00 23.12 19.69 2jmc s ALA 68 CO 0.07 -0.04 1.94 -1.25 0.00 0.00 0.00 175.76 176.48 2jmc s PRO 69 N -1.41 2.52 0.00 0.00 0.04 -1.26 -4.68 135.00 130.21 2jmc s PRO 69 Ca 0.44 -0.92 0.27 0.00 0.04 0.00 0.00 61.00 60.83 2jmc s PRO 69 Cb -0.30 -5.19 0.83 0.00 0.04 0.00 0.00 34.50 29.88 2jmc s PRO 69 CO 0.37 -3.80 1.61 0.45 0.04 0.00 0.00 177.00 175.68 2jmc n SER 70 N 14.23 1.11 -4.25 6.66 2.88 -1.26 -4.91 113.62 128.08 2jmc n SER 70 Ca 0.43 -1.01 -0.19 0.00 -1.33 0.00 0.00 58.87 56.78 2jmc n SER 70 Cb 0.47 0.10 -0.10 0.00 -0.75 0.00 0.00 64.21 63.93 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 -2.40 1.68 0.64 0.66 -0.85 -1.26 -5.15 117.35 110.68 2jmc s TYR 71 Ca 0.27 -1.18 -0.15 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 41.51 2jmc s TYR 71 CO 0.48 -0.29 1.09 -1.12 -1.52 0.00 0.00 175.55 174.19 2jmc s SER 72 N -3.40 5.32 0.50 -0.18 0.01 -1.26 -5.01 113.70 109.68 2jmc s SER 72 Ca 0.35 1.91 -0.21 0.00 1.31 0.00 0.00 55.95 59.32 2jmc s SER 72 Cb 0.07 -2.54 -0.07 0.00 0.21 0.00 0.00 66.02 63.69 2jmc s SER 72 CO 0.15 -1.49 1.15 -2.16 0.41 0.00 0.00 173.24 171.30 2jmc s PRO 73 N -4.17 3.56 0.62 12.44 0.04 -1.26 -5.02 135.00 141.22 2jmc s PRO 73 Ca 0.65 1.69 -0.16 0.00 0.04 0.00 0.00 61.00 63.22 2jmc s PRO 73 Cb -0.19 -2.20 -0.02 0.00 0.04 0.00 0.00 34.50 32.13 2jmc s PRO 73 CO 0.41 -0.70 1.12 -1.25 0.04 0.00 0.00 177.00 176.62 2jmc s PRO 74 N -3.00 2.98 0.04 0.56 0.04 -1.26 -4.98 135.00 129.39 2jmc s PRO 74 Ca 0.68 1.46 -0.31 0.00 0.04 0.00 0.00 61.00 62.87 2jmc s PRO 74 Cb -0.26 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.25 2jmc s PRO 74 CO 0.31 -1.12 1.42 -1.25 0.04 0.00 0.00 177.00 176.40 2jmc s PRO 75 N -3.84 4.29 1.01 0.56 0.04 -1.26 -4.98 135.00 130.82 2jmc s PRO 75 Ca 0.69 2.03 -0.13 0.00 0.04 0.00 0.00 61.00 63.63 2jmc s PRO 75 Cb -0.21 -3.48 0.20 0.00 0.04 0.00 0.00 34.50 31.04 2jmc s PRO 75 CO 0.37 -0.54 1.09 -1.25 0.04 0.00 0.00 177.00 176.71 2jmc s PRO 76 N 2.03 0.30 0.00 0.56 0.04 -1.26 -5.15 135.00 131.52 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 0.94 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