#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 -0.34 0.07 4.61 0.00 -1.26 -5.16 121.76 119.68 2jmc s ALA 2 Ca 0.00 0.69 0.07 0.00 0.00 0.00 0.00 51.96 52.72 2jmc s ALA 2 Cb 0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 2jmc s ALA 2 CO 0.00 -0.15 -0.19 -1.64 0.00 0.00 0.00 175.76 173.78 2jmc s MET 3 N 0.97 1.11 1.12 0.00 1.00 -1.26 -5.14 119.30 117.11 2jmc s MET 3 Ca -0.07 -1.01 -0.18 0.00 0.00 0.00 0.00 55.69 54.43 2jmc s MET 3 Cb -0.09 -1.26 0.15 0.00 0.00 0.00 0.00 34.83 33.62 2jmc s MET 3 CO -0.05 0.30 0.15 0.41 0.00 0.00 0.00 175.02 175.83 2jmc n GLY 4 N 1.43 -2.60 0.20 -0.03 0.00 -1.26 -4.87 105.19 98.06 2jmc n GLY 4 Ca -0.19 -0.86 0.07 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.37 0.00 -4.13 1.61 0.13 -1.99 -3.39 132.00 121.86 2jmc h PRO 5 Ca -0.45 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.05 2jmc h PRO 5 Cb 1.19 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.92 2jmc h PRO 5 CO 0.31 0.32 -0.73 1.03 -0.23 0.00 0.00 178.00 178.70 2jmc s ARG 6 N -3.84 1.23 -0.30 0.86 0.52 -1.26 -4.94 118.95 111.21 2jmc s ARG 6 Ca -0.01 -1.65 0.02 0.00 -0.52 0.00 0.00 55.73 53.57 2jmc s ARG 6 Cb 0.12 -2.74 0.09 0.00 0.52 0.00 0.00 34.95 32.94 2jmc s ARG 6 CO 0.67 -0.98 0.03 -1.21 0.02 0.00 0.00 175.30 173.84 2jmc s GLU 7 N 1.05 1.33 -0.14 3.54 2.02 -1.26 0.02 118.70 125.25 2jmc s GLU 7 Ca 0.11 -1.42 -0.13 0.00 0.02 0.00 0.00 54.97 53.55 2jmc s GLU 7 Cb -0.19 -2.70 -0.05 0.00 0.10 0.00 0.00 34.13 31.29 2jmc s GLU 7 CO -0.13 -0.86 0.29 0.54 0.02 0.00 0.00 175.26 175.12 2jmc s VAL 8 N 1.23 5.30 -0.13 2.63 0.11 -1.07 -4.81 120.40 123.66 2jmc s VAL 8 Ca 0.06 0.54 0.00 0.00 -2.93 0.00 0.00 61.98 59.65 2jmc s VAL 8 Cb -0.19 -3.62 0.02 0.00 -1.53 0.00 0.00 36.38 31.07 2jmc s VAL 8 CO -0.12 0.43 -0.11 0.42 -3.33 0.00 0.00 175.10 172.38 2jmc s THR 9 N 0.20 1.34 0.21 5.04 -4.23 -1.26 0.32 115.64 117.26 2jmc s THR 9 Ca 0.17 -0.49 -0.20 0.00 -1.18 0.00 0.00 61.69 59.98 2jmc s THR 9 Cb -0.13 -1.29 -0.08 0.00 1.34 0.00 0.00 72.50 72.34 2jmc s THR 9 CO 0.05 0.42 0.72 -0.04 -0.54 0.00 0.00 174.62 175.23 2jmc s MET 10 N 1.56 4.29 -0.02 3.99 -1.94 -0.54 -4.90 119.30 121.74 2jmc s MET 10 Ca 0.04 0.90 0.05 0.00 -1.71 0.00 0.00 55.69 54.98 2jmc s MET 10 Cb -0.13 -2.95 -0.01 0.00 2.01 0.00 0.00 34.83 33.75 2jmc s MET 10 CO -0.09 0.43 -0.16 0.21 -0.01 0.00 0.00 175.02 175.40 2jmc s LYS 11 N -1.81 1.40 -0.26 2.03 2.20 -1.26 -1.10 119.74 120.95 2jmc s LYS 11 Ca 0.41 -0.59 -0.34 0.00 -0.36 0.00 0.00 55.97 55.10 2jmc s LYS 11 Cb -0.18 -1.33 -0.10 0.00 -1.51 0.00 0.00 37.83 34.71 2jmc s LYS 11 CO 0.22 0.33 2.11 1.17 -0.36 0.00 0.00 175.35 178.82 2jmc n LYS 12 N 2.76 1.50 -0.97 4.03 4.81 -1.25 -1.80 118.16 127.24 2jmc n LYS 12 Ca -0.15 0.45 0.00 0.00 -0.87 0.00 0.00 58.31 57.74 2jmc n LYS 12 Cb 0.54 -2.65 0.00 0.00 0.02 0.00 0.00 35.03 32.94 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 5.82 0.99 3.10 3.14 0.00 -0.22 -5.02 105.19 113.00 2jmc n GLY 13 Ca 0.34 -0.26 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.39 1.45 -0.38 1.61 2.15 -0.75 -4.94 116.67 113.44 2jmc s ASP 14 Ca 0.00 -0.37 -0.14 0.00 0.43 0.00 0.00 52.55 52.47 2jmc s ASP 14 Cb 0.00 -0.11 0.00 0.00 -0.30 0.00 0.00 42.92 42.51 2jmc s ASP 14 CO 0.00 0.05 0.28 -0.63 -0.17 0.00 0.00 175.17 174.70 2jmc s ILE 15 N -0.68 5.26 -0.10 4.11 1.01 -1.26 -0.54 121.20 129.01 2jmc s ILE 15 Ca 0.02 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.28 2jmc s ILE 15 Cb -0.07 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.55 2jmc s ILE 15 CO 0.01 -0.17 -0.15 -0.76 0.00 0.00 0.00 174.94 173.86 2jmc s LEU 16 N 1.74 2.61 0.10 2.97 1.02 -0.88 -4.94 118.68 121.29 2jmc s LEU 16 Ca 0.06 -0.32 -0.36 0.00 0.02 0.00 0.00 54.13 53.53 2jmc s LEU 16 Cb -0.18 -1.55 -0.17 0.00 0.02 0.00 0.00 46.19 44.31 2jmc s LEU 16 CO 0.10 0.23 1.23 0.41 0.02 0.00 0.00 176.35 178.34 2jmc n THR 17 N 3.10 0.32 -1.04 5.49 -1.04 -1.04 -1.85 114.28 118.23 2jmc n THR 17 Ca -0.18 -0.08 -0.33 0.00 -2.04 0.00 0.00 64.05 61.42 2jmc n THR 17 Cb 0.52 -0.69 -0.03 0.00 -1.82 0.00 0.00 70.33 68.31 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 2.22 5.25 0.00 -4.42 0.00 0.90 -2.51 117.00 118.43 2jmc n LEU 18 Ca 0.18 -3.17 -0.11 0.00 0.00 0.00 0.00 56.01 52.90 2jmc n LEU 18 Cb 0.19 -1.21 0.11 0.00 0.00 0.00 0.00 43.42 42.52 2jmc n LEU 18 CO 0.62 0.49 0.13 0.18 0.00 0.00 0.00 177.39 178.80 2jmc n LEU 19 N 5.43 0.00 -4.51 -1.96 4.32 0.25 -4.47 117.00 116.06 2jmc n LEU 19 Ca 0.50 -0.32 -0.38 0.00 -0.02 0.00 0.00 56.01 55.79 2jmc n LEU 19 Cb 0.26 -0.52 -0.14 0.00 -1.62 0.00 0.00 43.42 41.40 2jmc n LEU 19 CO 0.85 -2.08 2.18 -3.20 -1.22 0.00 0.00 177.39 173.92 2jmc n ASN 20 N -1.73 0.46 -1.79 -1.43 5.15 -1.25 -4.37 115.26 110.30 2jmc n ASN 20 Ca 0.05 -0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 54.00 2jmc n ASN 20 Cb 0.22 -1.00 0.27 0.00 -0.53 0.00 0.00 39.78 38.75 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 11.01 4.51 -0.11 1.20 3.41 -1.26 -1.97 113.62 130.41 2jmc n SER 21 Ca 0.62 -2.97 -0.06 0.00 -0.26 0.00 0.00 58.87 56.20 2jmc n SER 21 Cb 0.12 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 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 2.48 0.37 -2.10 6.66 1.03 -1.85 -3.40 112.91 116.11 2jmc h THR 22 Ca 0.18 0.00 -0.58 0.00 -0.01 0.00 0.00 66.41 66.00 2jmc h THR 22 Cb 2.02 0.37 0.01 0.00 -1.07 0.00 0.00 68.15 69.48 2jmc h THR 22 CO 0.59 0.00 1.22 0.59 -0.01 0.00 0.00 175.52 177.91 2jmc n ASN 23 N -5.39 3.65 0.20 0.00 4.13 -1.22 -4.85 115.26 111.79 2jmc n ASN 23 Ca 0.02 0.82 0.05 0.00 1.68 0.00 0.00 54.58 57.15 2jmc n ASN 23 Cb 0.30 -1.45 0.41 0.00 -1.54 0.00 0.00 39.78 37.50 2jmc n ASN 23 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 2jmc h LYS 24 N 10.67 0.00 -0.02 3.52 1.57 -2.00 -2.49 116.57 127.82 2jmc h LYS 24 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2jmc h LYS 24 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 2jmc h LYS 24 CO 0.95 0.34 -0.07 -0.25 -0.57 0.00 0.00 179.45 179.85 2jmc n ASP 25 N -3.77 2.51 -3.66 0.86 8.00 -1.26 -4.85 116.55 114.38 2jmc n ASP 25 Ca -0.01 -1.80 -0.07 0.00 0.71 0.00 0.00 54.79 53.62 2jmc n ASP 25 Cb 0.43 0.07 -0.08 0.00 -0.02 0.00 0.00 41.12 41.51 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 -0.96 -0.31 1.24 0.52 -0.94 -4.15 118.94 112.27 2jmc s TRP 26 Ca 0.29 1.82 -0.05 0.00 0.02 0.00 0.00 56.10 58.17 2jmc s TRP 26 Cb 0.20 0.50 0.03 0.00 -1.15 0.00 0.00 33.47 33.05 2jmc s TRP 26 CO 0.35 -0.51 0.07 -1.58 0.02 0.00 0.00 176.95 175.30 2jmc s TRP 27 N 2.18 3.20 0.25 -1.98 0.52 0.32 -3.37 118.94 120.07 2jmc s TRP 27 Ca -0.07 -1.37 -0.30 0.00 0.02 0.00 0.00 56.10 54.39 2jmc s TRP 27 Cb -0.10 -2.22 -0.10 0.00 -1.15 0.00 0.00 33.47 29.90 2jmc s TRP 27 CO -0.16 -0.70 1.46 0.21 0.02 0.00 0.00 176.95 177.78 2jmc s LYS 28 N 1.40 4.25 -0.08 4.98 2.20 -0.83 -3.20 119.74 128.47 2jmc s LYS 28 Ca -0.01 2.33 -0.07 0.00 -0.36 0.00 0.00 55.97 57.87 2jmc s LYS 28 Cb -0.19 -3.10 0.02 0.00 -1.51 0.00 0.00 37.83 33.06 2jmc s LYS 28 CO 0.01 -0.45 0.20 0.14 -0.36 0.00 0.00 175.35 174.90 2jmc s VAL 29 N 0.01 -0.00 0.21 4.02 -7.23 -1.06 -0.58 120.40 115.76 2jmc s VAL 29 Ca 0.60 0.01 0.05 0.00 -1.81 0.00 0.00 61.98 60.83 2jmc s VAL 29 Cb -0.43 -0.29 -0.03 0.00 0.56 0.00 0.00 36.38 36.19 2jmc s VAL 29 CO 0.44 0.00 0.28 -0.70 -0.31 0.00 0.00 175.10 174.81 2jmc s GLU 30 N 0.18 3.28 0.00 4.82 2.12 -1.04 -3.34 118.70 124.71 2jmc s GLU 30 Ca -0.01 -0.78 0.00 0.00 0.36 0.00 0.00 54.97 54.54 2jmc s GLU 30 Cb -0.02 -2.82 0.00 0.00 0.26 0.00 0.00 34.13 31.55 2jmc s GLU 30 CO -0.00 0.46 0.00 1.33 -0.54 0.00 0.00 175.26 176.50 2jmc n VAL 31 N -1.00 0.00 -0.22 3.70 0.24 -0.71 -2.50 118.33 117.85 2jmc n VAL 31 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 2jmc n VAL 31 Cb 0.56 -0.35 0.00 0.00 -1.47 0.00 0.00 33.84 32.58 2jmc n VAL 31 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2jmc n ASN 32 N -0.06 0.22 0.00 -1.34 3.02 -1.26 -4.82 115.26 111.02 2jmc n ASN 32 Ca 0.00 -0.58 0.00 0.00 -0.03 0.00 0.00 54.58 53.97 2jmc n ASN 32 Cb 0.00 0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.45 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 -0.28 0.00 -4.88 6.41 -0.08 -1.26 -5.14 116.55 111.32 2jmc n ASP 33 Ca 0.00 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 52.96 2jmc n ASP 33 Cb 0.05 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.46 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 -0.50 3.33 0.01 -0.67 0.52 -1.26 -5.03 118.95 115.35 2jmc s ARG 34 Ca 0.00 -0.42 -0.07 0.00 -0.52 0.00 0.00 55.73 54.72 2jmc s ARG 34 Cb 0.00 -3.01 -0.00 0.00 0.52 0.00 0.00 34.95 32.46 2jmc s ARG 34 CO 0.00 0.64 0.13 1.14 0.02 0.00 0.00 175.30 177.23 2jmc s GLN 35 N -2.14 0.51 0.16 3.54 -2.07 -1.26 -1.73 119.66 116.67 2jmc s GLN 35 Ca 0.29 -0.49 -0.24 0.00 -1.82 0.00 0.00 55.36 53.10 2jmc s GLN 35 Cb -0.13 0.21 0.07 0.00 -1.09 0.00 0.00 33.01 32.07 2jmc s GLN 35 CO 0.21 -0.12 1.00 0.20 -1.32 0.00 0.00 175.29 175.26 2jmc s GLY 36 N -1.58 -0.12 -0.14 2.60 0.00 -1.21 -3.94 107.32 102.92 2jmc s GLY 36 Ca -0.12 -0.00 -0.28 0.00 0.00 0.00 0.00 44.72 44.31 2jmc s GLY 36 CO -0.00 0.71 0.95 -1.36 0.00 0.00 0.00 173.10 173.41 2jmc s PHE 37 N -2.87 3.46 0.16 1.90 0.40 -1.26 -2.56 117.98 117.21 2jmc s PHE 37 Ca 0.15 1.47 0.07 0.00 -0.60 0.00 0.00 56.93 58.03 2jmc s PHE 37 Cb -0.01 -3.14 -0.04 0.00 0.51 0.00 0.00 43.02 40.33 2jmc s PHE 37 CO 0.03 -0.26 -0.15 0.14 0.70 0.00 0.00 175.22 175.68 2jmc s VAL 38 N 2.18 1.58 -0.09 -0.44 -7.23 -1.19 -4.90 120.40 110.31 2jmc s VAL 38 Ca 0.45 -1.96 -0.30 0.00 -1.81 0.00 0.00 61.98 58.36 2jmc s VAL 38 Cb -0.17 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 34.92 2jmc s VAL 38 CO 0.15 -0.47 1.52 -2.16 -0.31 0.00 0.00 175.10 173.82 2jmc s PRO 39 N -3.11 4.19 0.52 4.82 0.04 -1.26 0.12 135.00 140.33 2jmc s PRO 39 Ca 0.16 2.01 0.23 0.00 0.04 0.00 0.00 61.00 63.43 2jmc s PRO 39 Cb -0.03 -3.91 1.26 0.00 0.04 0.00 0.00 34.50 31.86 2jmc s PRO 39 CO 0.05 -0.80 1.67 0.00 0.04 0.00 0.00 177.00 177.96 2jmc h ALA 40 N 9.10 1.27 0.00 8.56 0.00 -1.87 0.30 119.26 136.62 2jmc h ALA 40 Ca -0.35 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 2jmc h ALA 40 Cb 1.15 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2jmc h ALA 40 CO 0.96 -0.27 -0.35 0.00 0.00 0.00 0.00 179.25 179.59 2jmc h ALA 41 N 1.32 1.19 -0.00 0.00 0.00 -1.89 -2.43 119.26 117.44 2jmc h ALA 41 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2jmc h ALA 41 Cb 0.61 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2jmc h ALA 41 CO 0.00 0.44 -0.36 0.66 0.00 0.00 0.00 179.25 179.99 2jmc n TYR 42 N -3.79 0.00 -4.48 0.00 4.02 0.11 -4.75 117.16 108.27 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 0.43 -0.26 -0.08 0.00 -0.02 0.00 0.00 39.34 39.42 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 -2.88 0.44 -0.29 -0.72 -7.23 -0.91 0.17 120.40 108.98 2jmc s VAL 43 Ca 0.15 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.07 2jmc s VAL 43 Cb 0.18 -2.33 0.16 0.00 0.56 0.00 0.00 36.38 34.95 2jmc s VAL 43 CO 0.63 0.00 1.23 -0.75 -0.31 0.00 0.00 175.10 175.90 2jmc s LYS 44 N -3.63 0.29 0.56 4.82 2.36 -0.65 -4.76 119.74 118.72 2jmc s LYS 44 Ca 0.25 0.35 -0.21 0.00 -2.55 0.00 0.00 55.97 53.81 2jmc s LYS 44 Cb 0.02 0.14 -0.04 0.00 -1.05 0.00 0.00 37.83 36.89 2jmc s LYS 44 CO 0.17 -0.04 1.34 0.15 1.55 0.00 0.00 175.35 178.52 2jmc s LYS 45 N 0.17 3.06 0.39 4.03 1.02 -1.26 -1.48 119.74 125.67 2jmc s LYS 45 Ca 0.05 2.18 0.03 0.00 0.02 0.00 0.00 55.97 58.25 2jmc s LYS 45 Cb -0.05 -2.18 0.03 0.00 -0.52 0.00 0.00 37.83 35.11 2jmc s LYS 45 CO -0.11 -1.24 0.24 1.28 -0.92 0.00 0.00 175.35 174.60 2jmc n LEU 46 N -1.17 0.00 -4.00 3.17 4.77 -1.20 -4.82 117.00 113.75 2jmc n LEU 46 Ca 0.11 -2.10 -0.31 0.00 -0.03 0.00 0.00 56.01 53.69 2jmc n LEU 46 Cb 0.46 0.03 -0.15 0.00 -2.33 0.00 0.00 43.42 41.42 2jmc n LEU 46 CO 0.51 -0.46 -0.37 -1.81 -1.33 0.00 0.00 177.39 173.93 2jmc s ASP 47 N -3.25 4.53 -0.18 -1.43 1.01 -1.26 -4.95 116.67 111.14 2jmc s ASP 47 Ca 0.18 -1.82 -0.15 0.00 0.71 0.00 0.00 52.55 51.46 2jmc s ASP 47 Cb -0.01 -1.49 -0.06 0.00 1.01 0.00 0.00 42.92 42.36 2jmc s ASP 47 CO 0.11 -0.32 -0.29 -1.54 0.21 0.00 0.00 175.17 173.35 2jmc n SER 48 N 4.39 1.90 0.00 0.27 3.41 -1.26 -5.07 113.62 117.26 2jmc n SER 48 Ca -0.03 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 2jmc n SER 48 Cb 0.42 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 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 1.49 2.81 0.27 5.00 0.00 -1.26 -4.94 105.19 108.56 2jmc n GLY 49 Ca -0.15 -0.62 -0.06 0.00 0.00 0.00 0.00 46.02 45.20 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 0.36 0.00 2.61 1.03 -2.04 -3.45 112.91 111.41 2jmc h THR 50 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 2jmc h THR 50 Cb 0.00 0.36 0.00 0.00 -1.07 0.00 0.00 68.15 67.44 2jmc h THR 50 CO 0.00 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.12 2jmc n GLY 51 N -1.39 0.56 3.90 2.99 0.00 -1.26 -5.16 105.19 104.83 2jmc n GLY 51 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 3.13 -0.78 1.61 1.02 -1.26 -5.04 119.74 118.42 2jmc s LYS 52 Ca 0.00 0.24 -0.07 0.00 0.02 0.00 0.00 55.97 56.16 2jmc s LYS 52 Cb 0.00 -2.21 0.20 0.00 -0.52 0.00 0.00 37.83 35.30 2jmc s LYS 52 CO 0.00 -0.65 0.66 -1.21 -0.92 0.00 0.00 175.35 173.23 2jmc s GLU 53 N -5.05 3.16 0.16 1.68 8.01 -1.26 -4.94 118.70 120.46 2jmc s GLU 53 Ca 0.54 -2.72 0.10 0.00 0.01 0.00 0.00 54.97 52.89 2jmc s GLU 53 Cb -0.11 -4.06 -0.04 0.00 -4.31 0.00 0.00 34.13 25.62 2jmc s GLU 53 CO 0.48 -1.23 -0.21 -0.48 0.01 0.00 0.00 175.26 173.82 2jmc s LEU 54 N -0.36 2.40 -0.12 1.80 0.05 -1.26 -0.07 118.68 121.12 2jmc s LEU 54 Ca 0.20 -0.83 -0.04 0.00 0.05 0.00 0.00 54.13 53.52 2jmc s LEU 54 Cb -0.14 -0.97 0.06 0.00 -2.05 0.00 0.00 46.19 43.09 2jmc s LEU 54 CO -0.07 0.05 0.20 0.68 -0.55 0.00 0.00 176.35 176.65 2jmc s VAL 55 N -1.71 -0.31 0.61 1.48 -7.23 -0.77 -3.21 120.40 109.27 2jmc s VAL 55 Ca 0.16 0.22 -0.16 0.00 -1.81 0.00 0.00 61.98 60.39 2jmc s VAL 55 Cb -0.07 -0.42 -0.03 0.00 0.56 0.00 0.00 36.38 36.42 2jmc s VAL 55 CO 0.07 0.05 1.08 -0.22 -0.31 0.00 0.00 175.10 175.78 2jmc s LEU 56 N 2.33 3.49 -0.41 1.32 0.20 -0.55 -2.08 118.68 122.98 2jmc s LEU 56 Ca 0.03 1.92 -0.17 0.00 0.69 0.00 0.00 54.13 56.60 2jmc s LEU 56 Cb -0.13 -4.54 0.02 0.00 -0.43 0.00 0.00 46.19 41.10 2jmc s LEU 56 CO -0.08 -1.33 0.42 0.00 -0.29 0.00 0.00 176.35 175.08 2jmc s ALA 57 N -2.34 3.44 0.14 5.97 0.00 0.30 -1.64 121.76 127.62 2jmc s ALA 57 Ca 0.66 -1.47 -0.05 0.00 0.00 0.00 0.00 51.96 51.10 2jmc s ALA 57 Cb -0.18 -3.02 -0.06 0.00 0.00 0.00 0.00 23.12 19.86 2jmc s ALA 57 CO 0.37 -1.51 1.34 -0.07 0.00 0.00 0.00 175.76 175.89 2jmc h LEU 58 N 9.00 0.57 -8.95 0.00 3.38 0.15 -0.57 115.31 118.88 2jmc h LEU 58 Ca -0.27 -0.42 -0.41 0.00 0.09 0.00 0.00 57.88 56.87 2jmc h LEU 58 Cb 1.12 -0.17 -0.14 0.00 0.09 0.00 0.00 40.66 41.55 2jmc h LEU 58 CO 0.78 1.20 -0.66 -0.31 0.09 0.00 0.00 178.44 179.54 2jmc s TYR 59 N -3.41 1.67 -0.38 1.13 2.02 -0.58 -4.67 117.35 113.13 2jmc s TYR 59 Ca -0.06 -0.85 -0.24 0.00 -0.37 0.00 0.00 57.07 55.55 2jmc s TYR 59 Cb 0.09 -0.96 0.01 0.00 -0.40 0.00 0.00 41.96 40.71 2jmc s TYR 59 CO 0.86 0.06 0.83 -0.51 -1.57 0.00 0.00 175.55 175.22 2jmc s ASP 60 N -3.34 6.57 0.37 2.29 1.11 -1.26 -4.14 116.67 118.27 2jmc s ASP 60 Ca 0.28 0.36 0.08 0.00 0.18 0.00 0.00 52.55 53.46 2jmc s ASP 60 Cb 0.05 -2.42 -0.06 0.00 1.07 0.00 0.00 42.92 41.57 2jmc s ASP 60 CO 0.09 -0.80 0.07 -0.47 1.18 0.00 0.00 175.17 175.24 2jmc s TYR 61 N 3.25 2.57 -0.14 4.23 6.14 -0.25 -4.94 117.35 128.20 2jmc s TYR 61 Ca 0.33 -0.51 -0.04 0.00 0.64 0.00 0.00 57.07 57.49 2jmc s TYR 61 Cb -0.13 -1.67 0.07 0.00 0.42 0.00 0.00 41.96 40.65 2jmc s TYR 61 CO 0.18 0.38 0.24 -1.14 0.64 0.00 0.00 175.55 175.85 2jmc s GLN 62 N -3.78 0.14 -0.15 4.97 2.00 -1.26 -1.47 119.66 120.11 2jmc s GLN 62 Ca 0.37 0.56 -0.04 0.00 -2.00 0.00 0.00 55.36 54.25 2jmc s GLN 62 Cb 0.02 -0.40 -0.03 0.00 0.80 0.00 0.00 33.01 33.40 2jmc s GLN 62 CO 0.20 -0.40 -0.02 -2.00 -0.50 0.00 0.00 175.29 172.57 2jmc s GLU 63 N 2.38 3.61 -0.62 1.67 -6.30 0.15 -4.99 118.70 114.59 2jmc s GLU 63 Ca 0.03 -0.48 -0.05 0.00 -2.50 0.00 0.00 54.97 51.97 2jmc s GLU 63 Cb -0.13 -2.93 0.16 0.00 0.00 0.00 0.00 34.13 31.23 2jmc s GLU 63 CO -0.09 0.31 0.46 -1.54 0.02 0.00 0.00 175.26 174.42 2jmc s SER 64 N 0.18 5.51 -0.01 -1.70 1.04 -1.26 -2.58 113.70 114.87 2jmc s SER 64 Ca -0.01 -2.66 -0.01 0.00 0.48 0.00 0.00 55.95 53.75 2jmc s SER 64 Cb -0.13 -1.92 0.00 0.00 0.10 0.00 0.00 66.02 64.07 2jmc s SER 64 CO 0.02 -0.45 0.02 0.61 0.98 0.00 0.00 173.24 174.43 2jmc n GLY 65 N 3.80 -3.17 2.77 7.32 0.00 0.10 -4.76 105.19 111.25 2jmc n GLY 65 Ca 0.06 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 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 0.19 0.39 -4.36 1.61 2.03 -1.04 -4.88 116.55 110.48 2jmc n ASP 66 Ca -0.03 0.32 -0.23 0.00 0.52 0.00 0.00 54.79 55.36 2jmc n ASP 66 Cb 0.05 -0.74 -0.11 0.00 -0.72 0.00 0.00 41.12 39.59 2jmc n ASP 66 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2jmc s ASN 67 N 6.32 2.93 0.22 1.67 3.04 -1.26 -4.94 114.94 122.92 2jmc s ASN 67 Ca 1.05 -0.87 -0.30 0.00 0.04 0.00 0.00 52.86 52.79 2jmc s ASN 67 Cb -1.11 -0.19 -0.09 0.00 -1.54 0.00 0.00 41.25 38.32 2jmc s ASN 67 CO 0.46 0.01 1.15 0.00 -3.04 0.00 0.00 177.10 175.68 2jmc s ALA 68 N -1.96 3.42 -1.19 1.71 0.00 -1.26 -4.20 121.76 118.28 2jmc s ALA 68 Ca 0.18 0.93 -0.23 0.00 0.00 0.00 0.00 51.96 52.84 2jmc s ALA 68 Cb -0.06 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.59 2jmc s ALA 68 CO 0.08 -0.29 1.94 -1.25 0.00 0.00 0.00 175.76 176.24 2jmc s PRO 69 N -0.76 2.48 0.00 0.00 0.04 -1.26 -4.65 135.00 130.85 2jmc s PRO 69 Ca 0.49 -1.19 0.28 0.00 0.04 0.00 0.00 61.00 60.62 2jmc s PRO 69 Cb -0.32 -5.25 0.99 0.00 0.04 0.00 0.00 34.50 29.96 2jmc s PRO 69 CO 0.39 -4.01 1.71 0.45 0.04 0.00 0.00 177.00 175.57 2jmc n SER 70 N 14.43 1.13 -4.25 6.66 2.88 -1.26 -4.90 113.62 128.31 2jmc n SER 70 Ca 0.45 -1.13 -0.19 0.00 -1.33 0.00 0.00 58.87 56.66 2jmc n SER 70 Cb 0.47 0.05 -0.10 0.00 -0.75 0.00 0.00 64.21 63.87 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 -2.25 1.68 0.64 0.66 -0.85 -1.26 -5.15 117.35 110.82 2jmc s TYR 71 Ca 0.32 -1.19 -0.14 0.00 -0.52 0.00 0.00 57.07 55.54 2jmc s TYR 71 Cb 0.20 -1.01 -0.01 0.00 0.38 0.00 0.00 41.96 41.52 2jmc s TYR 71 CO 0.43 -0.29 1.07 -1.54 -1.52 0.00 0.00 175.55 173.69 2jmc s SER 72 N -3.40 5.51 0.50 -0.18 1.04 -1.26 -5.02 113.70 110.88 2jmc s SER 72 Ca 0.35 1.79 -0.21 0.00 0.48 0.00 0.00 55.95 58.36 2jmc s SER 72 Cb 0.07 -2.53 -0.07 0.00 0.10 0.00 0.00 66.02 63.60 2jmc s SER 72 CO 0.15 -1.36 1.15 -2.16 0.98 0.00 0.00 173.24 172.00 2jmc s PRO 73 N -4.38 3.58 0.65 4.02 0.04 -1.26 -5.02 135.00 132.63 2jmc s PRO 73 Ca 0.62 1.70 -0.15 0.00 0.04 0.00 0.00 61.00 63.21 2jmc s PRO 73 Cb -0.16 -2.23 -0.00 0.00 0.04 0.00 0.00 34.50 32.15 2jmc s PRO 73 CO 0.43 -0.69 1.11 -1.25 0.04 0.00 0.00 177.00 176.65 2jmc s PRO 74 N -2.96 2.84 0.04 0.56 0.04 -1.26 -4.98 135.00 129.29 2jmc s PRO 74 Ca 0.68 1.41 -0.31 0.00 0.04 0.00 0.00 61.00 62.82 2jmc s PRO 74 Cb -0.26 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.26 2jmc s PRO 74 CO 0.31 -1.22 1.42 -1.25 0.04 0.00 0.00 177.00 176.30 2jmc s PRO 75 N -4.03 4.29 1.01 0.56 0.04 -1.26 -4.98 135.00 130.63 2jmc s PRO 75 Ca 0.67 2.03 -0.12 0.00 0.04 0.00 0.00 61.00 63.62 2jmc s PRO 75 Cb -0.21 -3.48 0.20 0.00 0.04 0.00 0.00 34.50 31.05 2jmc s PRO 75 CO 0.40 -0.55 1.09 -1.25 0.04 0.00 0.00 177.00 176.74 2jmc s PRO 76 N 2.05 0.31 0.00 0.56 0.04 -1.26 -5.15 135.00 131.54 2jmc s PRO 76 Ca 0.65 0.49 0.15 0.00 0.04 0.00 0.00 61.00 62.33 2jmc s PRO 76 Cb -0.34 -1.73 0.92 0.00 0.04 0.00 0.00 34.50 33.40 2jmc s PRO 76 CO 0.28 -2.81 1.34 -0.35 0.04 0.00 0.00 177.00 175.50