#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmc n ALA 2 N 0.00 -4.88 -2.50 4.61 0.00 -1.26 -5.03 120.51 111.46 2jmc n ALA 2 Ca 0.00 -1.33 -0.25 0.00 0.00 0.00 0.00 53.44 51.86 2jmc n ALA 2 Cb 0.00 -1.08 -0.09 0.00 0.00 0.00 0.00 19.45 18.28 2jmc n ALA 2 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2jmc s MET 3 N -2.63 1.86 0.00 0.00 1.00 -1.26 -4.97 119.30 113.29 2jmc s MET 3 Ca 0.44 -2.11 0.00 0.00 0.00 0.00 0.00 55.69 54.01 2jmc s MET 3 Cb 0.01 -0.65 0.00 0.00 0.00 0.00 0.00 34.83 34.19 2jmc s MET 3 CO 0.64 -0.42 0.00 0.41 0.00 0.00 0.00 175.02 175.66 2jmc n GLY 4 N -0.85 4.77 0.17 -0.03 0.00 -1.26 -3.75 105.19 104.23 2jmc n GLY 4 Ca -0.05 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 0.00 0.03 -4.09 1.61 0.13 -1.92 -3.39 132.00 124.37 2jmc h PRO 5 Ca 0.00 -0.02 -0.63 0.00 -0.87 0.00 0.00 66.00 64.49 2jmc h PRO 5 Cb 0.00 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 30.73 2jmc h PRO 5 CO 0.00 0.51 -0.73 1.03 -0.23 0.00 0.00 178.00 178.58 2jmc s ARG 6 N -3.94 1.24 -0.44 0.86 0.52 -1.26 -4.89 118.95 111.04 2jmc s ARG 6 Ca -0.02 -1.67 -0.16 0.00 -0.52 0.00 0.00 55.73 53.36 2jmc s ARG 6 Cb 0.14 -2.74 0.04 0.00 0.52 0.00 0.00 34.95 32.91 2jmc s ARG 6 CO 0.75 -0.98 0.36 -1.83 0.02 0.00 0.00 175.30 173.62 2jmc s GLU 7 N 1.02 2.99 -0.15 3.54 1.03 -1.26 0.23 118.70 126.09 2jmc s GLU 7 Ca 0.11 -1.14 -0.15 0.00 0.03 0.00 0.00 54.97 53.82 2jmc s GLU 7 Cb -0.19 -4.05 -0.04 0.00 -0.80 0.00 0.00 34.13 29.04 2jmc s GLU 7 CO -0.13 -0.89 0.36 0.54 -1.33 0.00 0.00 175.26 173.81 2jmc s VAL 8 N 1.73 5.26 -0.11 1.83 0.11 -0.11 -4.83 120.40 124.29 2jmc s VAL 8 Ca 0.05 0.69 0.01 0.00 -2.93 0.00 0.00 61.98 59.81 2jmc s VAL 8 Cb -0.21 -3.70 0.02 0.00 -1.53 0.00 0.00 36.38 30.96 2jmc s VAL 8 CO 0.09 0.35 -0.13 0.42 -3.33 0.00 0.00 175.10 172.50 2jmc s THR 9 N 0.61 1.36 -0.44 5.04 -4.23 -1.26 0.11 115.64 116.83 2jmc s THR 9 Ca 0.20 -0.55 -0.21 0.00 -1.18 0.00 0.00 61.69 59.95 2jmc s THR 9 Cb -0.14 -1.27 0.02 0.00 1.34 0.00 0.00 72.50 72.45 2jmc s THR 9 CO 0.06 0.42 0.65 -0.04 -0.54 0.00 0.00 174.62 175.17 2jmc s MET 10 N 1.17 3.28 -0.14 3.99 -1.94 -1.06 -4.94 119.30 119.67 2jmc s MET 10 Ca -0.03 -0.37 -0.19 0.00 -1.71 0.00 0.00 55.69 53.39 2jmc s MET 10 Cb -0.14 -3.95 -0.04 0.00 2.01 0.00 0.00 34.83 32.71 2jmc s MET 10 CO -0.04 -1.02 0.54 -1.59 -0.01 0.00 0.00 175.02 172.90 2jmc s LYS 11 N 2.85 4.31 -0.24 2.03 -2.85 -1.26 -1.34 119.74 123.23 2jmc s LYS 11 Ca 0.23 0.53 -0.42 0.00 -1.00 0.00 0.00 55.97 55.31 2jmc s LYS 11 Cb -0.14 -3.48 -0.18 0.00 -2.06 0.00 0.00 37.83 31.97 2jmc s LYS 11 CO 0.19 0.03 1.51 1.17 0.10 0.00 0.00 175.35 178.35 2jmc n LYS 12 N 4.10 0.55 -1.88 1.78 4.81 -1.22 -1.96 118.16 124.34 2jmc n LYS 12 Ca -0.05 0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 2jmc n LYS 12 Cb 0.51 -1.78 0.00 0.00 0.02 0.00 0.00 35.03 33.78 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 3.37 0.87 2.90 3.14 0.00 -0.34 -5.00 105.19 110.11 2jmc n GLY 13 Ca 0.26 -0.50 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.74 0.23 -0.13 1.61 -1.08 -0.83 -4.95 116.67 108.78 2jmc s ASP 14 Ca 0.00 -0.03 -0.17 0.00 -0.52 0.00 0.00 52.55 51.83 2jmc s ASP 14 Cb 0.00 -0.03 -0.04 0.00 -1.46 0.00 0.00 42.92 41.38 2jmc s ASP 14 CO 0.00 0.01 0.44 -0.63 0.52 0.00 0.00 175.17 175.51 2jmc s ILE 15 N 0.03 5.21 -0.03 4.11 1.01 -1.26 -1.06 121.20 129.20 2jmc s ILE 15 Ca 0.00 0.87 0.03 0.00 0.00 0.00 0.00 60.65 61.55 2jmc s ILE 15 Cb -0.02 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.68 2jmc s ILE 15 CO -0.00 0.33 -0.13 -0.76 0.00 0.00 0.00 174.94 174.38 2jmc s LEU 16 N 0.66 1.83 -0.06 2.97 1.02 -0.58 -4.96 118.68 119.56 2jmc s LEU 16 Ca 0.24 -0.26 -0.38 0.00 0.02 0.00 0.00 54.13 53.75 2jmc s LEU 16 Cb -0.15 -0.74 -0.16 0.00 0.02 0.00 0.00 46.19 45.16 2jmc s LEU 16 CO 0.09 0.10 1.55 0.41 0.02 0.00 0.00 176.35 178.52 2jmc n THR 17 N 3.25 0.16 -1.09 5.49 -1.04 -1.08 -1.50 114.28 118.47 2jmc n THR 17 Ca -0.18 -0.03 -0.42 0.00 -2.04 0.00 0.00 64.05 61.38 2jmc n THR 17 Cb 0.54 -1.11 -0.07 0.00 -1.82 0.00 0.00 70.33 67.87 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 3.98 3.29 0.00 -4.42 0.00 0.10 -2.47 117.00 117.48 2jmc n LEU 18 Ca 0.22 -2.60 -0.19 0.00 0.00 0.00 0.00 56.01 53.43 2jmc n LEU 18 Cb 0.18 -1.04 0.18 0.00 0.00 0.00 0.00 43.42 42.75 2jmc n LEU 18 CO 0.70 -0.90 0.21 0.18 0.00 0.00 0.00 177.39 177.59 2jmc n LEU 19 N 8.60 0.00 -4.36 -1.96 4.32 0.58 -4.64 117.00 119.54 2jmc n LEU 19 Ca 0.49 -0.54 -0.53 0.00 -0.02 0.00 0.00 56.01 55.40 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 1.04 -2.36 1.86 -3.20 -1.22 0.00 0.00 177.39 173.51 2jmc n ASN 20 N -4.18 1.00 -1.16 -1.43 5.15 -1.25 -4.35 115.26 109.04 2jmc n ASN 20 Ca 0.09 0.47 0.11 0.00 -0.60 0.00 0.00 54.58 54.65 2jmc n ASN 20 Cb 0.37 -1.01 0.27 0.00 -0.53 0.00 0.00 39.78 38.89 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 8.96 3.41 -0.23 1.20 3.41 -1.26 -1.64 113.62 127.47 2jmc n SER 21 Ca 0.54 -1.98 0.16 0.00 -0.26 0.00 0.00 58.87 57.32 2jmc n SER 21 Cb 0.05 -0.36 0.29 0.00 -0.26 0.00 0.00 64.21 63.94 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 1.39 -0.29 -2.08 6.66 5.66 -1.26 -4.06 114.28 120.30 2jmc n THR 22 Ca 0.21 1.48 -0.43 0.00 -3.05 0.00 0.00 64.05 62.27 2jmc n THR 22 Cb 0.56 -2.27 -0.03 0.00 -1.55 0.00 0.00 70.33 67.05 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 -4.86 6.62 0.23 1.09 -0.87 -1.21 -4.89 114.94 111.05 2jmc s ASN 23 Ca -0.08 2.02 -0.01 0.00 -1.57 0.00 0.00 52.86 53.22 2jmc s ASN 23 Cb 0.22 -2.53 0.24 0.00 -0.02 0.00 0.00 41.25 39.15 2jmc s ASN 23 CO 0.54 -0.99 1.60 0.11 -2.57 0.00 0.00 177.10 175.79 2jmc h LYS 24 N 9.71 0.53 -0.02 -0.60 1.57 -2.00 -2.76 116.57 123.01 2jmc h LYS 24 Ca -0.36 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.15 2jmc h LYS 24 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2jmc h LYS 24 CO 0.97 0.85 -0.05 -0.25 -0.57 0.00 0.00 179.45 180.40 2jmc n ASP 25 N -4.03 1.72 -3.67 0.86 8.00 -1.26 -4.81 116.55 113.36 2jmc n ASP 25 Ca -0.02 -1.51 -0.09 0.00 0.71 0.00 0.00 54.79 53.88 2jmc n ASP 25 Cb 0.51 0.03 -0.10 0.00 -0.02 0.00 0.00 41.12 41.55 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 -0.77 -0.36 1.24 0.52 -1.04 -4.00 118.94 112.46 2jmc s TRP 26 Ca 0.34 1.51 -0.06 0.00 0.02 0.00 0.00 56.10 57.91 2jmc s TRP 26 Cb 0.21 0.33 0.05 0.00 -1.15 0.00 0.00 33.47 32.91 2jmc s TRP 26 CO 0.36 -0.44 0.14 -1.58 0.02 0.00 0.00 176.95 175.45 2jmc s TRP 27 N 2.11 3.30 0.25 -1.98 0.52 0.31 -3.35 118.94 120.09 2jmc s TRP 27 Ca -0.05 -1.56 -0.31 0.00 0.02 0.00 0.00 56.10 54.20 2jmc s TRP 27 Cb -0.10 -2.48 -0.11 0.00 -1.15 0.00 0.00 33.47 29.62 2jmc s TRP 27 CO -0.13 -0.78 1.63 0.21 0.02 0.00 0.00 176.95 177.90 2jmc s LYS 28 N 1.37 4.14 -0.08 4.98 2.20 -0.65 -3.44 119.74 128.26 2jmc s LYS 28 Ca -0.00 2.56 -0.07 0.00 -0.36 0.00 0.00 55.97 58.10 2jmc s LYS 28 Cb -0.20 -3.06 0.02 0.00 -1.51 0.00 0.00 37.83 33.08 2jmc s LYS 28 CO 0.02 -0.66 0.21 0.14 -0.36 0.00 0.00 175.35 174.69 2jmc s VAL 29 N 0.53 -0.00 0.08 4.02 -7.23 -1.02 -0.31 120.40 116.46 2jmc s VAL 29 Ca 0.68 0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.86 2jmc s VAL 29 Cb -0.48 -0.30 -0.04 0.00 0.56 0.00 0.00 36.38 36.12 2jmc s VAL 29 CO 0.40 0.01 0.23 -0.70 -0.31 0.00 0.00 175.10 174.73 2jmc s GLU 30 N 0.20 3.44 0.00 4.82 -6.30 -1.03 -3.49 118.70 116.35 2jmc s GLU 30 Ca -0.01 -0.46 0.00 0.00 -2.50 0.00 0.00 54.97 52.01 2jmc s GLU 30 Cb -0.02 -3.02 0.00 0.00 0.00 0.00 0.00 34.13 31.09 2jmc s GLU 30 CO -0.00 0.59 0.00 1.33 0.02 0.00 0.00 175.26 177.20 2jmc n VAL 31 N 0.15 0.00 0.04 3.70 0.24 -1.18 -2.63 118.33 118.65 2jmc n VAL 31 Ca -0.05 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.27 2jmc n VAL 31 Cb 0.51 -0.31 -0.03 0.00 -1.47 0.00 0.00 33.84 32.55 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 0.00 3.26 0.00 -1.34 5.03 -1.26 -4.87 115.26 116.08 2jmc n ASN 32 Ca 0.00 -0.13 0.00 0.00 0.87 0.00 0.00 54.58 55.32 2jmc n ASN 32 Cb 0.00 1.13 0.00 0.00 -1.02 0.00 0.00 39.78 39.89 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 -1.50 0.00 -4.62 6.41 2.03 -1.26 -5.11 116.55 112.49 2jmc n ASP 33 Ca -0.00 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.91 2jmc n ASP 33 Cb 0.08 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.41 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 -0.46 4.07 -0.00 -0.67 0.52 -1.26 -5.06 118.95 116.09 2jmc s ARG 34 Ca 0.00 0.24 0.07 0.00 -0.52 0.00 0.00 55.73 55.52 2jmc s ARG 34 Cb 0.00 -3.63 -0.02 0.00 0.52 0.00 0.00 34.95 31.82 2jmc s ARG 34 CO 0.00 -0.28 -0.23 1.14 0.02 0.00 0.00 175.30 175.95 2jmc s GLN 35 N 2.08 1.79 0.24 3.54 -2.07 -1.26 -3.13 119.66 120.85 2jmc s GLN 35 Ca 0.19 -0.87 -0.08 0.00 -1.82 0.00 0.00 55.36 52.78 2jmc s GLN 35 Cb -0.16 -1.78 0.03 0.00 -1.09 0.00 0.00 33.01 30.02 2jmc s GLN 35 CO 0.09 0.48 0.46 0.41 -1.32 0.00 0.00 175.29 175.42 2jmc n GLY 36 N 2.33 1.48 3.67 2.60 0.00 -1.23 -3.90 105.19 110.14 2jmc n GLY 36 Ca -0.16 -1.19 -0.40 0.00 0.00 0.00 0.00 46.02 44.27 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 -4.76 3.40 0.18 1.61 0.08 -1.26 -2.45 117.98 114.79 2jmc s PHE 37 Ca 0.10 0.94 0.08 0.00 0.12 0.00 0.00 56.93 58.17 2jmc s PHE 37 Cb -0.03 -2.78 -0.04 0.00 -0.57 0.00 0.00 43.02 39.60 2jmc s PHE 37 CO 0.08 -0.13 -0.16 0.14 -0.10 0.00 0.00 175.22 175.05 2jmc s VAL 38 N 1.75 1.70 -0.15 -0.44 -7.23 -1.22 -4.91 120.40 109.90 2jmc s VAL 38 Ca 0.29 -2.04 -0.29 0.00 -1.81 0.00 0.00 61.98 58.12 2jmc s VAL 38 Cb -0.16 -1.90 -0.03 0.00 0.56 0.00 0.00 36.38 34.85 2jmc s VAL 38 CO 0.11 -0.48 1.55 -2.16 -0.31 0.00 0.00 175.10 173.81 2jmc s PRO 39 N -3.23 4.03 0.52 4.82 0.04 -1.26 0.11 135.00 140.03 2jmc s PRO 39 Ca 0.18 1.86 0.23 0.00 0.04 0.00 0.00 61.00 63.31 2jmc s PRO 39 Cb -0.03 -3.96 1.24 0.00 0.04 0.00 0.00 34.50 31.79 2jmc s PRO 39 CO 0.06 -1.00 1.66 0.00 0.04 0.00 0.00 177.00 177.76 2jmc h ALA 40 N 9.73 1.27 0.00 8.56 0.00 -1.87 0.32 119.26 137.27 2jmc h ALA 40 Ca -0.34 0.00 -0.08 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 0.98 -0.27 -0.36 0.00 0.00 0.00 0.00 179.25 179.60 2jmc h ALA 41 N 1.30 1.18 -0.00 0.00 0.00 -1.89 -2.52 119.26 117.33 2jmc h ALA 41 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2jmc h ALA 41 Cb 0.62 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2jmc h ALA 41 CO 0.00 0.45 -0.51 0.66 0.00 0.00 0.00 179.25 179.85 2jmc n TYR 42 N -3.79 0.00 -4.55 0.00 4.02 0.11 -4.72 117.16 108.23 2jmc n TYR 42 Ca -0.01 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.61 2jmc n TYR 42 Cb 0.44 -0.24 -0.08 0.00 -0.02 0.00 0.00 39.34 39.44 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 0.68 -0.29 -0.72 -7.23 -0.95 0.16 120.40 109.05 2jmc s VAL 43 Ca 0.11 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.09 2jmc s VAL 43 Cb 0.18 -2.33 0.18 0.00 0.56 0.00 0.00 36.38 34.97 2jmc s VAL 43 CO 0.70 0.00 1.21 -0.75 -0.31 0.00 0.00 175.10 175.95 2jmc s LYS 44 N -3.73 0.18 0.77 4.82 2.20 -0.23 -4.74 119.74 119.01 2jmc s LYS 44 Ca 0.21 0.27 -0.15 0.00 -0.36 0.00 0.00 55.97 55.94 2jmc s LYS 44 Cb 0.02 0.06 0.01 0.00 -1.51 0.00 0.00 37.83 36.41 2jmc s LYS 44 CO 0.13 -0.03 0.76 1.63 -0.36 0.00 0.00 175.35 177.48 2jmc n LYS 45 N 2.76 0.24 -4.60 4.03 5.02 -1.26 -0.36 118.16 123.99 2jmc n LYS 45 Ca -0.15 0.14 -0.29 0.00 -2.02 0.00 0.00 58.31 55.99 2jmc n LYS 45 Cb 0.57 -2.06 -0.10 0.00 -0.02 0.00 0.00 35.03 33.42 2jmc n LYS 45 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jmc s LEU 46 N -2.21 2.79 -0.34 -0.35 1.43 -1.11 -4.69 118.68 114.19 2jmc s LEU 46 Ca 0.68 -1.40 0.03 0.00 -1.03 0.00 0.00 54.13 52.41 2jmc s LEU 46 Cb -0.32 -0.91 0.10 0.00 0.03 0.00 0.00 46.19 45.09 2jmc s LEU 46 CO 0.56 -0.54 0.06 -0.62 0.23 0.00 0.00 176.35 176.04 2jmc s ASP 47 N -3.76 4.81 -0.16 2.29 2.15 -1.26 -4.85 116.67 115.90 2jmc s ASP 47 Ca 0.30 -2.07 0.16 0.00 0.43 0.00 0.00 52.55 51.36 2jmc s ASP 47 Cb 0.08 -1.65 0.61 0.00 -0.30 0.00 0.00 42.92 41.66 2jmc s ASP 47 CO 0.16 -0.39 1.53 -0.24 -0.17 0.00 0.00 175.17 176.06 2jmc n SER 48 N 4.31 4.41 -3.96 -0.34 2.88 -1.26 -4.97 113.62 114.70 2jmc n SER 48 Ca 0.02 -2.75 -0.26 0.00 -1.33 0.00 0.00 58.87 54.54 2jmc n SER 48 Cb 0.42 -0.55 -0.07 0.00 -0.75 0.00 0.00 64.21 63.26 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 0.24 -0.16 0.00 0.46 0.00 -1.26 -4.70 105.19 99.77 2jmc n GLY 49 Ca 0.23 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 -3.91 0.00 0.00 2.61 5.66 -1.26 -5.06 114.28 112.33 2jmc n THR 50 Ca -0.24 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.76 2jmc n THR 50 Cb 0.54 -0.01 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 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 1.16 1.78 2.96 1.09 0.00 -1.26 -5.13 105.19 105.79 2jmc n GLY 51 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 2jmc n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jmc n LYS 52 N -0.90 0.18 -3.82 1.61 4.76 -1.26 -5.08 118.16 113.65 2jmc n LYS 52 Ca 0.00 -2.13 -0.29 0.00 -2.87 0.00 0.00 58.31 53.02 2jmc n LYS 52 Cb 0.00 -0.45 -0.13 0.00 -1.84 0.00 0.00 35.03 32.62 2jmc n LYS 52 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2jmc s GLU 53 N -4.37 1.78 0.25 1.97 2.02 -1.26 -5.02 118.70 114.07 2jmc s GLU 53 Ca 0.50 -2.55 0.10 0.00 0.02 0.00 0.00 54.97 53.03 2jmc s GLU 53 Cb -0.03 -2.87 -0.05 0.00 0.10 0.00 0.00 34.13 31.28 2jmc s GLU 53 CO 0.33 -1.19 -0.17 -0.48 0.02 0.00 0.00 175.26 173.77 2jmc s LEU 54 N -0.33 2.58 -0.13 1.80 0.05 -1.26 0.02 118.68 121.40 2jmc s LEU 54 Ca 0.20 -1.04 -0.05 0.00 0.05 0.00 0.00 54.13 53.29 2jmc s LEU 54 Cb -0.18 -0.89 0.07 0.00 -2.05 0.00 0.00 46.19 43.13 2jmc s LEU 54 CO -0.05 -0.08 0.28 0.68 -0.55 0.00 0.00 176.35 176.63 2jmc s VAL 55 N -2.74 -0.40 0.49 1.48 -7.23 -0.56 -2.74 120.40 108.70 2jmc s VAL 55 Ca 0.27 0.26 -0.18 0.00 -1.81 0.00 0.00 61.98 60.52 2jmc s VAL 55 Cb -0.02 -0.46 -0.09 0.00 0.56 0.00 0.00 36.38 36.37 2jmc s VAL 55 CO 0.11 0.11 0.98 -0.22 -0.31 0.00 0.00 175.10 175.77 2jmc s LEU 56 N 2.32 3.72 -0.45 1.32 1.98 0.52 -1.53 118.68 126.56 2jmc s LEU 56 Ca -0.00 1.63 -0.20 0.00 -2.89 0.00 0.00 54.13 52.67 2jmc s LEU 56 Cb -0.12 -4.52 0.03 0.00 0.66 0.00 0.00 46.19 42.24 2jmc s LEU 56 CO -0.09 -0.56 0.59 0.00 -1.89 0.00 0.00 176.35 174.41 2jmc s ALA 57 N -2.46 3.37 0.15 5.97 0.00 -0.23 -1.07 121.76 127.49 2jmc s ALA 57 Ca 0.60 -1.39 -0.02 0.00 0.00 0.00 0.00 51.96 51.16 2jmc s ALA 57 Cb -0.10 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 2jmc s ALA 57 CO 0.26 -1.79 1.36 -0.07 0.00 0.00 0.00 175.76 175.52 2jmc h LEU 58 N 9.56 0.44 0.00 0.00 3.38 0.12 -0.90 115.31 127.90 2jmc h LEU 58 Ca -0.26 -0.33 -0.39 0.00 0.09 0.00 0.00 57.88 56.98 2jmc h LEU 58 Cb 1.10 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.63 2jmc h LEU 58 CO 0.88 1.12 -0.32 -1.22 0.09 0.00 0.00 178.44 178.99 2jmc n TYR 59 N -3.75 0.29 -3.65 1.13 4.01 -0.70 -4.80 117.16 109.70 2jmc n TYR 59 Ca -0.05 -1.74 -0.38 0.00 -0.16 0.00 0.00 57.90 55.57 2jmc n TYR 59 Cb 0.79 -0.07 -0.12 0.00 -0.31 0.00 0.00 39.34 39.64 2jmc n TYR 59 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2jmc s ASP 60 N -2.74 5.63 0.38 7.72 2.15 -1.26 -3.43 116.67 125.13 2jmc s ASP 60 Ca 0.10 -0.23 0.08 0.00 0.43 0.00 0.00 52.55 52.92 2jmc s ASP 60 Cb 0.00 -2.03 -0.07 0.00 -0.30 0.00 0.00 42.92 40.52 2jmc s ASP 60 CO 0.07 -0.10 -0.02 -0.47 -0.17 0.00 0.00 175.17 174.49 2jmc s TYR 61 N 1.68 2.45 -0.15 -5.34 6.14 -0.45 -4.98 117.35 116.69 2jmc s TYR 61 Ca 0.06 -0.64 -0.05 0.00 0.64 0.00 0.00 57.07 57.08 2jmc s TYR 61 Cb -0.16 -1.63 0.07 0.00 0.42 0.00 0.00 41.96 40.67 2jmc s TYR 61 CO 0.07 0.46 0.31 -1.14 0.64 0.00 0.00 175.55 175.90 2jmc s GLN 62 N -3.69 0.20 0.04 4.97 2.00 -1.26 -2.56 119.66 119.37 2jmc s GLN 62 Ca 0.34 0.82 0.09 0.00 -2.00 0.00 0.00 55.36 54.61 2jmc s GLN 62 Cb 0.08 0.04 -0.03 0.00 0.80 0.00 0.00 33.01 33.90 2jmc s GLN 62 CO 0.17 -0.29 -0.26 -2.00 -0.50 0.00 0.00 175.29 172.41 2jmc s GLU 63 N 2.48 1.84 -0.35 1.67 -6.30 0.31 -4.97 118.70 113.37 2jmc s GLU 63 Ca 0.01 -1.09 0.03 0.00 -2.50 0.00 0.00 54.97 51.41 2jmc s GLU 63 Cb -0.12 -2.00 0.10 0.00 0.00 0.00 0.00 34.13 32.11 2jmc s GLU 63 CO -0.10 0.52 0.09 -1.54 0.02 0.00 0.00 175.26 174.24 2jmc s SER 64 N -1.23 4.53 0.09 -1.70 1.04 -1.26 -0.93 113.70 114.24 2jmc s SER 64 Ca 0.12 -2.15 0.00 0.00 0.48 0.00 0.00 55.95 54.40 2jmc s SER 64 Cb -0.10 -1.45 0.00 0.00 0.10 0.00 0.00 66.02 64.57 2jmc s SER 64 CO 0.02 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.48 2jmc n GLY 65 N 4.24 -4.42 2.76 7.32 0.00 0.61 -4.14 105.19 111.56 2jmc n GLY 65 Ca 0.03 -0.53 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 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 0.83 0.40 -4.21 1.61 5.75 -1.17 -4.88 116.55 114.89 2jmc n ASP 66 Ca 0.00 0.33 -0.29 0.00 -0.01 0.00 0.00 54.79 54.82 2jmc n ASP 66 Cb 0.00 -0.74 -0.16 0.00 -1.03 0.00 0.00 41.12 39.19 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 6.22 2.59 0.39 -1.12 0.02 -1.26 -4.99 114.94 116.80 2jmc s ASN 67 Ca 1.05 -0.42 -0.26 0.00 -1.02 0.00 0.00 52.86 52.20 2jmc s ASN 67 Cb -1.11 -0.61 -0.09 0.00 0.02 0.00 0.00 41.25 39.46 2jmc s ASN 67 CO 0.46 0.22 1.30 0.00 0.02 0.00 0.00 177.10 179.10 2jmc s ALA 68 N -0.17 3.30 0.00 0.60 0.00 -1.26 -4.05 121.76 120.18 2jmc s ALA 68 Ca -0.01 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.18 2jmc s ALA 68 Cb -0.12 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.52 2jmc s ALA 68 CO 0.02 -0.79 0.00 -0.35 0.00 0.00 0.00 175.76 174.64 2jmc n PRO 69 N 0.24 0.00 0.00 0.00 -0.04 -1.26 -4.82 135.00 129.12 2jmc n PRO 69 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2jmc n PRO 69 Cb 0.43 -0.23 0.00 0.00 -0.04 0.00 0.00 33.50 33.66 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 -4.81 3.54 2.88 -1.26 -4.89 113.62 109.09 2jmc n SER 70 Ca 0.00 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.29 2jmc n SER 70 Cb 0.00 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.54 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 2.56 0.40 0.66 -0.85 -1.26 -5.05 117.35 113.81 2jmc s TYR 71 Ca 0.00 0.27 -0.24 0.00 -0.52 0.00 0.00 57.07 56.58 2jmc s TYR 71 Cb 0.00 -3.23 -0.09 0.00 0.38 0.00 0.00 41.96 39.03 2jmc s TYR 71 CO 0.00 -1.54 1.06 -1.54 -1.52 0.00 0.00 175.55 172.01 2jmc s SER 72 N -4.58 6.72 0.70 -0.18 1.04 -1.26 -5.00 113.70 111.14 2jmc s SER 72 Ca 0.62 2.07 -0.13 0.00 0.48 0.00 0.00 55.95 58.99 2jmc s SER 72 Cb -0.09 -2.59 0.02 0.00 0.10 0.00 0.00 66.02 63.46 2jmc s SER 72 CO 0.45 -0.52 1.10 -2.16 0.98 0.00 0.00 173.24 173.09 2jmc s PRO 73 N -2.48 2.59 0.53 4.02 0.04 -1.26 -5.01 135.00 133.42 2jmc s PRO 73 Ca 0.58 1.30 -0.20 0.00 0.04 0.00 0.00 61.00 62.71 2jmc s PRO 73 Cb -0.23 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.32 2jmc s PRO 73 CO 0.29 -1.40 1.14 -1.25 0.04 0.00 0.00 177.00 175.81 2jmc s PRO 74 N -4.42 3.44 0.03 0.56 0.04 -1.26 -4.98 135.00 128.41 2jmc s PRO 74 Ca 0.65 1.65 -0.30 0.00 0.04 0.00 0.00 61.00 63.03 2jmc s PRO 74 Cb -0.19 -2.09 -0.06 0.00 0.04 0.00 0.00 34.50 32.20 2jmc s PRO 74 CO 0.47 -0.79 1.43 -1.25 0.04 0.00 0.00 177.00 176.90 2jmc s PRO 75 N -3.16 4.28 1.01 0.56 0.04 -1.26 -4.98 135.00 131.49 2jmc s PRO 75 Ca 0.71 2.02 -0.13 0.00 0.04 0.00 0.00 61.00 63.65 2jmc s PRO 75 Cb -0.25 -3.52 0.20 0.00 0.04 0.00 0.00 34.50 30.97 2jmc s PRO 75 CO 0.28 -0.56 1.09 -1.25 0.04 0.00 0.00 177.00 176.60 2jmc s PRO 76 N 2.18 0.31 0.00 0.56 0.04 -1.26 -5.16 135.00 131.67 2jmc s PRO 76 Ca 0.65 0.47 0.16 0.00 0.04 0.00 0.00 61.00 62.32 2jmc s PRO 76 Cb -0.33 -1.73 0.94 0.00 0.04 0.00 0.00 34.50 33.42 2jmc s PRO 76 CO 0.28 -2.80 1.35 -0.35 0.04 0.00 0.00 177.00 175.52