#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 -1.98 -0.49 4.61 0.00 -1.26 -5.12 121.76 117.52 2jmc s ALA 2 Ca 0.00 1.71 -0.11 0.00 0.00 0.00 0.00 51.96 53.56 2jmc s ALA 2 Cb 0.00 -2.01 0.12 0.00 0.00 0.00 0.00 23.12 21.23 2jmc s ALA 2 CO 0.00 -1.26 0.39 -1.64 0.00 0.00 0.00 175.76 173.25 2jmc s MET 3 N 2.80 2.62 0.05 0.00 1.00 -1.26 -5.03 119.30 119.48 2jmc s MET 3 Ca 0.16 -1.75 0.06 0.00 0.00 0.00 0.00 55.69 54.16 2jmc s MET 3 Cb -0.15 -4.03 -0.03 0.00 0.00 0.00 0.00 34.83 30.61 2jmc s MET 3 CO -0.20 -1.23 -0.13 0.20 0.00 0.00 0.00 175.02 173.66 2jmc s GLY 4 N 2.94 1.68 0.00 -0.03 0.00 -1.26 -5.00 107.32 105.65 2jmc s GLY 4 Ca 0.05 -1.16 0.11 0.00 0.00 0.00 0.00 44.72 43.72 2jmc s GLY 4 CO 0.00 -1.07 1.10 -1.55 0.00 0.00 0.00 173.10 171.58 2jmc n PRO 5 N 1.33 0.49 -1.54 2.90 -0.04 -1.26 -4.39 135.00 132.48 2jmc n PRO 5 Ca -0.15 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.96 2jmc n PRO 5 Cb 0.52 -1.36 -0.05 0.00 -0.04 0.00 0.00 33.50 32.57 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 -0.86 0.84 -4.11 0.54 1.74 -1.26 -4.71 116.66 108.84 2jmc n ARG 6 Ca 0.08 -0.07 -0.35 0.00 -0.77 0.00 0.00 57.85 56.75 2jmc n ARG 6 Cb 0.04 -3.16 -0.13 0.00 -1.02 0.00 0.00 32.46 28.19 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 8.43 3.47 -0.29 5.56 8.01 -1.26 -2.07 118.70 140.55 2jmc s GLU 7 Ca 1.04 -0.60 -0.11 0.00 0.01 0.00 0.00 54.97 55.32 2jmc s GLU 7 Cb -0.34 -2.97 -0.04 0.00 -4.31 0.00 0.00 34.13 26.47 2jmc s GLU 7 CO 0.28 -0.05 0.17 0.54 0.01 0.00 0.00 175.26 176.22 2jmc s VAL 8 N 1.12 5.06 -0.18 2.63 0.11 -0.73 -4.67 120.40 123.73 2jmc s VAL 8 Ca 0.02 -0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 2jmc s VAL 8 Cb -0.15 -3.45 0.04 0.00 -1.53 0.00 0.00 36.38 31.30 2jmc s VAL 8 CO -0.00 0.20 -0.08 0.42 -3.33 0.00 0.00 175.10 172.31 2jmc s THR 9 N 1.71 1.39 -0.48 5.04 -4.23 -1.26 -0.02 115.64 117.79 2jmc s THR 9 Ca 0.06 -0.84 -0.29 0.00 -1.18 0.00 0.00 61.69 59.45 2jmc s THR 9 Cb -0.16 -1.52 0.03 0.00 1.34 0.00 0.00 72.50 72.19 2jmc s THR 9 CO 0.09 0.14 1.16 -0.04 -0.54 0.00 0.00 174.62 175.44 2jmc s MET 10 N 1.51 3.70 -0.10 3.99 -1.94 -1.13 -4.87 119.30 120.45 2jmc s MET 10 Ca -0.00 0.58 -0.19 0.00 -1.71 0.00 0.00 55.69 54.36 2jmc s MET 10 Cb -0.16 -3.92 -0.04 0.00 2.01 0.00 0.00 34.83 32.72 2jmc s MET 10 CO -0.08 -1.41 0.53 0.21 -0.01 0.00 0.00 175.02 174.26 2jmc s LYS 11 N 4.52 4.36 -0.44 2.03 2.47 -1.26 -1.19 119.74 130.23 2jmc s LYS 11 Ca 0.49 0.55 -0.42 0.00 -1.56 0.00 0.00 55.97 55.03 2jmc s LYS 11 Cb -0.08 -3.44 -0.17 0.00 -1.46 0.00 0.00 37.83 32.69 2jmc s LYS 11 CO 0.32 0.14 2.07 1.17 0.16 0.00 0.00 175.35 179.21 2jmc n LYS 12 N 3.68 0.37 -0.20 4.03 4.81 -1.24 0.13 118.16 129.74 2jmc n LYS 12 Ca -0.06 0.11 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 2jmc n LYS 12 Cb 0.52 -1.79 0.00 0.00 0.02 0.00 0.00 35.03 33.77 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 6.65 0.90 3.79 3.14 0.00 0.75 -5.01 105.19 115.40 2jmc n GLY 13 Ca 0.47 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.01 5.71 -0.09 1.61 -1.08 0.35 -4.86 116.67 116.30 2jmc s ASP 14 Ca 0.00 0.14 -0.06 0.00 -0.52 0.00 0.00 52.55 52.11 2jmc s ASP 14 Cb 0.00 -1.64 -0.04 0.00 -1.46 0.00 0.00 42.92 39.78 2jmc s ASP 14 CO 0.00 0.25 0.15 -0.63 0.52 0.00 0.00 175.17 175.46 2jmc s ILE 15 N -1.24 5.46 -0.07 4.11 1.01 -1.26 -0.89 121.20 128.32 2jmc s ILE 15 Ca 0.24 0.09 -0.03 0.00 0.00 0.00 0.00 60.65 60.95 2jmc s ILE 15 Cb -0.12 -3.43 0.04 0.00 0.01 0.00 0.00 42.46 38.96 2jmc s ILE 15 CO 0.16 0.53 0.15 -0.76 0.00 0.00 0.00 174.94 175.02 2jmc s LEU 16 N -1.30 0.56 -0.26 2.97 1.02 -1.12 -4.98 118.68 115.57 2jmc s LEU 16 Ca 0.19 0.31 -0.43 0.00 0.02 0.00 0.00 54.13 54.21 2jmc s LEU 16 Cb -0.12 0.34 -0.19 0.00 0.02 0.00 0.00 46.19 46.24 2jmc s LEU 16 CO 0.08 -0.17 1.42 0.41 0.02 0.00 0.00 176.35 178.11 2jmc n THR 17 N 4.43 0.04 -1.10 5.49 -1.04 -1.17 -2.70 114.28 118.23 2jmc n THR 17 Ca -0.22 -0.01 -0.41 0.00 -2.04 0.00 0.00 64.05 61.37 2jmc n THR 17 Cb 0.51 -0.44 -0.08 0.00 -1.82 0.00 0.00 70.33 68.51 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 3.20 3.05 0.00 -4.42 -0.00 0.10 -2.64 117.00 116.30 2jmc n LEU 18 Ca 0.26 -2.54 -0.19 0.00 -0.00 0.00 0.00 56.01 53.53 2jmc n LEU 18 Cb 0.03 -1.05 0.18 0.00 -0.00 0.00 0.00 43.42 42.58 2jmc n LEU 18 CO 0.77 -1.10 0.22 0.18 -0.00 0.00 0.00 177.39 177.46 2jmc n LEU 19 N 9.18 0.00 -4.39 -1.96 4.32 -0.10 -4.63 117.00 119.42 2jmc n LEU 19 Ca 0.48 -0.55 -0.50 0.00 -0.02 0.00 0.00 56.01 55.42 2jmc n LEU 19 Cb 0.42 -0.66 -0.12 0.00 -1.62 0.00 0.00 43.42 41.44 2jmc n LEU 19 CO 1.02 -2.37 1.94 -3.20 -1.22 0.00 0.00 177.39 173.56 2jmc n ASN 20 N -4.17 0.91 -1.80 -1.43 5.15 -1.25 -4.41 115.26 108.26 2jmc n ASN 20 Ca 0.09 0.38 0.03 0.00 -0.60 0.00 0.00 54.58 54.48 2jmc n ASN 20 Cb 0.38 -1.01 0.35 0.00 -0.53 0.00 0.00 39.78 38.96 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 9.53 5.12 -0.29 1.20 3.41 -1.26 -1.82 113.62 129.51 2jmc n SER 21 Ca 0.56 -2.90 0.09 0.00 -0.26 0.00 0.00 58.87 56.35 2jmc n SER 21 Cb 0.07 -0.68 0.25 0.00 -0.26 0.00 0.00 64.21 63.58 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 3.32 0.63 -2.62 6.66 1.03 -1.85 -3.38 112.91 116.70 2jmc h THR 22 Ca 0.06 -0.18 -0.57 0.00 -0.01 0.00 0.00 66.41 65.71 2jmc h THR 22 Cb 1.93 0.06 -0.03 0.00 -1.07 0.00 0.00 68.15 69.04 2jmc h THR 22 CO 0.51 0.10 1.28 0.20 -0.01 0.00 0.00 175.52 177.59 2jmc s ASN 23 N -5.33 5.84 0.46 0.00 -0.87 -1.22 -4.85 114.94 108.98 2jmc s ASN 23 Ca -0.12 1.22 0.17 0.00 -1.57 0.00 0.00 52.86 52.56 2jmc s ASN 23 Cb 0.23 -2.53 1.10 0.00 -0.02 0.00 0.00 41.25 40.03 2jmc s ASN 23 CO 0.78 -1.76 2.02 0.07 -2.57 0.00 0.00 177.10 175.63 2jmc h LYS 24 N 13.03 0.00 -0.01 -0.60 2.10 -2.00 -1.24 116.57 127.86 2jmc h LYS 24 Ca -0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 2jmc h LYS 24 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 2jmc h LYS 24 CO 1.05 0.16 -0.31 -0.25 -2.00 0.00 0.00 179.45 178.10 2jmc n ASP 25 N -4.23 1.34 -3.66 7.07 9.92 -1.26 -4.80 116.55 120.94 2jmc n ASP 25 Ca -0.02 -1.10 -0.05 0.00 -0.53 0.00 0.00 54.79 53.09 2jmc n ASP 25 Cb 0.23 0.23 -0.07 0.00 -0.64 0.00 0.00 41.12 40.88 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 -2.48 -1.04 -0.41 1.24 0.52 -0.47 -4.21 118.94 112.10 2jmc s TRP 26 Ca 0.23 1.92 -0.12 0.00 0.02 0.00 0.00 56.10 58.15 2jmc s TRP 26 Cb 0.19 0.55 0.05 0.00 -1.15 0.00 0.00 33.47 33.11 2jmc s TRP 26 CO 0.53 -0.55 0.26 -1.58 0.02 0.00 0.00 176.95 175.63 2jmc s TRP 27 N 2.45 3.27 0.27 -1.98 0.52 0.41 -3.39 118.94 120.49 2jmc s TRP 27 Ca -0.05 -1.06 -0.30 0.00 0.02 0.00 0.00 56.10 54.70 2jmc s TRP 27 Cb -0.11 -2.71 -0.12 0.00 -1.15 0.00 0.00 33.47 29.39 2jmc s TRP 27 CO -0.16 -0.72 1.54 1.17 0.02 0.00 0.00 176.95 178.80 2jmc n LYS 28 N 5.03 2.50 -3.80 4.98 4.81 -0.75 -3.31 118.16 127.62 2jmc n LYS 28 Ca -0.11 0.89 -0.13 0.00 -0.87 0.00 0.00 58.31 58.09 2jmc n LYS 28 Cb 0.45 -2.64 -0.12 0.00 0.02 0.00 0.00 35.03 32.74 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 0.03 -0.00 0.24 3.15 -7.23 -0.75 -0.92 120.40 114.90 2jmc s VAL 29 Ca 0.66 0.02 0.05 0.00 -1.81 0.00 0.00 61.98 60.90 2jmc s VAL 29 Cb -0.54 -0.28 -0.03 0.00 0.56 0.00 0.00 36.38 36.09 2jmc s VAL 29 CO 0.48 0.01 0.33 -0.70 -0.31 0.00 0.00 175.10 174.91 2jmc s GLU 30 N 0.21 3.36 -0.42 4.82 2.12 -1.08 -2.88 118.70 124.83 2jmc s GLU 30 Ca -0.01 -0.80 0.08 0.00 0.36 0.00 0.00 54.97 54.60 2jmc s GLU 30 Cb -0.02 -2.84 0.26 0.00 0.26 0.00 0.00 34.13 31.79 2jmc s GLU 30 CO -0.00 0.43 0.57 0.28 -0.54 0.00 0.00 175.26 176.00 2jmc n VAL 31 N -1.34 -0.25 0.00 3.70 0.31 0.62 -3.04 118.33 118.34 2jmc n VAL 31 Ca -0.09 -4.23 0.00 0.00 -0.01 0.00 0.00 64.34 60.01 2jmc n VAL 31 Cb 0.57 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 31.70 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 1.21 0.00 0.00 4.52 3.02 -1.26 -2.18 115.26 120.57 2jmc n ASN 32 Ca 0.23 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 2jmc n ASN 32 Cb 0.53 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 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 2.44 3.43 -4.56 6.41 9.92 -1.26 -5.02 116.55 127.90 2jmc n ASP 33 Ca 0.00 0.00 -0.36 0.00 -0.53 0.00 0.00 54.79 53.90 2jmc n ASP 33 Cb 0.00 0.63 -0.11 0.00 -0.64 0.00 0.00 41.12 41.00 2jmc n ASP 33 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jmc s ARG 34 N -1.42 3.85 0.03 -1.24 1.70 -0.93 -4.89 118.95 116.06 2jmc s ARG 34 Ca 0.00 -0.39 0.00 0.00 -0.47 0.00 0.00 55.73 54.87 2jmc s ARG 34 Cb 0.00 -3.30 -0.00 0.00 -0.57 0.00 0.00 34.95 31.08 2jmc s ARG 34 CO 0.00 0.05 0.01 0.00 -1.08 0.00 0.00 175.30 174.28 2jmc n GLN 35 N 4.22 0.97 0.00 3.89 10.64 -1.26 0.23 117.38 136.07 2jmc n GLN 35 Ca -0.16 -0.24 0.00 0.00 -1.83 0.00 0.00 57.00 54.77 2jmc n GLN 35 Cb 0.52 0.12 0.00 0.00 -0.86 0.00 0.00 30.24 30.02 2jmc n GLN 35 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2jmc n GLY 36 N 2.27 0.89 3.81 2.61 0.00 -1.14 -3.61 105.19 110.02 2jmc n GLY 36 Ca -0.00 -1.85 -0.38 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.19 3.77 0.04 1.61 0.08 -1.26 -1.82 117.98 119.21 2jmc s PHE 37 Ca 0.00 1.18 -0.01 0.00 0.12 0.00 0.00 56.93 58.22 2jmc s PHE 37 Cb 0.00 -2.46 -0.03 0.00 -0.57 0.00 0.00 43.02 39.96 2jmc s PHE 37 CO 0.00 0.57 -0.02 0.14 -0.10 0.00 0.00 175.22 175.81 2jmc s VAL 38 N -0.96 0.17 -0.11 -0.44 -7.23 -1.21 -4.91 120.40 105.72 2jmc s VAL 38 Ca 0.28 -1.43 -0.29 0.00 -1.81 0.00 0.00 61.98 58.72 2jmc s VAL 38 Cb -0.19 -1.03 -0.04 0.00 0.56 0.00 0.00 36.38 35.68 2jmc s VAL 38 CO 0.17 -0.79 1.54 -2.16 -0.31 0.00 0.00 175.10 173.55 2jmc s PRO 39 N -2.96 4.13 0.57 4.82 0.04 -1.26 0.15 135.00 140.49 2jmc s PRO 39 Ca -0.02 1.95 0.28 0.00 0.04 0.00 0.00 61.00 63.25 2jmc s PRO 39 Cb 0.01 -3.93 1.50 0.00 0.04 0.00 0.00 34.50 32.12 2jmc s PRO 39 CO -0.06 -0.88 1.98 0.00 0.04 0.00 0.00 177.00 178.07 2jmc h ALA 40 N 9.35 2.20 0.00 8.56 0.00 -1.87 0.27 119.26 137.77 2jmc h ALA 40 Ca -0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2jmc h ALA 40 Cb 1.15 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2jmc h ALA 40 CO 0.97 -0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.61 2jmc h ALA 41 N 1.62 1.00 -0.00 0.00 0.00 -1.89 -0.33 119.26 119.65 2jmc h ALA 41 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2jmc h ALA 41 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2jmc h ALA 41 CO -0.00 0.00 -0.74 0.66 0.00 0.00 0.00 179.25 179.17 2jmc n TYR 42 N -3.07 0.00 -4.51 0.00 4.02 0.94 -4.76 117.16 109.78 2jmc n TYR 42 Ca -0.02 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.62 2jmc n TYR 42 Cb 0.14 -0.12 -0.08 0.00 -0.02 0.00 0.00 39.34 39.26 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 0.62 -0.27 -0.72 -7.23 -0.14 0.57 120.40 110.25 2jmc s VAL 43 Ca 0.10 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 58.01 2jmc s VAL 43 Cb 0.17 -2.36 0.13 0.00 0.56 0.00 0.00 36.38 34.88 2jmc s VAL 43 CO 0.78 0.00 1.08 -0.75 -0.31 0.00 0.00 175.10 175.90 2jmc s LYS 44 N -3.72 0.46 0.64 4.82 2.20 -0.42 -4.79 119.74 118.93 2jmc s LYS 44 Ca 0.24 0.49 -0.18 0.00 -0.36 0.00 0.00 55.97 56.15 2jmc s LYS 44 Cb 0.03 0.22 -0.02 0.00 -1.51 0.00 0.00 37.83 36.55 2jmc s LYS 44 CO 0.14 -0.07 1.29 0.15 -0.36 0.00 0.00 175.35 176.51 2jmc s LYS 45 N 0.06 2.63 0.53 4.03 1.02 -1.26 -0.62 119.74 126.13 2jmc s LYS 45 Ca 0.03 2.04 0.02 0.00 0.02 0.00 0.00 55.97 58.09 2jmc s LYS 45 Cb -0.05 -1.87 0.01 0.00 -0.52 0.00 0.00 37.83 35.40 2jmc s LYS 45 CO -0.07 -1.53 0.14 -0.51 -0.92 0.00 0.00 175.35 172.47 2jmc s LEU 46 N -4.29 2.41 -0.41 3.17 1.43 -1.16 -4.77 118.68 115.06 2jmc s LEU 46 Ca 0.82 -1.53 -0.05 0.00 -1.03 0.00 0.00 54.13 52.34 2jmc s LEU 46 Cb -0.37 -0.88 0.10 0.00 0.03 0.00 0.00 46.19 45.07 2jmc s LEU 46 CO 0.39 -0.96 0.22 -0.62 0.23 0.00 0.00 176.35 175.61 2jmc s ASP 47 N -4.03 5.36 -0.21 2.29 2.15 -1.26 -4.91 116.67 116.07 2jmc s ASP 47 Ca 0.14 -1.84 -0.19 0.00 0.43 0.00 0.00 52.55 51.10 2jmc s ASP 47 Cb -0.00 -1.87 -0.16 0.00 -0.30 0.00 0.00 42.92 40.58 2jmc s ASP 47 CO 0.09 -0.54 0.09 -0.24 -0.17 0.00 0.00 175.17 174.40 2jmc n SER 48 N 4.71 1.87 0.00 -0.34 2.88 -1.26 -5.04 113.62 116.44 2jmc n SER 48 Ca -0.06 0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 2jmc n SER 48 Cb 0.42 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 62.94 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 1.43 2.71 0.30 0.46 0.00 -1.26 -4.81 105.19 104.03 2jmc n GLY 49 Ca -0.32 -0.74 0.16 0.00 0.00 0.00 0.00 46.02 45.11 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 0.50 0.00 2.61 1.03 -2.03 -3.45 112.91 111.57 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 0.98 0.00 0.00 -1.07 0.00 0.00 68.15 68.06 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 -1.33 0.87 3.95 2.99 0.00 -1.26 -5.14 105.19 105.28 2jmc n GLY 51 Ca -0.02 0.00 -0.23 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 0.25 3.44 -0.77 1.61 -0.14 -1.26 -5.06 119.74 117.81 2jmc s LYS 52 Ca 0.00 -0.43 -0.02 0.00 -1.36 0.00 0.00 55.97 54.16 2jmc s LYS 52 Cb 0.00 -2.70 0.19 0.00 -1.68 0.00 0.00 37.83 33.65 2jmc s LYS 52 CO 0.00 0.16 0.62 -1.21 -0.76 0.00 0.00 175.35 174.16 2jmc s GLU 53 N -4.28 2.94 0.21 1.68 0.41 -1.26 -4.83 118.70 113.57 2jmc s GLU 53 Ca 0.40 -2.94 0.10 0.00 -0.41 0.00 0.00 54.97 52.12 2jmc s GLU 53 Cb -0.09 -3.85 -0.05 0.00 -1.78 0.00 0.00 34.13 28.36 2jmc s GLU 53 CO 0.35 -1.23 -0.19 -0.48 -0.49 0.00 0.00 175.26 173.22 2jmc s LEU 54 N -0.76 2.50 -0.10 1.80 0.05 -1.26 0.03 118.68 120.94 2jmc s LEU 54 Ca 0.22 -0.94 -0.03 0.00 0.05 0.00 0.00 54.13 53.43 2jmc s LEU 54 Cb -0.13 -0.93 0.05 0.00 -2.05 0.00 0.00 46.19 43.13 2jmc s LEU 54 CO -0.09 -0.01 0.13 0.68 -0.55 0.00 0.00 176.35 176.51 2jmc s VAL 55 N -2.28 -0.21 0.47 1.48 -7.23 -1.10 -2.99 120.40 108.55 2jmc s VAL 55 Ca 0.22 0.26 -0.21 0.00 -1.81 0.00 0.00 61.98 60.44 2jmc s VAL 55 Cb -0.05 -0.33 -0.08 0.00 0.56 0.00 0.00 36.38 36.48 2jmc s VAL 55 CO 0.09 0.07 1.08 -0.22 -0.31 0.00 0.00 175.10 175.81 2jmc s LEU 56 N 2.24 3.93 -0.42 1.32 1.98 0.21 -2.79 118.68 125.14 2jmc s LEU 56 Ca 0.04 2.06 -0.19 0.00 -2.89 0.00 0.00 54.13 53.14 2jmc s LEU 56 Cb -0.13 -4.42 0.02 0.00 0.66 0.00 0.00 46.19 42.32 2jmc s LEU 56 CO -0.06 -0.80 0.57 0.00 -1.89 0.00 0.00 176.35 174.17 2jmc s ALA 57 N -1.80 3.38 0.07 5.97 0.00 -0.07 -1.29 121.76 128.02 2jmc s ALA 57 Ca 0.65 -1.28 -0.08 0.00 0.00 0.00 0.00 51.96 51.25 2jmc s ALA 57 Cb -0.21 -3.20 -0.27 0.00 0.00 0.00 0.00 23.12 19.44 2jmc s ALA 57 CO 0.25 -1.68 1.13 -0.07 0.00 0.00 0.00 175.76 175.40 2jmc h LEU 58 N 9.45 0.60 -9.80 0.00 3.38 -0.18 0.21 115.31 118.98 2jmc h LEU 58 Ca -0.26 -0.60 -0.64 0.00 0.09 0.00 0.00 57.88 56.47 2jmc h LEU 58 Cb 1.10 -0.19 -0.13 0.00 0.09 0.00 0.00 40.66 41.53 2jmc h LEU 58 CO 0.85 1.45 -0.55 -0.31 0.09 0.00 0.00 178.44 179.97 2jmc s TYR 59 N -2.79 2.07 -0.19 1.13 2.02 -0.79 -4.76 117.35 114.05 2jmc s TYR 59 Ca -0.06 -0.90 -0.14 0.00 -0.37 0.00 0.00 57.07 55.60 2jmc s TYR 59 Cb 0.06 -1.59 -0.04 0.00 -0.40 0.00 0.00 41.96 39.99 2jmc s TYR 59 CO 0.90 0.23 0.29 0.16 -1.57 0.00 0.00 175.55 175.57 2jmc s ASP 60 N -3.77 6.36 0.24 2.29 -4.77 -1.25 -3.68 116.67 112.10 2jmc s ASP 60 Ca 0.19 0.42 0.03 0.00 -3.30 0.00 0.00 52.55 49.89 2jmc s ASP 60 Cb 0.05 -2.18 -0.05 0.00 -1.09 0.00 0.00 42.92 39.65 2jmc s ASP 60 CO 0.10 0.04 0.03 -0.47 0.70 0.00 0.00 175.17 175.57 2jmc s TYR 61 N 0.86 1.58 -0.17 2.11 6.14 -0.33 -4.97 117.35 122.56 2jmc s TYR 61 Ca 0.15 -1.00 -0.06 0.00 0.64 0.00 0.00 57.07 56.80 2jmc s TYR 61 Cb -0.14 -0.93 0.08 0.00 0.42 0.00 0.00 41.96 41.39 2jmc s TYR 61 CO 0.05 -0.13 0.36 -1.14 0.64 0.00 0.00 175.55 175.33 2jmc s GLN 62 N -3.92 0.25 -0.10 4.97 2.00 -1.26 -2.83 119.66 118.77 2jmc s GLN 62 Ca 0.31 0.92 0.03 0.00 -2.00 0.00 0.00 55.36 54.62 2jmc s GLN 62 Cb 0.07 0.18 -0.01 0.00 0.80 0.00 0.00 33.01 34.04 2jmc s GLN 62 CO 0.10 -0.27 -0.19 -2.00 -0.50 0.00 0.00 175.29 172.44 2jmc s GLU 63 N 2.54 3.05 -0.58 1.67 -6.30 0.97 -4.96 118.70 115.08 2jmc s GLU 63 Ca -0.00 -0.78 -0.07 0.00 -2.50 0.00 0.00 54.97 51.61 2jmc s GLU 63 Cb -0.12 -2.42 0.15 0.00 0.00 0.00 0.00 34.13 31.74 2jmc s GLU 63 CO -0.11 0.28 0.44 -1.12 0.02 0.00 0.00 175.26 174.77 2jmc s SER 64 N 0.14 5.70 0.06 -1.70 0.01 -1.26 -1.77 113.70 114.88 2jmc s SER 64 Ca -0.10 -2.38 0.00 0.00 1.31 0.00 0.00 55.95 54.79 2jmc s SER 64 Cb -0.16 -1.98 0.00 0.00 0.21 0.00 0.00 66.02 64.09 2jmc s SER 64 CO 0.06 -0.55 0.00 0.61 0.41 0.00 0.00 173.24 173.77 2jmc n GLY 65 N 4.24 -4.12 2.78 3.44 0.00 -0.88 -4.72 105.19 105.92 2jmc n GLY 65 Ca 0.02 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 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 0.51 0.42 -4.26 1.61 5.75 -1.25 -4.88 116.55 114.45 2jmc n ASP 66 Ca 0.00 0.34 -0.28 0.00 -0.01 0.00 0.00 54.79 54.84 2jmc n ASP 66 Cb 0.00 -0.75 -0.15 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 6.23 2.63 0.35 -1.12 0.02 -1.26 -4.98 114.94 116.80 2jmc s ASN 67 Ca 1.05 -0.46 -0.28 0.00 -1.02 0.00 0.00 52.86 52.16 2jmc s ASN 67 Cb -1.13 -0.26 -0.09 0.00 0.02 0.00 0.00 41.25 39.78 2jmc s ASN 67 CO 0.47 0.24 1.22 0.00 0.02 0.00 0.00 177.10 179.05 2jmc s ALA 68 N -0.63 3.35 0.00 0.60 0.00 -1.26 -4.01 121.76 119.81 2jmc s ALA 68 Ca 0.09 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.14 2jmc s ALA 68 Cb -0.09 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.61 2jmc s ALA 68 CO 0.00 -0.52 0.00 -0.35 0.00 0.00 0.00 175.76 174.89 2jmc n PRO 69 N 0.60 0.00 0.00 0.00 -0.04 -1.26 -4.82 135.00 129.48 2jmc n PRO 69 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 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 -4.65 3.54 2.88 -1.26 -4.88 113.62 109.25 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 0.13 0.00 -0.75 0.00 0.00 64.21 63.59 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 2.37 0.47 0.66 -0.85 -1.26 -5.03 117.35 113.71 2jmc s TYR 71 Ca 0.00 0.70 -0.21 0.00 -0.52 0.00 0.00 57.07 57.04 2jmc s TYR 71 Cb 0.00 -3.57 -0.08 0.00 0.38 0.00 0.00 41.96 38.69 2jmc s TYR 71 CO 0.00 -2.31 1.05 -1.54 -1.52 0.00 0.00 175.55 171.23 2jmc s SER 72 N -4.37 6.38 0.64 -0.18 1.04 -1.26 -4.97 113.70 110.98 2jmc s SER 72 Ca 0.65 1.98 -0.16 0.00 0.48 0.00 0.00 55.95 58.90 2jmc s SER 72 Cb -0.11 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.43 2jmc s SER 72 CO 0.52 -0.76 1.11 -2.16 0.98 0.00 0.00 173.24 172.94 2jmc s PRO 73 N -3.08 2.88 0.60 4.02 0.04 -1.26 -5.02 135.00 133.19 2jmc s PRO 73 Ca 0.66 1.42 -0.17 0.00 0.04 0.00 0.00 61.00 62.95 2jmc s PRO 73 Cb -0.18 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 2jmc s PRO 73 CO 0.22 -1.19 1.12 -1.25 0.04 0.00 0.00 177.00 175.94 2jmc s PRO 74 N -3.98 3.08 0.05 0.56 0.04 -1.26 -4.98 135.00 128.51 2jmc s PRO 74 Ca 0.68 1.50 -0.31 0.00 0.04 0.00 0.00 61.00 62.91 2jmc s PRO 74 Cb -0.21 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.29 2jmc s PRO 74 CO 0.39 -1.05 1.41 -1.25 0.04 0.00 0.00 177.00 176.54 2jmc s PRO 75 N -3.70 4.30 1.01 0.56 0.04 -1.26 -4.99 135.00 130.96 2jmc s PRO 75 Ca 0.70 2.02 -0.13 0.00 0.04 0.00 0.00 61.00 63.64 2jmc s PRO 75 Cb -0.22 -3.44 0.20 0.00 0.04 0.00 0.00 34.50 31.07 2jmc s PRO 75 CO 0.34 -0.52 1.09 -1.25 0.04 0.00 0.00 177.00 176.71 2jmc s PRO 76 N 1.87 0.30 0.00 0.56 0.04 -1.26 -5.16 135.00 131.35 2jmc s PRO 76 Ca 0.65 0.48 0.16 0.00 0.04 0.00 0.00 61.00 62.33 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 0.00 177.00 175.51