#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 0.13 1.21 4.61 0.00 -1.26 -5.17 121.76 121.28 2jmc s ALA 2 Ca 0.00 -1.21 -0.11 0.00 0.00 0.00 0.00 51.96 50.64 2jmc s ALA 2 Cb 0.00 0.92 0.17 0.00 0.00 0.00 0.00 23.12 24.21 2jmc s ALA 2 CO 0.00 -0.88 0.39 -1.33 0.00 0.00 0.00 175.76 173.94 2jmc n MET 3 N -0.57 -3.22 -2.53 0.00 2.00 -1.26 -4.95 117.12 106.60 2jmc n MET 3 Ca -0.03 -0.66 -0.36 0.00 0.00 0.00 0.00 57.70 56.64 2jmc n MET 3 Cb 0.61 -0.84 -0.04 0.00 0.00 0.00 0.00 33.22 32.95 2jmc n MET 3 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2jmc s GLY 4 N -2.55 2.74 0.35 3.03 0.00 -1.26 -4.94 107.32 104.68 2jmc s GLY 4 Ca 0.30 0.71 0.27 0.00 0.00 0.00 0.00 44.72 46.00 2jmc s GLY 4 CO 0.25 1.14 1.80 -0.56 0.00 0.00 0.00 173.10 175.73 2jmc h PRO 5 N 2.47 0.00 -5.53 2.90 0.13 -1.94 -2.39 132.00 127.64 2jmc h PRO 5 Ca -0.48 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.19 2jmc h PRO 5 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2jmc h PRO 5 CO 0.62 0.00 1.61 0.54 -0.23 0.00 0.00 178.00 180.54 2jmc n ARG 6 N -2.49 0.91 -3.79 0.86 1.74 -1.26 -4.41 116.66 108.21 2jmc n ARG 6 Ca 0.02 -0.03 -0.37 0.00 -0.77 0.00 0.00 57.85 56.70 2jmc n ARG 6 Cb 0.25 -3.24 -0.12 0.00 -1.02 0.00 0.00 32.46 28.32 2jmc n ARG 6 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2jmc s GLU 7 N 8.39 2.31 -0.08 5.56 -1.05 -1.26 0.23 118.70 132.80 2jmc s GLU 7 Ca 1.02 -1.50 -0.26 0.00 -0.15 0.00 0.00 54.97 54.08 2jmc s GLU 7 Cb -0.29 -3.46 -0.03 0.00 -0.44 0.00 0.00 34.13 29.91 2jmc s GLU 7 CO 0.28 -0.85 0.83 0.54 0.95 0.00 0.00 175.26 177.01 2jmc s VAL 8 N 1.25 4.93 -0.11 1.83 0.11 -1.08 -4.62 120.40 122.71 2jmc s VAL 8 Ca 0.02 1.70 0.01 0.00 -2.93 0.00 0.00 61.98 60.78 2jmc s VAL 8 Cb -0.21 -4.16 0.02 0.00 -1.53 0.00 0.00 36.38 30.49 2jmc s VAL 8 CO -0.01 0.15 -0.13 0.42 -3.33 0.00 0.00 175.10 172.19 2jmc s THR 9 N 1.33 1.34 -0.51 5.04 -4.23 -1.26 -0.19 115.64 117.17 2jmc s THR 9 Ca 0.42 -0.54 -0.05 0.00 -1.18 0.00 0.00 61.69 60.35 2jmc s THR 9 Cb -0.18 -1.26 0.13 0.00 1.34 0.00 0.00 72.50 72.53 2jmc s THR 9 CO 0.19 0.41 0.34 -0.04 -0.54 0.00 0.00 174.62 174.98 2jmc s MET 10 N 1.15 2.37 0.01 3.99 -1.94 -0.00 -4.94 119.30 119.94 2jmc s MET 10 Ca -0.04 -2.06 -0.12 0.00 -1.71 0.00 0.00 55.69 51.76 2jmc s MET 10 Cb -0.14 -3.76 -0.05 0.00 2.01 0.00 0.00 34.83 32.89 2jmc s MET 10 CO -0.03 -1.15 0.37 0.15 -0.01 0.00 0.00 175.02 174.36 2jmc s LYS 11 N 0.77 3.81 -0.49 2.03 1.02 -1.26 -0.63 119.74 125.00 2jmc s LYS 11 Ca 0.11 0.28 -0.44 0.00 0.02 0.00 0.00 55.97 55.93 2jmc s LYS 11 Cb -0.22 -3.15 -0.19 0.00 -0.52 0.00 0.00 37.83 33.75 2jmc s LYS 11 CO -0.03 0.66 1.77 1.17 -0.92 0.00 0.00 175.35 178.00 2jmc n LYS 12 N 1.56 0.00 -0.95 1.68 4.81 -1.22 -2.33 118.16 121.70 2jmc n LYS 12 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.31 2jmc n LYS 12 Cb 0.53 -1.46 0.00 0.00 0.02 0.00 0.00 35.03 34.12 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 5.31 0.57 3.12 3.14 0.00 -0.11 -5.02 105.19 112.19 2jmc n GLY 13 Ca 0.40 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.12 0.05 -0.07 1.61 2.15 -0.99 -4.94 116.67 112.37 2jmc s ASP 14 Ca 0.00 -0.28 0.02 0.00 0.43 0.00 0.00 52.55 52.72 2jmc s ASP 14 Cb 0.00 0.22 -0.03 0.00 -0.30 0.00 0.00 42.92 42.81 2jmc s ASP 14 CO 0.00 -0.41 -0.10 -0.63 -0.17 0.00 0.00 175.17 173.86 2jmc s ILE 15 N -1.71 3.43 -0.08 4.11 1.01 -1.26 -0.17 121.20 126.52 2jmc s ILE 15 Ca -0.12 -0.58 -0.04 0.00 0.00 0.00 0.00 60.65 59.91 2jmc s ILE 15 Cb -0.06 -2.39 0.04 0.00 0.01 0.00 0.00 42.46 40.07 2jmc s ILE 15 CO 0.00 0.59 0.19 -0.76 0.00 0.00 0.00 174.94 174.95 2jmc s LEU 16 N -0.65 0.50 -0.31 2.97 1.02 -1.02 -4.99 118.68 116.20 2jmc s LEU 16 Ca 0.10 0.40 -0.44 0.00 0.02 0.00 0.00 54.13 54.21 2jmc s LEU 16 Cb -0.11 0.50 -0.19 0.00 0.02 0.00 0.00 46.19 46.41 2jmc s LEU 16 CO 0.01 -0.17 1.46 0.41 0.02 0.00 0.00 176.35 178.09 2jmc n THR 17 N 4.36 0.04 -1.11 5.49 -1.04 -1.18 -2.81 114.28 118.02 2jmc n THR 17 Ca -0.24 -0.01 -0.40 0.00 -2.04 0.00 0.00 64.05 61.37 2jmc n THR 17 Cb 0.52 -0.48 -0.08 0.00 -1.82 0.00 0.00 70.33 68.47 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 3.43 2.90 0.00 -4.42 -0.00 0.10 -2.58 117.00 116.43 2jmc n LEU 18 Ca 0.27 -2.50 -0.19 0.00 -0.00 0.00 0.00 56.01 53.59 2jmc n LEU 18 Cb 0.02 -1.06 0.18 0.00 -0.00 0.00 0.00 43.42 42.56 2jmc n LEU 18 CO 0.80 -1.23 0.21 0.18 -0.00 0.00 0.00 177.39 177.35 2jmc n LEU 19 N 9.60 0.00 -4.50 -1.96 4.32 0.01 -4.60 117.00 119.87 2jmc n LEU 19 Ca 0.48 -0.54 -0.40 0.00 -0.02 0.00 0.00 56.01 55.52 2jmc n LEU 19 Cb 0.42 -0.65 -0.13 0.00 -1.62 0.00 0.00 43.42 41.44 2jmc n LEU 19 CO 1.01 -2.36 2.19 -3.20 -1.22 0.00 0.00 177.39 173.82 2jmc n ASN 20 N -4.27 0.62 -1.73 -1.43 5.15 -1.25 -4.38 115.26 107.97 2jmc n ASN 20 Ca 0.09 0.08 0.07 0.00 -0.60 0.00 0.00 54.58 54.21 2jmc n ASN 20 Cb 0.37 -1.03 0.36 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 11.32 5.18 -0.32 1.20 3.41 -1.26 -1.90 113.62 131.25 2jmc n SER 21 Ca 0.61 -2.78 -0.10 0.00 -0.26 0.00 0.00 58.87 56.34 2jmc n SER 21 Cb 0.11 -0.65 -0.09 0.00 -0.26 0.00 0.00 64.21 63.32 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 3.64 0.00 -2.63 6.66 1.03 -1.85 -3.34 112.91 116.43 2jmc h THR 22 Ca 0.00 0.00 -0.56 0.00 -0.01 0.00 0.00 66.41 65.84 2jmc h THR 22 Cb 1.78 0.00 -0.03 0.00 -1.07 0.00 0.00 68.15 68.82 2jmc h THR 22 CO 0.42 0.00 1.25 0.21 -0.01 0.00 0.00 175.52 177.39 2jmc s ASN 23 N -5.07 5.84 0.33 0.00 2.47 -1.26 -4.86 114.94 112.39 2jmc s ASN 23 Ca -0.11 0.96 0.05 0.00 0.42 0.00 0.00 52.86 54.18 2jmc s ASN 23 Cb 0.09 -2.53 0.68 0.00 -1.45 0.00 0.00 41.25 38.04 2jmc s ASN 23 CO 0.53 -1.81 1.89 0.07 -3.72 0.00 0.00 177.10 174.06 2jmc h LYS 24 N 12.89 0.83 -0.08 0.43 2.10 -1.99 0.28 116.57 131.03 2jmc h LYS 24 Ca -0.30 -0.05 -0.04 0.00 -2.00 0.00 0.00 60.65 58.26 2jmc h LYS 24 Cb 1.15 -0.19 -0.01 0.00 -0.90 0.00 0.00 32.23 32.29 2jmc h LYS 24 CO 1.09 0.55 -0.13 -0.44 -2.00 0.00 0.00 179.45 178.51 2jmc h ASP 25 N 0.85 0.11 -3.19 7.07 3.32 -1.92 -3.39 116.42 119.28 2jmc h ASP 25 Ca 0.41 -0.02 -0.42 0.00 0.02 0.00 0.00 57.03 57.02 2jmc h ASP 25 Cb 0.44 -0.03 -0.40 0.00 0.22 0.00 0.00 39.33 39.56 2jmc h ASP 25 CO -0.18 0.26 -0.75 0.26 -1.72 0.00 0.00 179.24 177.12 2jmc s TRP 26 N -4.73 0.20 -0.41 4.55 0.52 0.08 -3.61 118.94 115.54 2jmc s TRP 26 Ca -0.05 -0.07 -0.16 0.00 0.02 0.00 0.00 56.10 55.84 2jmc s TRP 26 Cb 0.16 -0.62 0.02 0.00 -1.15 0.00 0.00 33.47 31.88 2jmc s TRP 26 CO 0.71 -0.36 0.33 -1.58 0.02 0.00 0.00 176.95 176.07 2jmc s TRP 27 N 2.13 3.22 0.32 -1.98 0.52 0.53 -3.98 118.94 119.71 2jmc s TRP 27 Ca 0.03 -0.55 -0.29 0.00 0.02 0.00 0.00 56.10 55.31 2jmc s TRP 27 Cb -0.14 -2.67 -0.11 0.00 -1.15 0.00 0.00 33.47 29.39 2jmc s TRP 27 CO -0.06 -0.62 1.55 0.21 0.02 0.00 0.00 176.95 178.05 2jmc s LYS 28 N 1.78 4.12 -0.07 4.98 2.20 -0.80 -3.08 119.74 128.88 2jmc s LYS 28 Ca 0.07 2.56 -0.07 0.00 -0.36 0.00 0.00 55.97 58.17 2jmc s LYS 28 Cb -0.19 -3.01 0.02 0.00 -1.51 0.00 0.00 37.83 33.14 2jmc s LYS 28 CO 0.11 -0.59 0.19 0.14 -0.36 0.00 0.00 175.35 174.84 2jmc s VAL 29 N -0.41 -0.00 0.26 4.02 -7.23 -1.02 -0.81 120.40 115.21 2jmc s VAL 29 Ca 0.59 0.01 0.06 0.00 -1.81 0.00 0.00 61.98 60.82 2jmc s VAL 29 Cb -0.47 -0.27 -0.03 0.00 0.56 0.00 0.00 36.38 36.17 2jmc s VAL 29 CO 0.53 0.00 0.37 -0.70 -0.31 0.00 0.00 175.10 174.99 2jmc s GLU 30 N 0.14 3.30 -0.38 4.82 2.12 -1.06 -2.98 118.70 124.66 2jmc s GLU 30 Ca -0.00 -0.86 0.11 0.00 0.36 0.00 0.00 54.97 54.58 2jmc s GLU 30 Cb -0.02 -2.83 0.33 0.00 0.26 0.00 0.00 34.13 31.87 2jmc s GLU 30 CO 0.00 0.34 0.74 0.28 -0.54 0.00 0.00 175.26 176.07 2jmc n VAL 31 N -1.44 -0.22 0.00 3.70 0.31 0.67 -3.13 118.33 118.22 2jmc n VAL 31 Ca -0.07 -4.22 0.00 0.00 -0.01 0.00 0.00 64.34 60.05 2jmc n VAL 31 Cb 0.57 -0.32 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 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 0.46 0.00 0.00 4.52 3.02 -1.26 -2.65 115.26 119.35 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 0.65 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.82 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 2.96 3.08 -4.83 6.41 8.00 -1.26 -5.05 116.55 125.86 2jmc n ASP 33 Ca 0.00 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.14 2jmc n ASP 33 Cb 0.00 0.46 -0.07 0.00 -0.02 0.00 0.00 41.12 41.49 2jmc n ASP 33 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2jmc s ARG 34 N -1.43 3.53 0.16 -1.24 0.52 -1.08 -4.75 118.95 114.67 2jmc s ARG 34 Ca 0.00 -0.18 -0.01 0.00 -0.52 0.00 0.00 55.73 55.02 2jmc s ARG 34 Cb 0.00 -3.19 0.00 0.00 0.52 0.00 0.00 34.95 32.29 2jmc s ARG 34 CO 0.00 0.68 0.23 1.04 0.02 0.00 0.00 175.30 177.27 2jmc n GLN 35 N 2.30 0.33 0.00 3.54 6.02 -1.26 0.24 117.38 128.55 2jmc n GLN 35 Ca -0.19 -1.30 0.00 0.00 -0.01 0.00 0.00 57.00 55.50 2jmc n GLN 35 Cb 0.54 1.26 0.00 0.00 1.02 0.00 0.00 30.24 33.06 2jmc n GLN 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jmc n GLY 36 N -0.27 2.09 3.68 1.08 0.00 -1.16 -3.27 105.19 107.34 2jmc n GLY 36 Ca 0.00 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.75 3.46 0.17 1.61 0.08 -1.25 -2.44 117.98 117.86 2jmc s PHE 37 Ca 0.00 1.47 0.08 0.00 0.12 0.00 0.00 56.93 58.60 2jmc s PHE 37 Cb 0.00 -3.14 -0.04 0.00 -0.57 0.00 0.00 43.02 39.27 2jmc s PHE 37 CO 0.00 -0.26 -0.17 0.14 -0.10 0.00 0.00 175.22 174.83 2jmc s VAL 38 N 2.18 1.79 -0.22 -0.44 -7.23 -1.18 -4.90 120.40 110.41 2jmc s VAL 38 Ca 0.45 -1.97 -0.29 0.00 -1.81 0.00 0.00 61.98 58.36 2jmc s VAL 38 Cb -0.17 -1.87 -0.03 0.00 0.56 0.00 0.00 36.38 34.87 2jmc s VAL 38 CO 0.15 -0.37 1.61 -2.16 -0.31 0.00 0.00 175.10 174.02 2jmc s PRO 39 N -2.95 3.81 0.65 4.82 0.04 -1.26 0.20 135.00 140.30 2jmc s PRO 39 Ca 0.17 1.67 0.29 0.00 0.04 0.00 0.00 61.00 63.16 2jmc s PRO 39 Cb -0.05 -4.03 1.56 0.00 0.04 0.00 0.00 34.50 32.02 2jmc s PRO 39 CO 0.07 -1.28 1.87 0.00 0.04 0.00 0.00 177.00 177.70 2jmc h ALA 40 N 10.68 1.33 0.00 8.56 0.00 -1.75 0.36 119.26 138.44 2jmc h ALA 40 Ca -0.34 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 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 1.00 -0.33 -0.37 0.00 0.00 0.00 0.00 179.25 179.55 2jmc h ALA 41 N 1.31 1.15 -0.00 0.00 0.00 -1.87 -2.49 119.26 117.36 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 0.68 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2jmc h ALA 41 CO 0.00 0.46 -0.31 0.66 0.00 0.00 0.00 179.25 180.05 2jmc n TYR 42 N -3.74 0.00 -4.54 0.00 4.02 0.13 -4.77 117.16 108.26 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 0.45 -0.34 -0.08 0.00 -0.02 0.00 0.00 39.34 39.36 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 0.53 -0.21 -0.72 -7.23 -0.94 0.13 120.40 108.99 2jmc s VAL 43 Ca 0.13 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 58.01 2jmc s VAL 43 Cb 0.18 -2.27 0.13 0.00 0.56 0.00 0.00 36.38 34.98 2jmc s VAL 43 CO 0.63 0.00 1.05 -0.75 -0.31 0.00 0.00 175.10 175.72 2jmc s LYS 44 N -3.67 0.51 0.27 4.82 2.36 -0.35 -4.78 119.74 118.90 2jmc s LYS 44 Ca 0.21 0.27 -0.29 0.00 -2.55 0.00 0.00 55.97 53.60 2jmc s LYS 44 Cb 0.01 0.24 -0.10 0.00 -1.05 0.00 0.00 37.83 36.94 2jmc s LYS 44 CO 0.14 -0.13 1.30 0.15 1.55 0.00 0.00 175.35 178.36 2jmc s LYS 45 N -0.65 4.39 0.20 4.03 1.02 -1.26 -0.52 119.74 126.95 2jmc s LYS 45 Ca 0.01 2.12 0.05 0.00 0.02 0.00 0.00 55.97 58.17 2jmc s LYS 45 Cb -0.02 -3.13 -0.04 0.00 -0.52 0.00 0.00 37.83 34.12 2jmc s LYS 45 CO -0.02 -0.19 0.22 -0.51 -0.92 0.00 0.00 175.35 173.93 2jmc s LEU 46 N -0.99 3.99 -0.63 3.17 1.43 -1.08 -4.86 118.68 119.70 2jmc s LEU 46 Ca 0.52 -0.08 -0.27 0.00 -1.03 0.00 0.00 54.13 53.27 2jmc s LEU 46 Cb -0.38 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.29 2jmc s LEU 46 CO 0.45 0.01 1.59 -1.81 0.23 0.00 0.00 176.35 176.82 2jmc s ASP 47 N -3.51 5.74 -0.87 2.29 1.01 -1.26 -4.84 116.67 115.23 2jmc s ASP 47 Ca 0.33 0.13 -0.07 0.00 0.71 0.00 0.00 52.55 53.65 2jmc s ASP 47 Cb -0.09 -2.54 0.22 0.00 1.01 0.00 0.00 42.92 41.52 2jmc s ASP 47 CO 0.26 -2.05 0.78 -0.55 0.21 0.00 0.00 175.17 173.82 2jmc s SER 48 N 5.96 6.37 0.36 0.27 0.15 -1.26 -4.92 113.70 120.63 2jmc s SER 48 Ca 0.55 -3.22 0.19 0.00 0.70 0.00 0.00 55.95 54.17 2jmc s SER 48 Cb -0.11 -2.06 1.23 0.00 -1.71 0.00 0.00 66.02 63.37 2jmc s SER 48 CO 0.20 -0.36 1.63 1.23 1.20 0.00 0.00 173.24 177.14 2jmc h GLY 49 N 6.88 2.09 1.49 9.45 0.00 -1.97 1.07 103.07 122.09 2jmc h GLY 49 Ca 0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 2jmc h GLY 49 CO 0.83 -0.61 0.23 0.00 0.00 0.00 0.00 176.54 176.99 2jmc h THR 50 N 0.17 1.16 0.00 4.70 1.03 -2.02 -3.47 112.91 114.49 2jmc h THR 50 Ca 0.79 -0.45 0.00 0.00 -0.01 0.00 0.00 66.41 66.74 2jmc h THR 50 Cb 1.99 0.54 0.00 0.00 -1.07 0.00 0.00 68.15 69.61 2jmc h THR 50 CO -0.66 0.19 0.00 0.61 -0.01 0.00 0.00 175.52 175.65 2jmc n GLY 51 N -1.24 0.64 3.82 2.99 0.00 0.37 -5.14 105.19 106.64 2jmc n GLY 51 Ca 0.04 -0.23 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 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 0.13 2.26 -0.76 1.61 -0.14 -1.25 -5.09 119.74 116.49 2jmc s LYS 52 Ca 0.00 -1.98 -0.02 0.00 -1.36 0.00 0.00 55.97 52.61 2jmc s LYS 52 Cb 0.00 -1.99 0.19 0.00 -1.68 0.00 0.00 37.83 34.35 2jmc s LYS 52 CO 0.00 -0.38 0.62 -1.21 -0.76 0.00 0.00 175.35 173.62 2jmc s GLU 53 N -4.08 2.94 0.13 1.68 8.01 -1.26 -4.81 118.70 121.30 2jmc s GLU 53 Ca 0.33 -2.93 0.09 0.00 0.01 0.00 0.00 54.97 52.47 2jmc s GLU 53 Cb 0.00 -3.85 -0.04 0.00 -4.31 0.00 0.00 34.13 25.94 2jmc s GLU 53 CO 0.19 -1.23 -0.22 -0.48 0.01 0.00 0.00 175.26 173.53 2jmc s LEU 54 N -0.75 2.34 -0.04 1.80 0.05 -1.26 0.00 118.68 120.82 2jmc s LEU 54 Ca 0.22 -0.75 -0.02 0.00 0.05 0.00 0.00 54.13 53.63 2jmc s LEU 54 Cb -0.13 -1.00 0.03 0.00 -2.05 0.00 0.00 46.19 43.05 2jmc s LEU 54 CO -0.08 0.08 0.07 0.68 -0.55 0.00 0.00 176.35 176.55 2jmc s VAL 55 N -1.33 -0.12 0.55 1.48 -7.23 -1.12 -2.65 120.40 109.98 2jmc s VAL 55 Ca 0.11 0.36 -0.15 0.00 -1.81 0.00 0.00 61.98 60.50 2jmc s VAL 55 Cb -0.09 -0.16 -0.06 0.00 0.56 0.00 0.00 36.38 36.62 2jmc s VAL 55 CO 0.06 0.15 1.01 -0.22 -0.31 0.00 0.00 175.10 175.78 2jmc s LEU 56 N 1.93 3.51 -0.40 1.32 0.20 0.32 -2.45 118.68 123.11 2jmc s LEU 56 Ca 0.01 1.56 -0.17 0.00 0.69 0.00 0.00 54.13 56.23 2jmc s LEU 56 Cb -0.12 -4.50 0.01 0.00 -0.43 0.00 0.00 46.19 41.15 2jmc s LEU 56 CO -0.04 -0.74 0.42 0.00 -0.29 0.00 0.00 176.35 175.70 2jmc s ALA 57 N -2.74 3.45 0.10 5.97 0.00 0.77 -1.21 121.76 128.09 2jmc s ALA 57 Ca 0.58 -1.44 -0.02 0.00 0.00 0.00 0.00 51.96 51.09 2jmc s ALA 57 Cb -0.11 -2.99 -0.20 0.00 0.00 0.00 0.00 23.12 19.81 2jmc s ALA 57 CO 0.38 -1.46 1.22 -0.07 0.00 0.00 0.00 175.76 175.83 2jmc h LEU 58 N 8.97 0.37 -9.41 0.00 3.38 0.83 -0.28 115.31 119.18 2jmc h LEU 58 Ca -0.27 -0.37 -0.53 0.00 0.09 0.00 0.00 57.88 56.80 2jmc h LEU 58 Cb 1.12 -0.12 -0.14 0.00 0.09 0.00 0.00 40.66 41.61 2jmc h LEU 58 CO 0.77 1.25 -0.59 -0.31 0.09 0.00 0.00 178.44 179.65 2jmc s TYR 59 N -2.84 2.07 -0.06 1.13 2.02 -0.74 -4.59 117.35 114.34 2jmc s TYR 59 Ca -0.04 -0.93 -0.21 0.00 -0.37 0.00 0.00 57.07 55.53 2jmc s TYR 59 Cb 0.08 -1.41 -0.04 0.00 -0.40 0.00 0.00 41.96 40.19 2jmc s TYR 59 CO 0.87 0.09 0.61 0.34 -1.57 0.00 0.00 175.55 175.89 2jmc s ASP 60 N -3.58 6.91 -0.01 2.29 2.15 -1.23 -3.46 116.67 119.74 2jmc s ASP 60 Ca 0.33 1.09 -0.10 0.00 0.43 0.00 0.00 52.55 54.29 2jmc s ASP 60 Cb 0.08 -2.36 0.01 0.00 -0.30 0.00 0.00 42.92 40.34 2jmc s ASP 60 CO 0.15 -0.01 0.20 -0.47 -0.17 0.00 0.00 175.17 174.88 2jmc s TYR 61 N 0.40 -0.05 -0.02 -5.34 6.14 0.20 -4.96 117.35 113.72 2jmc s TYR 61 Ca 0.32 0.04 0.02 0.00 0.64 0.00 0.00 57.07 58.09 2jmc s TYR 61 Cb -0.17 0.01 0.01 0.00 0.42 0.00 0.00 41.96 42.22 2jmc s TYR 61 CO 0.16 -0.32 -0.06 -0.65 0.64 0.00 0.00 175.55 175.32 2jmc s GLN 62 N -1.29 0.70 0.08 4.97 -1.52 -1.26 -0.82 119.66 120.51 2jmc s GLN 62 Ca -0.14 -0.20 0.05 0.00 -1.95 0.00 0.00 55.36 53.12 2jmc s GLN 62 Cb -0.06 -0.68 -0.03 0.00 -0.22 0.00 0.00 33.01 32.01 2jmc s GLN 62 CO 0.02 0.07 -0.13 -2.00 -0.25 0.00 0.00 175.29 173.00 2jmc s GLU 63 N 0.25 0.82 -0.25 2.91 -6.30 0.74 -4.98 118.70 111.89 2jmc s GLU 63 Ca -0.03 -0.99 0.01 0.00 -2.50 0.00 0.00 54.97 51.46 2jmc s GLU 63 Cb -0.08 -0.76 0.06 0.00 0.00 0.00 0.00 34.13 33.36 2jmc s GLU 63 CO 0.00 0.16 -0.05 0.45 0.02 0.00 0.00 175.26 175.84 2jmc s SER 64 N -1.88 4.07 0.23 -1.70 0.15 -1.26 -2.64 113.70 110.67 2jmc s SER 64 Ca -0.01 -1.33 0.00 0.00 0.70 0.00 0.00 55.95 55.32 2jmc s SER 64 Cb -0.09 -1.29 0.00 0.00 -1.71 0.00 0.00 66.02 62.93 2jmc s SER 64 CO 0.02 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.83 2jmc n GLY 65 N 4.59 -5.30 2.76 9.45 0.00 0.64 -4.52 105.19 112.81 2jmc n GLY 65 Ca -0.11 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 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 1.88 0.35 -4.27 1.61 5.75 -1.19 -4.78 116.55 115.90 2jmc n ASP 66 Ca 0.00 0.27 -0.25 0.00 -0.01 0.00 0.00 54.79 54.79 2jmc n ASP 66 Cb 0.00 -0.74 -0.14 0.00 -1.03 0.00 0.00 41.12 39.22 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 6.52 2.54 0.35 -1.12 0.02 -1.26 -4.90 114.94 117.09 2jmc s ASN 67 Ca 1.06 -0.57 -0.27 0.00 -1.02 0.00 0.00 52.86 52.05 2jmc s ASN 67 Cb -1.07 -0.19 -0.09 0.00 0.02 0.00 0.00 41.25 39.91 2jmc s ASN 67 CO 0.44 0.14 1.24 0.00 0.02 0.00 0.00 177.10 178.94 2jmc s ALA 68 N -0.90 3.36 -0.02 0.60 0.00 -1.26 -3.95 121.76 119.60 2jmc s ALA 68 Ca 0.08 1.14 -0.24 0.00 0.00 0.00 0.00 51.96 52.93 2jmc s ALA 68 Cb -0.09 -3.44 -0.17 0.00 0.00 0.00 0.00 23.12 19.42 2jmc s ALA 68 CO 0.02 -0.58 1.10 -1.00 0.00 0.00 0.00 175.76 175.30 2jmc h PRO 69 N 3.13 -0.24 0.00 0.00 0.13 -2.00 -3.46 132.00 129.56 2jmc h PRO 69 Ca -0.49 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2jmc h PRO 69 Cb 1.23 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2jmc h PRO 69 CO 0.64 0.15 0.00 0.45 -0.23 0.00 0.00 178.00 179.01 2jmc n SER 70 N -4.99 0.00 -4.83 1.44 2.88 -1.26 -4.77 113.62 102.08 2jmc n SER 70 Ca -0.09 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.21 2jmc n SER 70 Cb 0.26 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.79 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 2.50 0.86 0.66 -0.85 -1.26 -5.07 117.35 114.19 2jmc s TYR 71 Ca 0.00 0.12 -0.11 0.00 -0.52 0.00 0.00 57.07 56.57 2jmc s TYR 71 Cb 0.00 -3.07 0.11 0.00 0.38 0.00 0.00 41.96 39.38 2jmc s TYR 71 CO 0.00 -1.40 1.10 -1.54 -1.52 0.00 0.00 175.55 172.20 2jmc s SER 72 N -4.56 3.60 0.66 -0.18 1.04 -1.26 -5.00 113.70 108.00 2jmc s SER 72 Ca 0.62 1.86 -0.15 0.00 0.48 0.00 0.00 55.95 58.76 2jmc s SER 72 Cb -0.09 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2jmc s SER 72 CO 0.43 -2.61 1.11 -2.16 0.98 0.00 0.00 173.24 170.99 2jmc s PRO 73 N -4.80 2.79 0.67 4.02 0.04 -1.26 -5.02 135.00 131.44 2jmc s PRO 73 Ca 0.64 1.39 -0.14 0.00 0.04 0.00 0.00 61.00 62.92 2jmc s PRO 73 Cb -0.19 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.40 2jmc s PRO 73 CO 0.57 -1.26 1.11 -1.25 0.04 0.00 0.00 177.00 176.21 2jmc s PRO 74 N -4.11 2.72 0.03 0.56 0.04 -1.26 -4.98 135.00 128.01 2jmc s PRO 74 Ca 0.67 1.36 -0.30 0.00 0.04 0.00 0.00 61.00 62.76 2jmc s PRO 74 Cb -0.20 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.33 2jmc s PRO 74 CO 0.42 -1.30 1.42 -1.25 0.04 0.00 0.00 177.00 176.32 2jmc s PRO 75 N -4.21 4.28 1.01 0.56 0.04 -1.26 -4.98 135.00 130.45 2jmc s PRO 75 Ca 0.66 2.02 -0.12 0.00 0.04 0.00 0.00 61.00 63.60 2jmc s PRO 75 Cb -0.20 -3.51 0.20 0.00 0.04 0.00 0.00 34.50 31.03 2jmc s PRO 75 CO 0.43 -0.56 1.09 -1.25 0.04 0.00 0.00 177.00 176.76 2jmc s PRO 76 N 2.15 0.32 0.00 0.56 0.04 -1.26 -5.16 135.00 131.65 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 -0.33 -1.73 0.93 0.00 0.04 0.00 0.00 34.50 33.41 2jmc s PRO 76 CO 0.28 -2.80 1.34 -0.35 0.04 0.00 0.00 177.00 175.51