#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jm3 n SER 2 N 0.00 4.16 -3.95 1.61 7.64 -1.26 -4.98 113.62 116.83 2jm3 n SER 2 Ca 0.00 -0.01 -0.25 0.00 1.01 0.00 0.00 58.87 59.62 2jm3 n SER 2 Cb 0.00 1.15 -0.17 0.00 -1.01 0.00 0.00 64.21 64.18 2jm3 n SER 2 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2jm3 s MET 3 N -2.21 1.47 -0.31 1.43 -2.45 -1.26 -5.09 119.30 110.88 2jm3 s MET 3 Ca -0.01 -0.29 -0.31 0.00 -1.25 0.00 0.00 55.69 53.83 2jm3 s MET 3 Cb 0.02 -1.37 -0.08 0.00 1.25 0.00 0.00 34.83 34.65 2jm3 s MET 3 CO 0.14 -0.11 2.24 -0.35 1.05 0.00 0.00 175.02 177.99 2jm3 n PRO 4 N 4.30 1.48 -2.72 4.11 -0.04 -1.26 -4.88 135.00 135.99 2jm3 n PRO 4 Ca -0.19 0.37 -0.43 0.00 -0.04 0.00 0.00 63.50 63.22 2jm3 n PRO 4 Cb 0.51 -2.91 -0.01 0.00 -0.04 0.00 0.00 33.50 31.05 2jm3 n PRO 4 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2jm3 s THR 5 N 8.32 4.40 0.01 0.52 2.01 -1.26 -4.98 115.64 124.65 2jm3 s THR 5 Ca 1.05 -1.79 -0.30 0.00 0.31 0.00 0.00 61.69 60.96 2jm3 s THR 5 Cb -0.55 -5.03 -0.05 0.00 0.01 0.00 0.00 72.50 66.88 2jm3 s THR 5 CO 0.40 -1.83 1.20 -0.89 -0.69 0.00 0.00 174.62 172.82 2jm3 s THR 6 N 3.49 4.13 0.41 -0.82 2.01 -1.26 -4.99 115.64 118.61 2jm3 s THR 6 Ca 0.46 1.50 -0.25 0.00 0.31 0.00 0.00 61.69 63.72 2jm3 s THR 6 Cb 0.00 -3.97 -0.08 0.00 0.01 0.00 0.00 72.50 68.46 2jm3 s THR 6 CO -0.01 0.06 1.16 0.00 -0.69 0.00 0.00 174.62 175.14 2jm3 n GLY 8 N 0.57 1.29 3.73 0.00 0.00 -0.39 -4.83 105.19 105.57 2jm3 n GLY 8 Ca 0.05 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 2jm3 n GLY 8 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jm3 s PHE 9 N -1.61 3.76 0.31 1.61 5.36 -1.26 -4.94 117.98 121.21 2jm3 s PHE 9 Ca 0.36 1.62 0.38 0.00 -0.96 0.00 0.00 56.93 58.33 2jm3 s PHE 9 Cb 0.21 -2.94 1.77 0.00 -0.34 0.00 0.00 43.02 41.72 2jm3 s PHE 9 CO 0.30 0.21 2.13 -1.00 -1.46 0.00 0.00 175.22 175.41 2jm3 h PRO 10 N 5.77 0.00 -2.04 10.12 0.13 -1.92 -3.30 132.00 140.75 2jm3 h PRO 10 Ca -0.43 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.13 2jm3 h PRO 10 Cb 1.21 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.95 2jm3 h PRO 10 CO 0.72 0.00 -1.06 -1.71 -0.23 0.00 0.00 178.00 175.72 2jm3 n ASN 11 N -3.09 0.39 -4.51 1.44 2.85 -1.26 -5.03 115.26 106.05 2jm3 n ASN 11 Ca -0.01 -2.73 -0.43 0.00 -0.11 0.00 0.00 54.58 51.31 2jm3 n ASN 11 Cb 0.22 -0.64 -0.02 0.00 1.24 0.00 0.00 39.78 40.58 2jm3 n ASN 11 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jm3 n LYS 13 N 7.49 1.24 -0.05 0.00 2.85 -1.26 -3.73 118.16 124.71 2jm3 n LYS 13 Ca 0.33 -0.64 -0.04 0.00 -1.05 0.00 0.00 58.31 56.91 2jm3 n LYS 13 Cb 0.48 -1.49 -0.01 0.00 -0.65 0.00 0.00 35.03 33.36 2jm3 n LYS 13 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2jm3 n PHE 14 N -0.32 0.43 -0.12 5.58 3.72 -1.26 -3.74 117.46 121.75 2jm3 n PHE 14 Ca 0.17 0.19 0.09 0.00 -0.05 0.00 0.00 57.45 57.85 2jm3 n PHE 14 Cb 0.32 -0.51 0.43 0.00 -0.94 0.00 0.00 39.48 38.78 2jm3 n PHE 14 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 2jm3 h ARG 15 N -0.63 0.55 -0.00 -1.08 2.43 -1.87 0.10 114.38 113.88 2jm3 h ARG 15 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2jm3 h ARG 15 Cb 0.40 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2jm3 h ARG 15 CO 0.00 0.36 -0.04 0.43 -1.51 0.00 0.00 179.97 179.21 2jm3 n SER 16 N -4.48 0.29 0.10 -3.80 7.64 -1.24 -3.29 113.62 108.83 2jm3 n SER 16 Ca 0.10 -0.68 0.10 0.00 1.01 0.00 0.00 58.87 59.40 2jm3 n SER 16 Cb 0.30 -0.10 -0.00 0.00 -1.01 0.00 0.00 64.21 63.40 2jm3 n SER 16 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2jm3 h ARG 17 N 0.40 0.00 -5.36 1.43 2.43 -0.87 -3.46 114.38 108.95 2jm3 h ARG 17 Ca 0.00 0.00 -0.62 0.00 -0.81 0.00 0.00 59.98 58.55 2jm3 h ARG 17 Cb 0.24 0.00 -0.16 0.00 -0.42 0.00 0.00 29.97 29.63 2jm3 h ARG 17 CO 0.00 0.04 -0.57 0.71 -1.51 0.00 0.00 179.97 178.64 2jm3 s TYR 18 N -3.30 3.25 0.04 2.20 1.51 -1.21 -5.04 117.35 114.80 2jm3 s TYR 18 Ca -0.00 0.08 -0.30 0.00 -1.01 0.00 0.00 57.07 55.84 2jm3 s TYR 18 Cb 0.09 -2.04 -0.09 0.00 -0.11 0.00 0.00 41.96 39.81 2jm3 s TYR 18 CO 0.79 0.20 1.98 1.03 -1.11 0.00 0.00 175.55 178.44 2jm3 s ARG 19 N 0.19 4.13 0.00 -0.62 3.00 -1.26 -0.76 118.95 123.62 2jm3 s ARG 19 Ca 0.04 2.62 0.00 0.00 0.00 0.00 0.00 55.73 58.39 2jm3 s ARG 19 Cb -0.12 -4.17 0.00 0.00 0.00 0.00 0.00 34.95 30.66 2jm3 s ARG 19 CO 0.01 -0.97 0.00 0.41 0.00 0.00 0.00 175.30 174.75 2jm3 n GLY 20 N 4.57 1.79 3.77 -3.53 0.00 -1.26 -4.79 105.19 105.74 2jm3 n GLY 20 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 2jm3 n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jm3 n LEU 21 N 0.00 -2.91 -0.06 0.99 4.32 0.06 -4.88 117.00 114.52 2jm3 n LEU 21 Ca 0.00 -0.81 0.01 0.00 -0.02 0.00 0.00 56.01 55.19 2jm3 n LEU 21 Cb 0.00 -2.62 0.01 0.00 -1.62 0.00 0.00 43.42 39.19 2jm3 n LEU 21 CO 0.00 0.43 0.45 -0.62 -1.22 0.00 0.00 177.39 176.44 2jm3 n GLU 22 N -4.42 2.04 0.00 3.23 1.02 -1.25 -4.87 120.64 116.38 2jm3 n GLU 22 Ca -0.19 -1.31 0.00 0.00 -0.02 0.00 0.00 57.16 55.64 2jm3 n GLU 22 Cb 0.63 -1.03 0.00 0.00 -0.02 0.00 0.00 31.44 31.02 2jm3 n GLU 22 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2jm3 n ASP 23 N -0.28 0.00 -0.20 1.62 2.03 -1.24 -3.61 116.55 114.87 2jm3 n ASP 23 Ca 0.01 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.29 2jm3 n ASP 23 Cb 0.21 -0.10 -0.01 0.00 -0.72 0.00 0.00 41.12 40.50 2jm3 n ASP 23 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2jm3 n ASN 24 N 0.31 -3.95 -1.23 1.67 5.15 -1.26 -4.78 115.26 111.17 2jm3 n ASN 24 Ca 0.00 0.06 0.00 0.00 -0.60 0.00 0.00 54.58 54.04 2jm3 n ASN 24 Cb 0.00 -1.67 0.00 0.00 -0.53 0.00 0.00 39.78 37.58 2jm3 n ASN 24 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2jm3 n ARG 25 N -2.08 1.17 -3.38 1.20 1.74 -1.24 -5.15 116.66 108.92 2jm3 n ARG 25 Ca -0.03 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.73 2jm3 n ARG 25 Cb 0.19 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.58 2jm3 n ARG 25 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2jm3 s HIS 26 N -1.23 3.45 -0.28 -1.55 5.65 -1.26 -4.93 115.29 115.13 2jm3 s HIS 26 Ca 0.00 0.94 -0.10 0.00 0.25 0.00 0.00 55.06 56.15 2jm3 s HIS 26 Cb 0.00 -2.30 -0.03 0.00 -1.18 0.00 0.00 32.58 29.07 2jm3 s HIS 26 CO 0.00 0.28 0.15 -0.06 -0.65 0.00 0.00 174.74 174.46 2jm3 s PHE 27 N -1.78 3.17 0.31 3.88 0.40 -1.26 -1.57 117.98 121.13 2jm3 s PHE 27 Ca 0.46 -0.22 -0.10 0.00 -0.60 0.00 0.00 56.93 56.47 2jm3 s PHE 27 Cb -0.12 -2.34 -0.07 0.00 0.51 0.00 0.00 43.02 41.00 2jm3 s PHE 27 CO 0.20 -0.30 0.66 0.71 0.70 0.00 0.00 175.22 177.19 2jm3 s TYR 28 N 1.68 3.43 0.55 0.36 2.02 0.99 -4.91 117.35 121.47 2jm3 s TYR 28 Ca 0.06 0.97 0.00 0.00 -0.37 0.00 0.00 57.07 57.74 2jm3 s TYR 28 Cb -0.16 -2.35 0.03 0.00 -0.40 0.00 0.00 41.96 39.07 2jm3 s TYR 28 CO 0.08 0.11 0.78 1.03 -1.57 0.00 0.00 175.55 175.98 2jm3 s ARG 29 N -3.24 2.61 -0.38 -0.62 1.81 -1.26 -2.41 118.95 115.45 2jm3 s ARG 29 Ca 0.50 -0.67 -0.28 0.00 -1.72 0.00 0.00 55.73 53.55 2jm3 s ARG 29 Cb -0.11 -2.47 0.02 0.00 -0.45 0.00 0.00 34.95 31.95 2jm3 s ARG 29 CO 0.24 -0.69 1.07 0.42 -0.68 0.00 0.00 175.30 175.67 2jm3 s ILE 30 N -2.77 4.42 0.42 1.52 1.01 -1.26 -4.90 121.20 119.62 2jm3 s ILE 30 Ca 0.56 1.47 -0.25 0.00 0.00 0.00 0.00 60.65 62.43 2jm3 s ILE 30 Cb -0.10 -4.47 -0.10 0.00 0.01 0.00 0.00 42.46 37.80 2jm3 s ILE 30 CO 0.39 -0.68 1.18 -2.65 0.00 0.00 0.00 174.94 173.19 2jm3 n PRO 31 N 7.19 1.72 -0.07 2.79 -0.02 -1.26 -4.93 135.00 140.43 2jm3 n PRO 31 Ca 0.11 0.61 0.03 0.00 -2.02 0.00 0.00 63.50 62.23 2jm3 n PRO 31 Cb 0.48 -2.26 0.04 0.00 -0.02 0.00 0.00 33.50 31.74 2jm3 n PRO 31 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2jm3 n LYS 32 N 0.07 1.75 -3.61 -0.52 0.00 -1.26 -4.23 118.16 110.36 2jm3 n LYS 32 Ca 0.08 -1.59 -0.26 0.00 -0.00 0.00 0.00 58.31 56.54 2jm3 n LYS 32 Cb 0.39 -1.01 -0.17 0.00 -0.00 0.00 0.00 35.03 34.24 2jm3 n LYS 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2jm3 s ARG 33 N -1.26 0.06 0.89 -1.58 3.52 -1.26 -3.92 118.95 115.39 2jm3 s ARG 33 Ca 0.09 -0.07 -0.10 0.00 -0.13 0.00 0.00 55.73 55.52 2jm3 s ARG 33 Cb 0.08 -1.80 0.19 0.00 -1.56 0.00 0.00 34.95 31.86 2jm3 s ARG 33 CO 0.01 -0.66 1.22 -1.25 -0.81 0.00 0.00 175.30 173.81 2jm3 s PRO 34 N 2.14 0.84 0.34 5.12 0.04 -1.26 -4.89 135.00 137.34 2jm3 s PRO 34 Ca 0.02 -0.79 0.10 0.00 0.04 0.00 0.00 61.00 60.37 2jm3 s PRO 34 Cb -0.16 -2.02 0.63 0.00 0.04 0.00 0.00 34.50 32.99 2jm3 s PRO 34 CO -0.09 -2.17 1.79 1.25 0.04 0.00 0.00 177.00 177.82 2jm3 h LEU 35 N -1.30 0.12 -0.94 -3.56 6.46 -1.93 -2.51 115.31 111.65 2jm3 h LEU 35 Ca -0.40 -0.04 -0.06 0.00 -0.12 0.00 0.00 57.88 57.26 2jm3 h LEU 35 Cb 1.23 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 41.11 2jm3 h LEU 35 CO 0.35 0.47 0.12 0.40 -0.62 0.00 0.00 178.44 179.16 2jm3 h ILE 36 N 0.10 1.24 -0.46 4.05 1.08 -1.96 0.25 117.51 121.80 2jm3 h ILE 36 Ca 0.01 -0.88 -0.10 0.00 -0.39 0.00 0.00 64.86 63.50 2jm3 h ILE 36 Cb 0.68 0.66 -0.01 0.00 -3.07 0.00 0.00 36.82 35.08 2jm3 h ILE 36 CO 0.05 0.33 -0.12 0.25 -0.69 0.00 0.00 178.15 177.97 2jm3 h LEU 37 N 0.86 0.91 -0.76 1.44 5.85 -1.82 -0.95 115.31 120.84 2jm3 h LEU 37 Ca 0.18 -0.36 -0.05 0.00 0.84 0.00 0.00 57.88 58.49 2jm3 h LEU 37 Cb 0.33 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 2jm3 h LEU 37 CO 0.00 1.06 0.29 -0.09 -0.34 0.00 0.00 178.44 179.37 2jm3 h ARG 38 N 0.74 1.15 -0.79 1.25 2.43 -1.02 -0.31 114.38 117.84 2jm3 h ARG 38 Ca 0.12 -0.21 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 2jm3 h ARG 38 Cb 0.67 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 30.00 2jm3 h ARG 38 CO 0.05 0.94 0.36 0.37 -1.51 0.00 0.00 179.97 180.17 2jm3 h GLN 39 N 1.11 1.14 0.00 0.20 4.15 -0.31 -2.12 115.11 119.27 2jm3 h GLN 39 Ca 0.25 -0.17 -0.07 0.00 0.77 0.00 0.00 58.65 59.42 2jm3 h GLN 39 Cb 0.23 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 2jm3 h GLN 39 CO -0.02 0.89 -0.35 0.00 -1.93 0.00 0.00 178.83 177.42 2jm3 h ARG 40 N 1.12 0.00 -0.75 1.69 3.08 -0.68 -3.09 114.38 115.76 2jm3 h ARG 40 Ca 0.27 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.28 2jm3 h ARG 40 Cb 0.14 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 2jm3 h ARG 40 CO -0.03 0.35 0.32 -1.49 -1.07 0.00 0.00 179.97 178.05 2jm3 h TRP 41 N 0.00 1.12 0.00 3.04 4.06 -0.37 -1.71 115.95 122.09 2jm3 h TRP 41 Ca -0.00 -0.08 -0.02 0.00 2.06 0.00 0.00 58.89 60.85 2jm3 h TRP 41 Cb 0.92 -0.34 -0.00 0.00 -1.00 0.00 0.00 29.16 28.74 2jm3 h TRP 41 CO 0.00 0.85 -0.11 -0.07 -3.56 0.00 0.00 178.44 175.55 2jm3 h LEU 42 N 1.07 0.00 -0.77 -4.49 3.38 -1.44 -2.60 115.31 110.45 2jm3 h LEU 42 Ca 0.25 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 2jm3 h LEU 42 Cb 0.18 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2jm3 h LEU 42 CO -0.02 0.11 0.36 0.74 0.09 0.00 0.00 178.44 179.72 2jm3 h THR 43 N 0.00 1.25 -0.48 0.22 2.02 -1.36 0.11 112.91 114.67 2jm3 h THR 43 Ca -0.00 -0.71 -0.08 0.00 0.77 0.00 0.00 66.41 66.38 2jm3 h THR 43 Cb 0.40 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 2jm3 h THR 43 CO 0.01 0.30 -0.02 0.00 0.37 0.00 0.00 175.52 176.18 2jm3 h ALA 44 N 1.18 0.65 0.00 6.16 0.00 -1.46 -2.63 119.26 123.16 2jm3 h ALA 44 Ca 0.26 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jm3 h ALA 44 Cb 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2jm3 h ALA 44 CO -0.03 0.47 -0.12 0.44 0.00 0.00 0.00 179.25 180.01 2jm3 n ILE 45 N -4.32 0.37 -2.78 0.00 -5.35 -1.14 -4.74 119.36 101.39 2jm3 n ILE 45 Ca 0.00 -0.19 -0.11 0.00 -0.27 0.00 0.00 62.75 62.18 2jm3 n ILE 45 Cb 0.33 -0.44 0.03 0.00 -1.74 0.00 0.00 39.64 37.81 2jm3 n ILE 45 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2jm3 n GLY 46 N 1.37 0.15 0.00 3.28 0.00 0.06 -4.62 105.19 105.43 2jm3 n GLY 46 Ca 0.06 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2jm3 n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jm3 n ARG 47 N -2.46 1.80 -2.86 1.61 1.74 0.15 -5.02 116.66 111.61 2jm3 n ARG 47 Ca -0.03 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.97 2jm3 n ARG 47 Cb 0.55 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.96 2jm3 n ARG 47 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2jm3 n THR 48 N 0.00 0.00 0.38 0.55 -2.24 -1.26 -4.50 114.28 107.21 2jm3 n THR 48 Ca 0.00 -0.98 0.14 0.00 -2.27 0.00 0.00 64.05 60.94 2jm3 n THR 48 Cb 0.00 0.53 0.52 0.00 -2.10 0.00 0.00 70.33 69.28 2jm3 n THR 48 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2jm3 h GLU 49 N 0.00 0.00 -0.01 -0.78 5.08 -1.98 0.55 114.58 117.45 2jm3 h GLU 49 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2jm3 h GLU 49 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2jm3 h GLU 49 CO 0.16 0.00 -0.04 0.39 -1.00 0.00 0.00 179.01 178.52 2jm3 n GLU 50 N -2.57 1.10 0.00 2.33 1.02 -1.26 -4.16 120.64 117.11 2jm3 n GLU 50 Ca 0.02 -0.38 0.00 0.00 -0.02 0.00 0.00 57.16 56.78 2jm3 n GLU 50 Cb 0.30 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 2jm3 n GLU 50 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2jm3 n THR 51 N -0.62 0.00 -2.77 2.62 -2.24 -0.68 -4.93 114.28 105.66 2jm3 n THR 51 Ca 0.19 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.54 2jm3 n THR 51 Cb 0.24 -0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.19 2jm3 n THR 51 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2jm3 s VAL 52 N -1.49 4.47 0.00 2.28 1.01 0.18 -4.85 120.40 122.01 2jm3 s VAL 52 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 61.98 60.29 2jm3 s VAL 52 Cb 0.00 -4.97 0.00 0.00 0.00 0.00 0.00 36.38 31.41 2jm3 s VAL 52 CO 0.00 -1.75 0.00 1.33 0.00 0.00 0.00 175.10 174.68 2jm3 n VAL 53 N 5.82 0.00 0.02 2.92 0.24 -1.26 -4.71 118.33 121.36 2jm3 n VAL 53 Ca 0.34 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.54 2jm3 n VAL 53 Cb 0.47 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.79 2jm3 n VAL 53 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2jm3 h SER 54 N 0.00 -0.16 -0.53 -1.34 0.02 -1.97 -3.00 113.55 106.58 2jm3 h SER 54 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2jm3 h SER 54 Cb 0.00 0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2jm3 h SER 54 CO 0.00 -0.07 0.00 0.00 -1.14 0.00 0.00 176.83 175.62 2jm3 n GLN 55 N -5.17 2.51 -3.39 3.45 1.13 -1.26 -4.82 117.38 109.82 2jm3 n GLN 55 Ca -0.05 -2.02 -0.41 0.00 -1.94 0.00 0.00 57.00 52.58 2jm3 n GLN 55 Cb 0.10 -1.52 -0.09 0.00 0.11 0.00 0.00 30.24 28.84 2jm3 n GLN 55 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2jm3 s LEU 56 N -1.16 4.58 0.16 1.08 0.20 -1.13 -4.62 118.68 117.78 2jm3 s LEU 56 Ca 0.37 -0.38 0.09 0.00 0.69 0.00 0.00 54.13 54.90 2jm3 s LEU 56 Cb 0.21 -2.33 -0.04 0.00 -0.43 0.00 0.00 46.19 43.60 2jm3 s LEU 56 CO 0.23 -0.39 -0.20 -0.13 -0.29 0.00 0.00 176.35 175.56 2jm3 s ARG 57 N 2.01 1.30 -0.06 1.98 1.81 -1.18 -4.68 118.95 120.12 2jm3 s ARG 57 Ca 0.11 -1.38 0.03 0.00 -1.72 0.00 0.00 55.73 52.77 2jm3 s ARG 57 Cb -0.17 -1.47 0.01 0.00 -0.45 0.00 0.00 34.95 32.87 2jm3 s ARG 57 CO 0.12 0.31 -0.16 0.42 -0.68 0.00 0.00 175.30 175.32 2jm3 s ILE 58 N -1.75 1.37 0.67 1.52 -1.09 -1.01 -1.27 121.20 119.65 2jm3 s ILE 58 Ca 0.15 -0.64 -0.15 0.00 -2.23 0.00 0.00 60.65 57.78 2jm3 s ILE 58 Cb -0.07 -1.21 0.01 0.00 -1.58 0.00 0.00 42.46 39.60 2jm3 s ILE 58 CO 0.07 0.40 1.11 0.00 -1.23 0.00 0.00 174.94 175.30 2jm3 n SER 60 N -2.55 0.50 0.06 0.00 3.41 -0.61 -2.79 113.62 111.65 2jm3 n SER 60 Ca 0.10 0.49 0.10 0.00 -0.26 0.00 0.00 58.87 59.30 2jm3 n SER 60 Cb 0.52 -0.59 0.41 0.00 -0.26 0.00 0.00 64.21 64.29 2jm3 n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jm3 n ALA 61 N -1.68 1.74 1.61 7.33 0.00 -1.26 -2.31 120.51 125.95 2jm3 n ALA 61 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.52 2jm3 n ALA 61 Cb 0.40 -1.33 0.05 0.00 0.00 0.00 0.00 19.45 18.57 2jm3 n ALA 61 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2jm3 n HIS 62 N -1.84 0.16 -4.30 0.00 -0.00 -1.12 -4.73 115.22 103.39 2jm3 n HIS 62 Ca 0.03 -0.08 -0.21 0.00 -0.00 0.00 0.00 57.72 57.46 2jm3 n HIS 62 Cb 0.22 -0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.09 2jm3 n HIS 62 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 2jm3 s PHE 63 N -1.83 1.72 -0.22 4.41 0.40 -0.98 -0.06 117.98 121.42 2jm3 s PHE 63 Ca 0.08 -0.48 -0.28 0.00 -0.60 0.00 0.00 56.93 55.64 2jm3 s PHE 63 Cb 0.04 -0.88 -0.04 0.00 0.51 0.00 0.00 43.02 42.65 2jm3 s PHE 63 CO 0.05 0.26 1.98 -1.21 0.70 0.00 0.00 175.22 177.00 2jm3 s GLU 64 N -2.60 3.40 0.00 0.44 0.41 -1.26 -2.98 118.70 116.11 2jm3 s GLU 64 Ca 0.12 1.86 0.00 0.00 -0.41 0.00 0.00 54.97 56.55 2jm3 s GLU 64 Cb -0.06 -4.25 0.00 0.00 -1.78 0.00 0.00 34.13 28.04 2jm3 s GLU 64 CO 0.05 -1.78 0.00 0.41 -0.49 0.00 0.00 175.26 173.45 2jm3 n GLY 65 N 5.36 1.54 0.00 -1.39 0.00 -1.26 -4.02 105.19 105.42 2jm3 n GLY 65 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2jm3 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jm3 n GLY 66 N 0.00 1.53 3.54 -0.02 0.00 -1.16 -4.89 105.19 104.19 2jm3 n GLY 66 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2jm3 n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jm3 s GLU 67 N -0.14 3.84 -0.77 1.61 2.02 -1.26 -4.93 118.70 119.08 2jm3 s GLU 67 Ca 0.00 -0.38 -0.13 0.00 0.02 0.00 0.00 54.97 54.47 2jm3 s GLU 67 Cb 0.00 -3.51 0.20 0.00 0.10 0.00 0.00 34.13 30.92 2jm3 s GLU 67 CO 0.00 -0.16 0.70 0.21 0.02 0.00 0.00 175.26 176.03 2jm3 s LYS 68 N 1.63 3.42 0.00 1.61 2.47 -1.26 -4.88 119.74 122.73 2jm3 s LYS 68 Ca 0.07 -2.35 0.00 0.00 -1.56 0.00 0.00 55.97 52.13 2jm3 s LYS 68 Cb -0.15 -4.35 0.00 0.00 -1.46 0.00 0.00 37.83 31.87 2jm3 s LYS 68 CO 0.07 -1.29 0.00 1.17 0.16 0.00 0.00 175.35 175.47 2jm3 n LYS 69 N 4.13 0.00 -3.26 4.03 0.00 -1.26 -5.07 118.16 116.73 2jm3 n LYS 69 Ca 0.09 0.00 0.03 0.00 0.00 0.00 0.00 58.31 58.43 2jm3 n LYS 69 Cb 0.45 -0.47 -0.03 0.00 0.00 0.00 0.00 35.03 34.99 2jm3 n LYS 69 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2jm3 s GLU 70 N -1.00 0.21 0.00 1.64 2.12 -1.26 -4.95 118.70 115.47 2jm3 s GLU 70 Ca 0.00 0.47 0.00 0.00 0.36 0.00 0.00 54.97 55.80 2jm3 s GLU 70 Cb 0.00 0.27 0.00 0.00 0.26 0.00 0.00 34.13 34.66 2jm3 s GLU 70 CO 0.00 -0.14 0.00 0.41 -0.54 0.00 0.00 175.26 174.99 2jm3 n GLY 71 N 5.10 0.38 3.66 -1.50 0.00 -1.26 -4.81 105.19 106.77 2jm3 n GLY 71 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 2jm3 n GLY 71 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2jm3 s ASP 72 N -2.60 7.05 -0.02 1.61 1.47 -1.26 -0.02 116.67 122.90 2jm3 s ASP 72 Ca 0.00 1.54 -0.00 0.00 1.18 0.00 0.00 52.55 55.27 2jm3 s ASP 72 Cb 0.00 -2.54 -0.04 0.00 -0.34 0.00 0.00 42.92 40.00 2jm3 s ASP 72 CO 0.00 -0.68 0.03 -0.63 0.68 0.00 0.00 175.17 174.58 2jm3 s ILE 73 N 3.13 4.43 0.88 2.11 1.01 -0.57 -4.98 121.20 127.21 2jm3 s ILE 73 Ca 0.49 -0.45 -0.11 0.00 0.00 0.00 0.00 60.65 60.58 2jm3 s ILE 73 Cb -0.19 -2.97 0.12 0.00 0.01 0.00 0.00 42.46 39.43 2jm3 s ILE 73 CO 0.11 0.42 1.09 -2.16 0.00 0.00 0.00 174.94 174.40 2jm3 s PRO 74 N -1.48 1.39 0.05 2.79 0.04 -1.26 -4.25 135.00 132.28 2jm3 s PRO 74 Ca 0.19 0.87 -0.02 0.00 0.04 0.00 0.00 61.00 62.09 2jm3 s PRO 74 Cb -0.12 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 2jm3 s PRO 74 CO 0.10 -2.16 -0.01 0.14 0.04 0.00 0.00 177.00 175.11 2jm3 s VAL 75 N -2.93 0.20 0.37 -0.36 -7.23 0.92 -4.53 120.40 106.84 2jm3 s VAL 75 Ca 0.63 -1.68 0.26 0.00 -1.81 0.00 0.00 61.98 59.39 2jm3 s VAL 75 Cb -0.18 -1.40 0.28 0.00 0.56 0.00 0.00 36.38 35.64 2jm3 s VAL 75 CO 0.57 -0.93 2.03 1.55 -0.31 0.00 0.00 175.10 178.01 2jm3 h PRO 76 N 3.23 0.00 -0.22 4.82 0.13 -1.85 -3.42 132.00 134.69 2jm3 h PRO 76 Ca -0.34 0.00 0.25 0.00 -0.87 0.00 0.00 66.00 65.04 2jm3 h PRO 76 Cb 1.15 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.08 2jm3 h PRO 76 CO 0.63 0.14 0.15 0.34 -0.23 0.00 0.00 178.00 179.03 2jm3 s ASP 77 N -6.20 -0.32 0.20 1.44 -1.08 -1.26 -4.71 116.67 104.74 2jm3 s ASP 77 Ca -0.02 0.15 0.17 0.00 -0.52 0.00 0.00 52.55 52.33 2jm3 s ASP 77 Cb 0.13 1.25 0.82 0.00 -1.46 0.00 0.00 42.92 43.66 2jm3 s ASP 77 CO 0.60 -0.06 1.53 -0.81 0.52 0.00 0.00 175.17 176.95 2jm3 n PRO 78 N 5.38 0.11 0.02 4.34 -0.04 -1.26 0.57 135.00 144.12 2jm3 n PRO 78 Ca -0.03 0.49 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 2jm3 n PRO 78 Cb 0.55 -1.78 -0.09 0.00 -0.04 0.00 0.00 33.50 32.14 2jm3 n PRO 78 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2jm3 n THR 79 N -2.00 1.11 -0.09 0.52 -1.04 -1.26 -4.62 114.28 106.90 2jm3 n THR 79 Ca 0.01 -0.69 -0.17 0.00 -2.04 0.00 0.00 64.05 61.16 2jm3 n THR 79 Cb 0.11 -0.66 -0.06 0.00 -1.82 0.00 0.00 70.33 67.91 2jm3 n THR 79 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2jm3 n VAL 80 N -2.83 1.25 -2.71 12.58 0.31 -0.42 -5.04 118.33 121.46 2jm3 n VAL 80 Ca -0.11 -0.11 -0.21 0.00 -0.01 0.00 0.00 64.34 63.90 2jm3 n VAL 80 Cb 0.84 -1.92 0.03 0.00 -0.91 0.00 0.00 33.84 31.88 2jm3 n VAL 80 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2jm3 s ASP 81 N -6.53 5.37 -0.70 4.52 -1.08 0.19 -5.01 116.67 113.42 2jm3 s ASP 81 Ca -0.26 -0.03 -0.27 0.00 -0.52 0.00 0.00 52.55 51.46 2jm3 s ASP 81 Cb 0.08 -0.91 0.03 0.00 -1.46 0.00 0.00 42.92 40.66 2jm3 s ASP 81 CO 0.35 -1.06 1.28 -1.59 0.52 0.00 0.00 175.17 174.67 2jm3 s LYS 82 N -4.70 3.24 -0.39 4.34 0.00 -1.26 -4.49 119.74 116.48 2jm3 s LYS 82 Ca 0.56 -0.12 -0.41 0.00 0.00 0.00 0.00 55.97 56.00 2jm3 s LYS 82 Cb -0.10 -4.15 -0.16 0.00 0.00 0.00 0.00 37.83 33.42 2jm3 s LYS 82 CO 0.38 -2.07 1.98 0.94 0.00 0.00 0.00 175.35 176.58 2jm3 n GLN 83 N 9.19 0.65 -2.96 1.78 -0.06 -1.26 -4.90 117.38 119.82 2jm3 n GLN 83 Ca 0.04 0.21 -0.41 0.00 -2.00 0.00 0.00 57.00 54.84 2jm3 n GLN 83 Cb 0.49 -1.96 -0.05 0.00 -4.06 0.00 0.00 30.24 24.66 2jm3 n GLN 83 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 2jm3 s ILE 84 N 5.36 4.91 0.01 1.69 1.01 -1.26 -5.04 121.20 127.88 2jm3 s ILE 84 Ca 1.09 1.47 0.01 0.00 0.00 0.00 0.00 60.65 63.21 2jm3 s ILE 84 Cb -1.19 -4.07 -0.01 0.00 0.01 0.00 0.00 42.46 37.20 2jm3 s ILE 84 CO 0.63 0.02 -0.03 -1.59 0.00 0.00 0.00 174.94 173.96 2jm3 s LYS 85 N 2.30 0.28 -0.05 2.79 0.00 -1.26 -1.51 119.74 122.28 2jm3 s LYS 85 Ca 0.34 -0.40 -0.12 0.00 0.00 0.00 0.00 55.97 55.79 2jm3 s LYS 85 Cb -0.16 -0.07 -0.05 0.00 0.00 0.00 0.00 37.83 37.55 2jm3 s LYS 85 CO 0.10 0.01 0.31 0.42 0.00 0.00 0.00 175.35 176.19 2jm3 s ILE 86 N -0.82 5.21 -0.53 3.79 1.01 0.97 -4.98 121.20 125.85 2jm3 s ILE 86 Ca -0.08 0.61 -0.28 0.00 0.00 0.00 0.00 60.65 60.91 2jm3 s ILE 86 Cb -0.06 -3.60 -0.00 0.00 0.01 0.00 0.00 42.46 38.80 2jm3 s ILE 86 CO -0.00 0.57 1.62 -1.61 0.00 0.00 0.00 174.94 175.52 2jm3 s GLU 87 N -0.91 3.10 -0.10 2.79 0.41 -1.26 -4.72 118.70 118.01 2jm3 s GLU 87 Ca 0.20 0.69 -0.12 0.00 -0.41 0.00 0.00 54.97 55.34 2jm3 s GLU 87 Cb -0.15 -4.22 -0.05 0.00 -1.78 0.00 0.00 34.13 27.94 2jm3 s GLU 87 CO 0.09 -2.16 0.27 -1.17 -0.49 0.00 0.00 175.26 171.81 2jm3 s LEU 88 N 7.13 4.36 0.67 1.80 2.96 -1.26 -5.09 118.68 129.25 2jm3 s LEU 88 Ca 0.62 0.63 -0.13 0.00 -0.22 0.00 0.00 54.13 55.03 2jm3 s LEU 88 Cb -0.14 -2.33 0.00 0.00 0.50 0.00 0.00 46.19 44.22 2jm3 s LEU 88 CO 0.25 0.27 1.07 -2.16 -1.32 0.00 0.00 176.35 174.46 2jm3 s PRO 89 N -0.48 2.91 0.30 0.98 0.04 -1.26 -4.96 135.00 132.53 2jm3 s PRO 89 Ca 0.18 1.14 0.05 0.00 0.04 0.00 0.00 61.00 62.42 2jm3 s PRO 89 Cb -0.14 -1.98 0.78 0.00 0.04 0.00 0.00 34.50 33.21 2jm3 s PRO 89 CO 0.07 -1.13 1.69 -1.00 0.04 0.00 0.00 177.00 176.66 2jm3 h PRO 90 N -0.31 0.36 0.00 0.56 0.13 -2.05 -3.54 132.00 127.15 2jm3 h PRO 90 Ca -0.45 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2jm3 h PRO 90 Cb 1.22 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2jm3 h PRO 90 CO 0.55 0.24 0.00 1.63 -0.23 0.00 0.00 178.00 180.19