#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 5.99 -3.44 1.61 7.64 -1.26 -4.92 113.62 119.24 2jm3 n SER 2 Ca 0.00 -3.69 -0.14 0.00 1.01 0.00 0.00 58.87 56.05 2jm3 n SER 2 Cb 0.00 -0.87 -0.11 0.00 -1.01 0.00 0.00 64.21 62.22 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 -3.92 0.26 -0.21 1.43 -2.45 -1.26 -5.11 119.30 108.04 2jm3 s MET 3 Ca 0.44 0.38 -0.29 0.00 -1.25 0.00 0.00 55.69 54.98 2jm3 s MET 3 Cb 0.24 -0.82 -0.06 0.00 1.25 0.00 0.00 34.83 35.44 2jm3 s MET 3 CO -0.14 -0.63 2.21 -0.35 1.05 0.00 0.00 175.02 177.16 2jm3 n PRO 4 N 5.34 1.96 -2.21 4.11 -0.04 -1.26 -4.93 135.00 137.98 2jm3 n PRO 4 Ca -0.05 0.55 -0.41 0.00 -0.04 0.00 0.00 63.50 63.55 2jm3 n PRO 4 Cb 0.50 -3.18 -0.03 0.00 -0.04 0.00 0.00 33.50 30.75 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 8.05 3.08 0.02 0.52 2.01 -1.26 -5.04 115.64 123.02 2jm3 s THR 5 Ca 1.01 0.95 -0.02 0.00 0.31 0.00 0.00 61.69 63.94 2jm3 s THR 5 Cb -0.37 -3.61 -0.01 0.00 0.01 0.00 0.00 72.50 68.52 2jm3 s THR 5 CO 0.36 0.17 0.02 0.42 -0.69 0.00 0.00 174.62 174.91 2jm3 s THR 6 N -0.32 0.11 0.28 -0.82 -4.23 -1.26 -5.12 115.64 104.27 2jm3 s THR 6 Ca 0.54 -0.91 -0.29 0.00 -1.18 0.00 0.00 61.69 59.84 2jm3 s THR 6 Cb -0.37 -0.41 -0.10 0.00 1.34 0.00 0.00 72.50 72.96 2jm3 s THR 6 CO 0.42 -0.50 1.35 0.00 -0.54 0.00 0.00 174.62 175.35 2jm3 n GLY 8 N 1.60 0.06 3.75 0.00 0.00 0.40 -4.84 105.19 106.16 2jm3 n GLY 8 Ca 0.04 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.92 3.49 -0.77 1.61 5.36 -1.26 -4.93 117.98 119.56 2jm3 s PHE 9 Ca 0.36 1.54 -0.26 0.00 -0.96 0.00 0.00 56.93 57.62 2jm3 s PHE 9 Cb 0.20 -3.37 -0.10 0.00 -0.34 0.00 0.00 43.02 39.41 2jm3 s PHE 9 CO 0.31 -0.91 2.27 -1.25 -1.46 0.00 0.00 175.22 174.18 2jm3 s PRO 10 N -0.71 1.93 -0.27 10.12 0.04 -1.26 -3.56 135.00 141.28 2jm3 s PRO 10 Ca 0.49 0.42 -0.07 0.00 0.04 0.00 0.00 61.00 61.88 2jm3 s PRO 10 Cb -0.32 -4.81 0.01 0.00 0.04 0.00 0.00 34.50 29.42 2jm3 s PRO 10 CO 0.38 -3.99 0.27 -1.71 0.04 0.00 0.00 177.00 171.99 2jm3 n ASN 11 N 16.99 -6.18 -4.73 6.66 5.15 -1.26 -4.97 115.26 126.92 2jm3 n ASN 11 Ca 0.43 0.60 -0.41 0.00 -0.60 0.00 0.00 54.58 54.60 2jm3 n ASN 11 Cb 0.46 -4.06 -0.03 0.00 -0.53 0.00 0.00 39.78 35.62 2jm3 n ASN 11 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jm3 n LYS 13 N 3.07 0.24 -0.10 0.00 2.85 -1.26 -3.47 118.16 119.50 2jm3 n LYS 13 Ca 0.06 -0.13 -0.20 0.00 -1.05 0.00 0.00 58.31 56.99 2jm3 n LYS 13 Cb 0.45 -1.50 -0.12 0.00 -0.65 0.00 0.00 35.03 33.21 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 -1.27 0.33 0.08 5.58 3.72 -1.26 -2.77 117.46 121.88 2jm3 n PHE 14 Ca 0.08 0.08 -0.04 0.00 -0.05 0.00 0.00 57.45 57.51 2jm3 n PHE 14 Cb 0.33 -1.04 0.14 0.00 -0.94 0.00 0.00 39.48 37.97 2jm3 n PHE 14 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 2jm3 h ARG 15 N -0.14 0.24 -0.61 -1.08 0.11 -1.93 -2.84 114.38 108.14 2jm3 h ARG 15 Ca -0.55 -0.15 0.00 0.00 0.10 0.00 0.00 59.98 59.37 2jm3 h ARG 15 Cb 1.87 0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.97 2jm3 h ARG 15 CO -0.09 0.74 0.00 0.43 0.10 0.00 0.00 179.97 181.14 2jm3 n SER 16 N -3.91 3.51 0.23 0.08 7.64 -1.23 -4.15 113.62 115.80 2jm3 n SER 16 Ca -0.02 -2.16 0.11 0.00 1.01 0.00 0.00 58.87 57.81 2jm3 n SER 16 Cb 0.58 -0.45 0.49 0.00 -1.01 0.00 0.00 64.21 63.83 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 3.40 0.00 0.00 1.43 9.65 -1.31 -3.44 114.38 124.10 2jm3 h ARG 17 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2jm3 h ARG 17 Cb 0.99 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.57 2jm3 h ARG 17 CO 0.09 0.17 0.00 0.66 2.80 0.00 0.00 179.97 183.69 2jm3 n TYR 18 N -3.32 0.00 0.07 2.20 4.02 -1.26 -5.04 117.16 113.84 2jm3 n TYR 18 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.86 2jm3 n TYR 18 Cb 0.41 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.71 2jm3 n TYR 18 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 2jm3 h ARG 19 N 0.00 -0.20 0.00 -0.72 9.65 -1.90 -3.49 114.38 117.71 2jm3 h ARG 19 Ca 0.00 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 2jm3 h ARG 19 Cb 0.00 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.63 2jm3 h ARG 19 CO 0.00 -0.13 0.00 0.41 2.80 0.00 0.00 179.97 183.05 2jm3 n GLY 20 N 0.64 3.54 2.96 2.80 0.00 -1.26 -5.00 105.19 108.87 2jm3 n GLY 20 Ca -0.03 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 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 6.40 -2.55 0.99 4.77 -1.26 -4.52 117.00 120.83 2jm3 n LEU 21 Ca 0.00 -4.36 -0.18 0.00 -0.03 0.00 0.00 56.01 51.44 2jm3 n LEU 21 Cb 0.00 -1.59 0.02 0.00 -2.33 0.00 0.00 43.42 39.52 2jm3 n LEU 21 CO 0.00 1.08 0.05 1.21 -1.33 0.00 0.00 177.39 178.40 2jm3 n GLU 22 N 5.36 2.41 -0.33 3.23 4.07 -1.26 -4.89 120.64 129.23 2jm3 n GLU 22 Ca 0.45 -3.92 0.19 0.00 -0.06 0.00 0.00 57.16 53.82 2jm3 n GLU 22 Cb 0.39 -1.80 0.43 0.00 -0.06 0.00 0.00 31.44 30.40 2jm3 n GLU 22 CO 0.00 0.00 0.00 0.38 -0.06 0.00 0.00 177.13 177.45 2jm3 h ASP 23 N 2.73 0.59 -5.82 4.31 2.03 -1.80 -3.45 116.42 115.01 2jm3 h ASP 23 Ca 0.12 0.10 -0.37 0.00 -0.73 0.00 0.00 57.03 56.15 2jm3 h ASP 23 Cb 1.08 0.01 -0.15 0.00 -0.83 0.00 0.00 39.33 39.44 2jm3 h ASP 23 CO 0.67 0.13 -0.54 -3.20 -1.03 0.00 0.00 179.24 175.27 2jm3 n ASN 24 N -4.74 -2.67 -4.63 4.15 2.85 -1.26 -4.91 115.26 104.05 2jm3 n ASN 24 Ca 0.25 -0.44 -0.25 0.00 -0.11 0.00 0.00 54.58 54.04 2jm3 n ASN 24 Cb 0.76 -2.27 -0.09 0.00 1.24 0.00 0.00 39.78 39.43 2jm3 n ASN 24 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 2jm3 s ARG 25 N -6.14 2.07 -0.23 1.20 3.52 -1.26 -5.09 118.95 113.02 2jm3 s ARG 25 Ca 0.44 -1.74 -0.25 0.00 -0.13 0.00 0.00 55.73 54.04 2jm3 s ARG 25 Cb -0.24 -1.93 -0.01 0.00 -1.56 0.00 0.00 34.95 31.21 2jm3 s ARG 25 CO 0.54 0.15 0.84 -1.58 -0.81 0.00 0.00 175.30 174.43 2jm3 s HIS 26 N -2.51 3.33 -0.48 5.12 5.65 -1.26 -4.99 115.29 120.15 2jm3 s HIS 26 Ca 0.35 1.18 -0.18 0.00 0.25 0.00 0.00 55.06 56.65 2jm3 s HIS 26 Cb -0.00 -3.06 0.05 0.00 -1.18 0.00 0.00 32.58 28.39 2jm3 s HIS 26 CO 0.19 -0.38 0.56 -0.06 -0.65 0.00 0.00 174.74 174.41 2jm3 s PHE 27 N 2.75 3.10 0.25 3.88 0.08 -1.26 -2.11 117.98 124.67 2jm3 s PHE 27 Ca 0.36 -0.52 -0.29 0.00 0.12 0.00 0.00 56.93 56.60 2jm3 s PHE 27 Cb -0.15 -3.36 -0.09 0.00 -0.57 0.00 0.00 43.02 38.84 2jm3 s PHE 27 CO 0.08 -0.93 0.94 0.71 -0.10 0.00 0.00 175.22 175.92 2jm3 s TYR 28 N 2.43 3.94 0.00 0.36 2.02 0.19 -4.77 117.35 121.53 2jm3 s TYR 28 Ca 0.14 1.90 -0.19 0.00 -0.37 0.00 0.00 57.07 58.54 2jm3 s TYR 28 Cb -0.19 -2.97 -0.06 0.00 -0.40 0.00 0.00 41.96 38.34 2jm3 s TYR 28 CO 0.12 0.42 0.54 0.50 -1.57 0.00 0.00 175.55 175.56 2jm3 s ARG 29 N -1.33 4.22 -0.10 -0.62 6.06 -1.26 -0.88 118.95 125.04 2jm3 s ARG 29 Ca 0.42 0.64 -0.33 0.00 -2.50 0.00 0.00 55.73 53.96 2jm3 s ARG 29 Cb -0.25 -3.30 -0.11 0.00 0.06 0.00 0.00 34.95 31.35 2jm3 s ARG 29 CO 0.31 0.47 1.96 -0.89 -2.50 0.00 0.00 175.30 174.65 2jm3 n ILE 30 N 2.41 0.57 -1.70 4.11 -0.00 -1.26 -4.91 119.36 118.59 2jm3 n ILE 30 Ca -0.09 -0.16 -0.42 0.00 -0.00 0.00 0.00 62.75 62.08 2jm3 n ILE 30 Cb 0.51 -2.01 -0.00 0.00 -0.00 0.00 0.00 39.64 38.14 2jm3 n ILE 30 CO 0.00 0.00 0.00 -2.65 -0.00 0.00 0.00 176.55 173.90 2jm3 n PRO 31 N 7.14 2.11 -0.18 0.38 -0.02 -1.26 -4.91 135.00 138.25 2jm3 n PRO 31 Ca 0.24 0.74 0.06 0.00 -2.02 0.00 0.00 63.50 62.52 2jm3 n PRO 31 Cb 0.33 -2.33 0.16 0.00 -0.02 0.00 0.00 33.50 31.63 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 0.51 2.83 -3.67 -0.52 2.85 -1.26 -4.07 118.16 114.82 2jm3 n LYS 32 Ca 0.05 -2.06 -0.09 0.00 -1.05 0.00 0.00 58.31 55.15 2jm3 n LYS 32 Cb 0.36 -1.28 -0.10 0.00 -0.65 0.00 0.00 35.03 33.36 2jm3 n LYS 32 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 2jm3 s ARG 33 N -1.00 0.35 0.81 -1.58 1.04 -1.26 -3.84 118.95 113.47 2jm3 s ARG 33 Ca 0.24 0.94 -0.11 0.00 -1.04 0.00 0.00 55.73 55.76 2jm3 s ARG 33 Cb 0.13 0.19 0.08 0.00 -2.04 0.00 0.00 34.95 33.30 2jm3 s ARG 33 CO 0.17 -0.22 1.09 -1.25 -0.04 0.00 0.00 175.30 175.05 2jm3 s PRO 34 N 2.14 1.98 0.32 3.89 0.04 -1.26 -4.89 135.00 137.22 2jm3 s PRO 34 Ca -0.05 0.87 0.02 0.00 0.04 0.00 0.00 61.00 61.87 2jm3 s PRO 34 Cb -0.11 -1.89 0.55 0.00 0.04 0.00 0.00 34.50 33.10 2jm3 s PRO 34 CO -0.13 -1.75 1.92 1.25 0.04 0.00 0.00 177.00 178.33 2jm3 h LEU 35 N -1.19 0.69 -1.04 -3.56 7.12 -1.93 -1.48 115.31 113.91 2jm3 h LEU 35 Ca -0.47 -0.08 -0.05 0.00 0.13 0.00 0.00 57.88 57.42 2jm3 h LEU 35 Cb 1.26 -0.18 -0.03 0.00 -0.53 0.00 0.00 40.66 41.18 2jm3 h LEU 35 CO 0.56 0.61 0.17 0.40 -0.13 0.00 0.00 178.44 180.05 2jm3 h ILE 36 N 0.75 1.22 -0.58 4.05 1.08 -1.97 0.12 117.51 122.20 2jm3 h ILE 36 Ca 0.18 -0.77 -0.08 0.00 -0.39 0.00 0.00 64.86 63.80 2jm3 h ILE 36 Cb 0.13 0.61 -0.02 0.00 -3.07 0.00 0.00 36.82 34.47 2jm3 h ILE 36 CO -0.02 0.29 0.04 0.25 -0.69 0.00 0.00 178.15 178.02 2jm3 h LEU 37 N 0.83 0.97 -0.63 1.44 5.85 -1.67 0.91 115.31 123.01 2jm3 h LEU 37 Ca 0.19 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 2jm3 h LEU 37 Cb 0.26 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2jm3 h LEU 37 CO -0.01 1.02 0.38 -0.09 -0.34 0.00 0.00 178.44 179.40 2jm3 h ARG 38 N 0.88 0.86 -0.68 1.25 2.43 -0.79 0.10 114.38 118.43 2jm3 h ARG 38 Ca 0.17 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2jm3 h ARG 38 Cb 0.50 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 2jm3 h ARG 38 CO 0.02 0.62 0.44 0.37 -1.51 0.00 0.00 179.97 179.91 2jm3 h GLN 39 N 0.86 0.90 0.00 0.20 4.15 -0.30 -2.06 115.11 118.86 2jm3 h GLN 39 Ca 0.23 -0.06 -0.09 0.00 0.77 0.00 0.00 58.65 59.49 2jm3 h GLN 39 Cb -0.02 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.46 2jm3 h GLN 39 CO -0.04 0.61 -0.45 0.00 -1.93 0.00 0.00 178.83 177.01 2jm3 h ARG 40 N 0.92 0.00 -0.47 1.69 2.47 -0.40 -2.70 114.38 115.88 2jm3 h ARG 40 Ca 0.25 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.93 2jm3 h ARG 40 Cb -0.09 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.21 2jm3 h ARG 40 CO -0.05 0.45 0.13 -1.49 0.56 0.00 0.00 179.97 179.57 2jm3 h TRP 41 N 0.00 0.72 0.00 3.04 4.06 -0.11 -2.19 115.95 121.47 2jm3 h TRP 41 Ca -0.00 -0.05 -0.01 0.00 2.06 0.00 0.00 58.89 60.89 2jm3 h TRP 41 Cb 0.89 -0.21 -0.00 0.00 -1.00 0.00 0.00 29.16 28.83 2jm3 h TRP 41 CO 0.00 0.60 -0.03 -0.07 -3.56 0.00 0.00 178.44 175.39 2jm3 h LEU 42 N 0.69 0.00 -0.68 -4.49 3.38 -1.11 -3.23 115.31 109.86 2jm3 h LEU 42 Ca 0.16 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.22 2jm3 h LEU 42 Cb 0.24 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 2jm3 h LEU 42 CO -0.01 0.03 0.32 0.74 0.09 0.00 0.00 178.44 179.61 2jm3 h THR 43 N 0.00 0.83 0.00 0.22 2.02 -1.42 0.15 112.91 114.71 2jm3 h THR 43 Ca -0.00 -0.19 -0.26 0.00 0.77 0.00 0.00 66.41 66.73 2jm3 h THR 43 Cb 0.42 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 67.02 2jm3 h THR 43 CO 0.00 0.10 -1.43 0.00 0.37 0.00 0.00 175.52 174.57 2jm3 h ALA 44 N 1.42 0.62 0.00 6.16 0.00 -1.74 -3.31 119.26 122.42 2jm3 h ALA 44 Ca 0.34 -1.24 -0.07 0.00 0.00 0.00 0.00 54.91 53.93 2jm3 h ALA 44 Cb 0.37 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2jm3 h ALA 44 CO -0.28 1.44 -0.59 -0.84 0.00 0.00 0.00 179.25 178.99 2jm3 h ILE 45 N 0.00 0.45 -2.75 0.00 3.07 -1.63 -3.47 117.51 113.18 2jm3 h ILE 45 Ca -0.18 -1.69 -0.22 0.00 1.55 0.00 0.00 64.86 64.32 2jm3 h ILE 45 Cb 1.91 2.12 0.04 0.00 -0.27 0.00 0.00 36.82 40.61 2jm3 h ILE 45 CO 0.10 0.26 -0.33 0.61 -1.05 0.00 0.00 178.15 177.73 2jm3 n GLY 46 N 1.21 0.04 3.78 0.16 0.00 0.51 -4.60 105.19 106.29 2jm3 n GLY 46 Ca 0.00 -0.28 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 2jm3 n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jm3 s ARG 47 N -5.21 2.77 0.27 1.61 1.81 -1.15 -5.07 118.95 113.98 2jm3 s ARG 47 Ca 0.18 -1.15 0.00 0.00 -1.72 0.00 0.00 55.73 53.04 2jm3 s ARG 47 Cb -0.08 -2.46 0.00 0.00 -0.45 0.00 0.00 34.95 31.96 2jm3 s ARG 47 CO 0.22 0.38 0.01 0.25 -0.68 0.00 0.00 175.30 175.48 2jm3 n THR 48 N -1.12 0.00 0.21 0.02 -2.24 -1.26 -4.78 114.28 105.11 2jm3 n THR 48 Ca -0.07 -1.27 0.07 0.00 -2.27 0.00 0.00 64.05 60.51 2jm3 n THR 48 Cb 0.58 0.23 0.45 0.00 -2.10 0.00 0.00 70.33 69.49 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 0.00 -0.78 5.08 -2.00 -0.29 114.58 116.58 2jm3 h GLU 49 Ca -0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2jm3 h GLU 49 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2jm3 h GLU 49 CO 0.37 0.29 0.00 1.05 -1.00 0.00 0.00 179.01 179.72 2jm3 h GLU 50 N 0.00 0.00 0.00 2.33 9.09 -2.00 -3.33 114.58 120.66 2jm3 h GLU 50 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2jm3 h GLU 50 Cb 0.69 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.79 2jm3 h GLU 50 CO 0.04 0.00 0.00 0.25 0.05 0.00 0.00 179.01 179.35 2jm3 n THR 51 N -2.62 0.14 0.18 -1.06 -2.24 -0.80 -4.70 114.28 103.18 2jm3 n THR 51 Ca 0.05 -0.49 0.06 0.00 -2.27 0.00 0.00 64.05 61.39 2jm3 n THR 51 Cb 0.46 1.06 -0.09 0.00 -2.10 0.00 0.00 70.33 69.66 2jm3 n THR 51 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2jm3 n VAL 52 N -0.07 0.00 -0.76 2.28 3.14 -0.19 -4.46 118.33 118.28 2jm3 n VAL 52 Ca 0.00 -0.26 0.08 0.00 -2.96 0.00 0.00 64.34 61.20 2jm3 n VAL 52 Cb 0.08 0.47 0.31 0.00 -1.06 0.00 0.00 33.84 33.64 2jm3 n VAL 52 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 2jm3 n VAL 53 N -1.72 2.10 0.00 1.55 0.31 -1.25 -4.51 118.33 114.81 2jm3 n VAL 53 Ca -0.01 -1.47 0.00 0.00 -0.01 0.00 0.00 64.34 62.85 2jm3 n VAL 53 Cb 0.28 -0.05 0.00 0.00 -0.91 0.00 0.00 33.84 33.16 2jm3 n VAL 53 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2jm3 n SER 54 N 0.34 0.00 -0.20 4.52 7.64 -1.26 -4.89 113.62 119.77 2jm3 n SER 54 Ca 0.23 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.24 2jm3 n SER 54 Cb 0.90 0.00 0.39 0.00 -1.01 0.00 0.00 64.21 64.49 2jm3 n SER 54 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2jm3 n GLN 55 N 0.00 0.70 -1.65 1.43 0.00 -1.26 -4.96 117.38 111.64 2jm3 n GLN 55 Ca 0.00 -0.39 -0.49 0.00 -0.00 0.00 0.00 57.00 56.11 2jm3 n GLN 55 Cb 0.00 -1.49 -0.05 0.00 0.00 0.00 0.00 30.24 28.70 2jm3 n GLN 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 2jm3 n LEU 56 N -0.81 2.64 -4.05 1.69 7.94 -1.26 -4.69 117.00 118.46 2jm3 n LEU 56 Ca 0.11 1.07 -0.09 0.00 -1.11 0.00 0.00 56.01 56.00 2jm3 n LEU 56 Cb 0.34 -1.32 -0.11 0.00 0.53 0.00 0.00 43.42 42.87 2jm3 n LEU 56 CO 0.27 -0.49 -0.37 -0.60 -1.11 0.00 0.00 177.39 175.09 2jm3 s ARG 57 N 1.60 0.51 -0.06 1.96 6.06 -1.23 -4.63 118.95 123.15 2jm3 s ARG 57 Ca 0.85 -0.93 0.04 0.00 -2.50 0.00 0.00 55.73 53.19 2jm3 s ARG 57 Cb -0.81 0.06 -0.00 0.00 0.06 0.00 0.00 34.95 34.26 2jm3 s ARG 57 CO 0.46 -0.06 -0.18 0.42 -2.50 0.00 0.00 175.30 173.44 2jm3 s ILE 58 N -2.60 1.55 0.76 4.11 -1.09 -0.06 -0.45 121.20 123.42 2jm3 s ILE 58 Ca -0.04 -0.76 -0.14 0.00 -2.23 0.00 0.00 60.65 57.48 2jm3 s ILE 58 Cb -0.02 -1.34 0.06 0.00 -1.58 0.00 0.00 42.46 39.58 2jm3 s ILE 58 CO -0.05 0.44 1.21 0.00 -1.23 0.00 0.00 174.94 175.32 2jm3 n SER 60 N -2.97 0.52 0.00 0.00 3.41 -0.90 -2.84 113.62 110.84 2jm3 n SER 60 Ca 0.14 0.59 0.14 0.00 -0.26 0.00 0.00 58.87 59.47 2jm3 n SER 60 Cb 0.50 -0.71 0.80 0.00 -0.26 0.00 0.00 64.21 64.54 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 -1.70 2.50 -0.52 7.33 0.00 -1.26 -3.00 120.51 123.86 2jm3 n ALA 61 Ca 0.04 -0.17 -0.04 0.00 0.00 0.00 0.00 53.44 53.28 2jm3 n ALA 61 Cb 0.29 -1.45 0.24 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.06 1.86 -4.39 0.00 -0.00 -1.13 -4.70 115.22 105.79 2jm3 n HIS 62 Ca 0.19 -0.92 -0.23 0.00 -0.00 0.00 0.00 57.72 56.76 2jm3 n HIS 62 Cb 0.12 -0.55 -0.08 0.00 -0.00 0.00 0.00 29.99 29.48 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 -2.38 1.78 -2.00 4.41 0.08 -1.16 -0.17 117.98 118.54 2jm3 s PHE 63 Ca 0.42 -1.53 0.11 0.00 0.12 0.00 0.00 56.93 56.04 2jm3 s PHE 63 Cb 0.33 -0.91 0.64 0.00 -0.57 0.00 0.00 43.02 42.52 2jm3 s PHE 63 CO 0.10 -0.65 1.32 -0.85 -0.10 0.00 0.00 175.22 175.05 2jm3 n GLU 64 N -0.78 0.89 0.00 0.44 0.28 -1.26 -4.47 120.64 115.74 2jm3 n GLU 64 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 2jm3 n GLU 64 Cb 0.63 -1.19 0.00 0.00 1.43 0.00 0.00 31.44 32.31 2jm3 n GLU 64 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jm3 n GLY 65 N 0.54 -0.23 0.00 -1.84 0.00 -1.26 -5.03 105.19 97.36 2jm3 n GLY 65 Ca 0.08 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.15 -0.42 3.28 -0.02 0.00 -1.22 -4.84 105.19 100.83 2jm3 n GLY 66 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 3.32 -0.43 1.61 0.41 -1.26 -4.83 118.70 117.52 2jm3 s GLU 67 Ca 0.00 -0.66 -0.20 0.00 -0.41 0.00 0.00 54.97 53.70 2jm3 s GLU 67 Cb 0.00 -2.91 0.02 0.00 -1.78 0.00 0.00 34.13 29.46 2jm3 s GLU 67 CO 0.00 -0.17 0.58 0.21 -0.49 0.00 0.00 175.26 175.38 2jm3 s LYS 68 N 1.38 3.26 0.00 1.61 2.20 -1.26 -4.93 119.74 122.00 2jm3 s LYS 68 Ca 0.05 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.20 2jm3 s LYS 68 Cb -0.14 -3.94 0.00 0.00 -1.51 0.00 0.00 37.83 32.24 2jm3 s LYS 68 CO -0.04 -0.94 0.00 1.63 -0.36 0.00 0.00 175.35 175.64 2jm3 n LYS 69 N 6.04 3.42 -1.75 4.03 4.76 -1.26 -5.01 118.16 128.40 2jm3 n LYS 69 Ca -0.03 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.17 2jm3 n LYS 69 Cb 0.48 0.00 0.05 0.00 -1.84 0.00 0.00 35.03 33.72 2jm3 n LYS 69 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2jm3 n GLU 70 N 0.00 3.24 0.00 1.97 -0.58 -1.26 -4.58 120.64 119.43 2jm3 n GLU 70 Ca 0.00 -3.89 0.00 0.00 -0.42 0.00 0.00 57.16 52.85 2jm3 n GLU 70 Cb 0.00 -2.23 0.00 0.00 -0.57 0.00 0.00 31.44 28.64 2jm3 n GLU 70 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jm3 n GLY 71 N -0.79 0.00 3.67 0.62 0.00 -1.26 -4.83 105.19 102.60 2jm3 n GLY 71 Ca 0.46 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.06 2jm3 n GLY 71 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jm3 s ASP 72 N -0.91 6.89 -0.07 1.61 1.11 -1.26 0.00 116.67 124.05 2jm3 s ASP 72 Ca 0.00 1.92 -0.12 0.00 0.18 0.00 0.00 52.55 54.53 2jm3 s ASP 72 Cb 0.00 -2.55 -0.05 0.00 1.07 0.00 0.00 42.92 41.39 2jm3 s ASP 72 CO 0.00 -0.75 0.29 -0.63 1.18 0.00 0.00 175.17 175.27 2jm3 s ILE 73 N 3.08 5.24 -0.15 0.77 1.01 -0.39 -4.83 121.20 125.94 2jm3 s ILE 73 Ca 0.60 0.57 -0.29 0.00 0.00 0.00 0.00 60.65 61.53 2jm3 s ILE 73 Cb -0.27 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 2jm3 s ILE 73 CO 0.22 0.57 1.59 -2.16 0.00 0.00 0.00 174.94 175.15 2jm3 s PRO 74 N -0.85 4.00 0.28 2.79 0.04 -1.26 -4.36 135.00 135.65 2jm3 s PRO 74 Ca 0.20 1.87 0.02 0.00 0.04 0.00 0.00 61.00 63.12 2jm3 s PRO 74 Cb -0.14 -3.98 -0.03 0.00 0.04 0.00 0.00 34.50 30.38 2jm3 s PRO 74 CO 0.09 -1.04 0.46 0.14 0.04 0.00 0.00 177.00 176.68 2jm3 s VAL 75 N 4.54 5.17 0.26 -0.36 -7.23 0.76 -4.63 120.40 118.91 2jm3 s VAL 75 Ca 0.70 -0.62 0.03 0.00 -1.81 0.00 0.00 61.98 60.28 2jm3 s VAL 75 Cb -0.28 -3.84 0.02 0.00 0.56 0.00 0.00 36.38 32.85 2jm3 s VAL 75 CO 0.27 -0.41 1.65 -0.65 -0.31 0.00 0.00 175.10 175.65 2jm3 h PRO 76 N 1.13 0.39 -0.84 4.82 0.11 -1.91 -3.42 132.00 132.29 2jm3 h PRO 76 Ca -0.50 -0.19 0.11 0.00 0.11 0.00 0.00 66.00 65.52 2jm3 h PRO 76 Cb 1.22 -0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.12 2jm3 h PRO 76 CO 0.62 0.74 -0.22 0.34 -0.21 0.00 0.00 178.00 179.28 2jm3 s ASP 77 N -6.86 -1.23 0.09 -2.05 -1.08 -1.26 -4.82 116.67 99.45 2jm3 s ASP 77 Ca -0.06 0.54 0.08 0.00 -0.52 0.00 0.00 52.55 52.59 2jm3 s ASP 77 Cb 0.13 1.94 0.39 0.00 -1.46 0.00 0.00 42.92 43.92 2jm3 s ASP 77 CO 0.80 -0.23 1.23 -2.65 0.52 0.00 0.00 175.17 174.84 2jm3 n PRO 78 N 5.41 0.04 -0.15 4.34 -0.02 -1.26 0.66 135.00 144.02 2jm3 n PRO 78 Ca 0.00 0.51 0.09 0.00 -2.02 0.00 0.00 63.50 62.09 2jm3 n PRO 78 Cb 0.53 -1.63 0.16 0.00 -0.02 0.00 0.00 33.50 32.54 2jm3 n PRO 78 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2jm3 n THR 79 N -1.72 0.53 0.00 3.45 -1.04 -1.26 -4.67 114.28 109.57 2jm3 n THR 79 Ca -0.00 -0.77 0.00 0.00 -2.04 0.00 0.00 64.05 61.24 2jm3 n THR 79 Cb 0.03 0.91 0.00 0.00 -1.82 0.00 0.00 70.33 69.45 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 1.06 0.00 -3.92 12.58 0.31 -0.09 -5.09 118.33 123.18 2jm3 n VAL 80 Ca 0.15 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 64.11 2jm3 n VAL 80 Cb 0.49 -0.22 -0.06 0.00 -0.91 0.00 0.00 33.84 33.13 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 -3.87 6.28 -0.43 4.52 2.15 0.21 -5.02 116.67 120.51 2jm3 s ASP 81 Ca 0.00 0.43 -0.27 0.00 0.43 0.00 0.00 52.55 53.14 2jm3 s ASP 81 Cb 0.00 -2.02 -0.04 0.00 -0.30 0.00 0.00 42.92 40.56 2jm3 s ASP 81 CO 0.00 0.40 2.06 -0.54 -0.17 0.00 0.00 175.17 176.92 2jm3 s LYS 82 N -0.98 2.77 -0.42 4.34 1.02 -1.26 -4.34 119.74 120.86 2jm3 s LYS 82 Ca 0.15 1.32 -0.37 0.00 0.02 0.00 0.00 55.97 57.09 2jm3 s LYS 82 Cb -0.12 -4.39 -0.16 0.00 -0.52 0.00 0.00 37.83 32.64 2jm3 s LYS 82 CO 0.04 -2.53 1.80 0.94 -0.92 0.00 0.00 175.35 174.68 2jm3 n GLN 83 N 8.85 0.00 -2.68 1.68 -0.06 -1.26 -4.87 117.38 119.03 2jm3 n GLN 83 Ca 0.27 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.85 2jm3 n GLN 83 Cb 0.50 -1.26 -0.03 0.00 -4.06 0.00 0.00 30.24 25.39 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 5.07 4.77 0.02 1.69 1.01 -1.26 -5.02 121.20 127.47 2jm3 s ILE 84 Ca 1.01 2.03 0.01 0.00 0.00 0.00 0.00 60.65 63.70 2jm3 s ILE 84 Cb -1.26 -4.31 -0.01 0.00 0.01 0.00 0.00 42.46 36.89 2jm3 s ILE 84 CO 0.55 0.00 -0.04 -1.59 0.00 0.00 0.00 174.94 173.87 2jm3 s LYS 85 N 2.02 0.31 -0.17 2.79 -2.85 -1.26 -1.26 119.74 119.33 2jm3 s LYS 85 Ca 0.48 -0.47 -0.08 0.00 -1.00 0.00 0.00 55.97 54.91 2jm3 s LYS 85 Cb -0.18 -0.07 -0.04 0.00 -2.06 0.00 0.00 37.83 35.47 2jm3 s LYS 85 CO 0.18 0.00 0.09 0.42 0.10 0.00 0.00 175.35 176.14 2jm3 s ILE 86 N -0.97 5.02 -0.70 3.79 1.01 0.10 -4.97 121.20 124.48 2jm3 s ILE 86 Ca -0.09 0.04 -0.25 0.00 0.00 0.00 0.00 60.65 60.35 2jm3 s ILE 86 Cb -0.07 -3.24 0.04 0.00 0.01 0.00 0.00 42.46 39.20 2jm3 s ILE 86 CO -0.00 0.49 1.16 -0.70 0.00 0.00 0.00 174.94 175.89 2jm3 s GLU 87 N 0.04 3.17 -0.12 2.79 2.56 -1.26 -4.58 118.70 121.30 2jm3 s GLU 87 Ca 0.07 -0.44 -0.23 0.00 0.00 0.00 0.00 54.97 54.37 2jm3 s GLU 87 Cb -0.12 -4.19 -0.03 0.00 2.00 0.00 0.00 34.13 31.79 2jm3 s GLU 87 CO 0.00 -2.00 0.70 -1.17 -0.56 0.00 0.00 175.26 172.23 2jm3 s LEU 88 N 5.08 4.24 0.43 2.70 2.96 -1.26 -5.04 118.68 127.80 2jm3 s LEU 88 Ca 0.31 1.08 -0.26 0.00 -0.22 0.00 0.00 54.13 55.03 2jm3 s LEU 88 Cb -0.11 -3.05 -0.09 0.00 0.50 0.00 0.00 46.19 43.44 2jm3 s LEU 88 CO 0.14 -0.20 1.46 -2.16 -1.32 0.00 0.00 176.35 174.26 2jm3 s PRO 89 N 1.33 3.79 0.35 0.98 0.04 -1.26 -4.91 135.00 135.32 2jm3 s PRO 89 Ca 0.35 2.49 0.04 0.00 0.04 0.00 0.00 61.00 63.92 2jm3 s PRO 89 Cb -0.17 -2.74 0.68 0.00 0.04 0.00 0.00 34.50 32.31 2jm3 s PRO 89 CO 0.15 -0.76 1.95 -1.35 0.04 0.00 0.00 177.00 177.03 2jm3 h PRO 90 N 2.50 0.80 0.00 0.56 0.11 -2.05 -3.55 132.00 130.38 2jm3 h PRO 90 Ca -0.51 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.55 2jm3 h PRO 90 Cb 1.26 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2jm3 h PRO 90 CO 0.62 0.53 0.00 1.17 -0.21 0.00 0.00 178.00 180.11