#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 0.00 -4.74 1.61 7.64 -1.26 -4.74 113.62 112.13 2jm3 n SER 2 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.48 2jm3 n SER 2 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 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 0.00 4.48 0.75 1.43 -2.45 -1.26 -5.05 119.30 117.20 2jm3 s MET 3 Ca 0.00 1.03 -0.13 0.00 -1.25 0.00 0.00 55.69 55.35 2jm3 s MET 3 Cb 0.00 -3.38 0.05 0.00 1.25 0.00 0.00 34.83 32.75 2jm3 s MET 3 CO 0.00 0.24 1.13 -1.25 1.05 0.00 0.00 175.02 176.19 2jm3 s PRO 4 N 0.10 2.20 0.27 4.11 0.04 -1.26 -4.96 135.00 135.51 2jm3 s PRO 4 Ca 0.38 1.41 -0.31 0.00 0.04 0.00 0.00 61.00 62.53 2jm3 s PRO 4 Cb -0.20 -1.87 -0.12 0.00 0.04 0.00 0.00 34.50 32.35 2jm3 s PRO 4 CO 0.22 -1.72 1.57 2.41 0.04 0.00 0.00 177.00 179.52 2jm3 n THR 5 N -3.13 0.89 -2.46 1.26 -1.04 -1.26 -4.93 114.28 103.60 2jm3 n THR 5 Ca 0.11 -0.22 -0.43 0.00 -2.04 0.00 0.00 64.05 61.47 2jm3 n THR 5 Cb 0.52 -1.85 -0.02 0.00 -1.82 0.00 0.00 70.33 67.16 2jm3 n THR 5 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2jm3 s THR 6 N 0.12 4.32 0.35 12.58 -4.23 -1.26 -5.00 115.64 122.51 2jm3 s THR 6 Ca 0.66 1.61 -0.28 0.00 -1.18 0.00 0.00 61.69 62.50 2jm3 s THR 6 Cb -0.53 -4.04 -0.10 0.00 1.34 0.00 0.00 72.50 69.16 2jm3 s THR 6 CO 0.47 -0.09 1.34 0.00 -0.54 0.00 0.00 174.62 175.80 2jm3 n GLY 8 N 0.71 -1.67 3.81 0.00 0.00 0.11 -4.73 105.19 103.43 2jm3 n GLY 8 Ca 0.01 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 2jm3 n GLY 8 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jm3 s PHE 9 N -3.13 3.18 0.66 1.61 0.40 -1.26 -4.92 117.98 114.52 2jm3 s PHE 9 Ca 0.10 1.58 0.43 0.00 -0.60 0.00 0.00 56.93 58.44 2jm3 s PHE 9 Cb 0.12 -2.94 2.36 0.00 0.51 0.00 0.00 43.02 43.07 2jm3 s PHE 9 CO 0.58 -0.46 2.35 -1.00 0.70 0.00 0.00 175.22 177.39 2jm3 h PRO 10 N 1.65 0.00 -1.27 0.24 0.13 -1.88 -3.40 132.00 127.47 2jm3 h PRO 10 Ca -0.49 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.77 2jm3 h PRO 10 Cb 1.20 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.11 2jm3 h PRO 10 CO 0.60 0.00 -0.02 1.21 -0.23 0.00 0.00 178.00 179.56 2jm3 s ASN 11 N -5.23 -0.94 -0.55 1.44 3.84 -1.26 -5.12 114.94 107.12 2jm3 s ASN 11 Ca -0.05 1.03 -0.19 0.00 0.21 0.00 0.00 52.86 53.86 2jm3 s ASN 11 Cb 0.13 1.96 0.08 0.00 -0.55 0.00 0.00 41.25 42.87 2jm3 s ASN 11 CO 0.42 -0.18 0.68 0.00 -2.79 0.00 0.00 177.10 175.23 2jm3 h LYS 13 N 9.11 0.00 0.11 0.00 2.10 -1.97 -2.85 116.57 123.07 2jm3 h LYS 13 Ca -0.28 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.14 2jm3 h LYS 13 Cb 1.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 2jm3 h LYS 13 CO 1.04 0.00 -1.10 0.74 -2.00 0.00 0.00 179.45 178.12 2jm3 h PHE 14 N 0.00 0.41 0.00 0.07 0.04 -1.95 -2.77 116.94 112.74 2jm3 h PHE 14 Ca 0.00 -0.30 -0.09 0.00 2.80 0.00 0.00 57.97 60.38 2jm3 h PHE 14 Cb 0.74 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.86 2jm3 h PHE 14 CO 0.00 1.43 -0.45 0.00 -0.60 0.00 0.00 178.31 178.69 2jm3 h ARG 15 N -0.43 0.00 0.00 1.51 3.08 -1.90 -2.67 114.38 113.97 2jm3 h ARG 15 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.82 2jm3 h ARG 15 Cb 1.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.68 2jm3 h ARG 15 CO 0.07 0.45 0.00 0.77 -1.07 0.00 0.00 179.97 180.18 2jm3 h SER 16 N 0.00 0.00 0.39 7.04 0.02 -1.61 -2.62 113.55 116.77 2jm3 h SER 16 Ca -0.00 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 2jm3 h SER 16 Cb 1.26 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 2jm3 h SER 16 CO 0.06 0.00 -0.37 -0.09 -1.14 0.00 0.00 176.83 175.29 2jm3 h ARG 17 N 0.00 0.00 0.00 3.45 2.43 -1.16 -3.40 114.38 115.70 2jm3 h ARG 17 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2jm3 h ARG 17 Cb 0.64 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 2jm3 h ARG 17 CO 0.00 0.37 0.00 0.66 -1.51 0.00 0.00 179.97 179.49 2jm3 n TYR 18 N -4.05 0.00 -2.38 2.20 4.01 -1.09 -4.95 117.16 110.89 2jm3 n TYR 18 Ca -0.02 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.66 2jm3 n TYR 18 Cb 0.41 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.49 2jm3 n TYR 18 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2jm3 n ARG 19 N 0.00 2.02 0.00 -0.72 5.12 -1.25 -4.94 116.66 116.89 2jm3 n ARG 19 Ca 0.00 -3.44 0.00 0.00 -1.93 0.00 0.00 57.85 52.48 2jm3 n ARG 19 Cb 0.00 -1.56 0.00 0.00 -1.16 0.00 0.00 32.46 29.74 2jm3 n ARG 19 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2jm3 n GLY 20 N -0.52 2.46 0.00 -0.13 0.00 -1.01 -4.87 105.19 101.12 2jm3 n GLY 20 Ca 0.20 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2jm3 n GLY 20 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2jm3 n LEU 21 N 0.00 0.00 -3.71 0.99 -0.00 -1.25 -4.55 117.00 108.49 2jm3 n LEU 21 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 56.01 55.78 2jm3 n LEU 21 Cb 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 43.46 2jm3 n LEU 21 CO 0.00 0.00 0.01 -0.62 -0.00 0.00 0.00 177.39 176.78 2jm3 n GLU 22 N 0.00 -5.40 0.13 1.47 4.71 -1.26 -4.74 120.64 115.55 2jm3 n GLU 22 Ca 0.00 0.65 -0.00 0.00 -0.01 0.00 0.00 57.16 57.80 2jm3 n GLU 22 Cb 0.00 -5.36 0.12 0.00 -1.01 0.00 0.00 31.44 25.19 2jm3 n GLU 22 CO 0.00 0.00 0.00 0.38 0.09 0.00 0.00 177.13 177.60 2jm3 h ASP 23 N -1.97 0.00 -6.40 1.62 3.04 -1.93 -3.47 116.42 107.31 2jm3 h ASP 23 Ca -0.60 0.00 -0.49 0.00 -3.24 0.00 0.00 57.03 52.70 2jm3 h ASP 23 Cb 1.36 0.00 -0.07 0.00 -1.04 0.00 0.00 39.33 39.58 2jm3 h ASP 23 CO 0.58 0.63 -0.77 -3.20 -2.04 0.00 0.00 179.24 174.44 2jm3 n ASN 24 N -3.52 -4.49 -3.12 4.15 5.15 -1.26 -4.97 115.26 107.20 2jm3 n ASN 24 Ca -0.00 -0.83 -0.11 0.00 -0.60 0.00 0.00 54.58 53.04 2jm3 n ASN 24 Cb 0.69 -3.65 -0.01 0.00 -0.53 0.00 0.00 39.78 36.28 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 -4.63 1.27 -3.50 1.20 1.74 -1.26 -5.10 116.66 106.38 2jm3 n ARG 25 Ca 0.05 -1.42 -0.42 0.00 -0.77 0.00 0.00 57.85 55.29 2jm3 n ARG 25 Cb 0.52 0.23 -0.10 0.00 -1.02 0.00 0.00 32.46 32.09 2jm3 n ARG 25 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2jm3 s HIS 26 N -1.29 3.26 -0.55 -1.55 3.76 -1.26 -5.00 115.29 112.66 2jm3 s HIS 26 Ca 0.09 -0.91 -0.26 0.00 -0.15 0.00 0.00 55.06 53.82 2jm3 s HIS 26 Cb -0.01 -2.73 0.03 0.00 1.11 0.00 0.00 32.58 30.99 2jm3 s HIS 26 CO 0.05 -0.69 1.06 -0.06 -0.85 0.00 0.00 174.74 174.25 2jm3 s PHE 27 N 1.60 2.72 0.32 1.40 0.08 -1.26 -2.71 117.98 120.12 2jm3 s PHE 27 Ca 0.04 0.24 -0.27 0.00 0.12 0.00 0.00 56.93 57.06 2jm3 s PHE 27 Cb -0.21 -4.28 -0.10 0.00 -0.57 0.00 0.00 43.02 37.86 2jm3 s PHE 27 CO 0.07 -1.44 0.98 0.71 -0.10 0.00 0.00 175.22 175.45 2jm3 s TYR 28 N 4.41 3.65 -0.88 0.36 2.02 0.74 -4.75 117.35 122.90 2jm3 s TYR 28 Ca 0.37 1.77 0.09 0.00 -0.37 0.00 0.00 57.07 58.94 2jm3 s TYR 28 Cb -0.10 -3.01 0.47 0.00 -0.40 0.00 0.00 41.96 38.92 2jm3 s TYR 28 CO 0.23 0.01 1.26 0.54 -1.57 0.00 0.00 175.55 176.02 2jm3 n ARG 29 N 0.67 3.03 -1.90 -0.62 5.12 -1.26 -0.85 116.66 120.85 2jm3 n ARG 29 Ca 0.01 -1.81 -0.01 0.00 -1.93 0.00 0.00 57.85 54.12 2jm3 n ARG 29 Cb 0.49 -1.82 -0.01 0.00 -1.16 0.00 0.00 32.46 29.96 2jm3 n ARG 29 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 2jm3 n ILE 30 N 0.47 -8.89 -1.58 0.55 -0.00 -1.26 -4.69 119.36 103.95 2jm3 n ILE 30 Ca 0.16 1.84 -0.63 0.00 -0.00 0.00 0.00 62.75 64.12 2jm3 n ILE 30 Cb 0.72 -4.99 -0.10 0.00 -0.00 0.00 0.00 39.64 35.26 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 1.07 0.25 -0.89 0.38 -0.02 -1.26 -4.84 135.00 129.69 2jm3 n PRO 31 Ca -0.07 0.09 0.07 0.00 -2.02 0.00 0.00 63.50 61.56 2jm3 n PRO 31 Cb 0.11 -1.66 0.41 0.00 -0.02 0.00 0.00 33.50 32.34 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 5.48 4.87 -3.33 -0.52 2.85 -1.26 -3.60 118.16 122.65 2jm3 n LYS 32 Ca 0.38 -3.15 -0.08 0.00 -1.05 0.00 0.00 58.31 54.41 2jm3 n LYS 32 Cb -0.01 -2.26 -0.07 0.00 -0.65 0.00 0.00 35.03 32.04 2jm3 n LYS 32 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 2jm3 s ARG 33 N -2.72 0.37 0.90 -1.58 3.52 -1.26 -4.19 118.95 113.99 2jm3 s ARG 33 Ca 0.55 0.59 -0.14 0.00 -0.13 0.00 0.00 55.73 56.60 2jm3 s ARG 33 Cb 0.41 -0.36 0.15 0.00 -1.56 0.00 0.00 34.95 33.60 2jm3 s ARG 33 CO 0.16 -0.63 1.26 -2.14 -0.81 0.00 0.00 175.30 173.15 2jm3 s PRO 34 N 2.58 1.15 0.18 5.12 0.02 -1.26 -4.89 135.00 137.90 2jm3 s PRO 34 Ca 0.13 -0.23 -0.09 0.00 0.02 0.00 0.00 61.00 60.84 2jm3 s PRO 34 Cb -0.15 -1.89 0.06 0.00 0.02 0.00 0.00 34.50 32.53 2jm3 s PRO 34 CO -0.16 -2.09 1.58 -0.07 -0.33 0.00 0.00 177.00 175.93 2jm3 h LEU 35 N -1.41 0.99 -1.32 -5.54 -0.00 -1.90 -2.73 115.31 103.41 2jm3 h LEU 35 Ca -0.45 -0.36 -0.03 0.00 -0.00 0.00 0.00 57.88 57.04 2jm3 h LEU 35 Cb 1.27 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 41.64 2jm3 h LEU 35 CO 0.49 1.14 0.11 0.40 -0.00 0.00 0.00 178.44 180.57 2jm3 h ILE 36 N 0.85 1.17 -0.43 1.22 1.08 -1.95 -0.36 117.51 119.09 2jm3 h ILE 36 Ca 0.12 -0.60 -0.05 0.00 -0.39 0.00 0.00 64.86 63.94 2jm3 h ILE 36 Cb 0.75 0.76 -0.02 0.00 -3.07 0.00 0.00 36.82 35.24 2jm3 h ILE 36 CO 0.06 0.22 0.08 0.25 -0.69 0.00 0.00 178.15 178.07 2jm3 h LEU 37 N 0.56 0.68 -0.87 1.44 5.85 -1.84 0.73 115.31 121.86 2jm3 h LEU 37 Ca 0.13 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 2jm3 h LEU 37 Cb 0.20 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 2jm3 h LEU 37 CO -0.01 0.76 0.49 -0.09 -0.34 0.00 0.00 178.44 179.25 2jm3 h ARG 38 N 0.57 1.20 -0.40 1.25 2.43 -1.13 0.20 114.38 118.50 2jm3 h ARG 38 Ca 0.13 -0.13 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 2jm3 h ARG 38 Cb 0.36 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 2jm3 h ARG 38 CO 0.01 0.87 0.01 1.96 -1.51 0.00 0.00 179.97 181.31 2jm3 h GLN 39 N 1.21 0.62 0.00 0.20 4.20 -0.65 -1.80 115.11 118.89 2jm3 h GLN 39 Ca 0.31 -0.14 -0.10 0.00 0.06 0.00 0.00 58.65 58.77 2jm3 h GLN 39 Cb 0.00 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 2jm3 h GLN 39 CO -0.05 0.63 -0.50 0.00 -0.67 0.00 0.00 178.83 178.25 2jm3 h ARG 40 N 0.59 0.00 0.00 1.46 2.47 -0.22 -3.00 114.38 115.69 2jm3 h ARG 40 Ca 0.13 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.83 2jm3 h ARG 40 Cb 0.36 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.67 2jm3 h ARG 40 CO 0.01 0.50 -0.06 -1.49 0.56 0.00 0.00 179.97 179.48 2jm3 h TRP 41 N 0.00 0.00 0.00 3.04 4.06 -0.08 -1.11 115.95 121.86 2jm3 h TRP 41 Ca -0.00 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.94 2jm3 h TRP 41 Cb 1.11 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.27 2jm3 h TRP 41 CO 0.00 0.06 -0.02 -0.07 -3.56 0.00 0.00 178.44 174.86 2jm3 h LEU 42 N 0.00 0.00 -1.36 -4.49 3.38 -1.40 -3.00 115.31 108.44 2jm3 h LEU 42 Ca -0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2jm3 h LEU 42 Cb 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2jm3 h LEU 42 CO 0.01 0.02 0.44 0.74 0.09 0.00 0.00 178.44 179.74 2jm3 h THR 43 N 0.00 1.15 0.07 0.22 2.02 -1.36 0.18 112.91 115.20 2jm3 h THR 43 Ca -0.00 -0.30 -0.27 0.00 0.77 0.00 0.00 66.41 66.61 2jm3 h THR 43 Cb 0.31 0.20 0.02 0.00 -1.74 0.00 0.00 68.15 66.93 2jm3 h THR 43 CO 0.00 0.16 -1.13 0.00 0.37 0.00 0.00 175.52 174.92 2jm3 h ALA 44 N 1.59 0.14 0.00 6.16 0.00 -1.71 -3.29 119.26 122.16 2jm3 h ALA 44 Ca 0.25 -0.77 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 2jm3 h ALA 44 Cb -0.06 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2jm3 h ALA 44 CO -0.06 0.78 -0.58 -0.84 0.00 0.00 0.00 179.25 178.55 2jm3 h ILE 45 N 0.24 0.02 -0.90 0.00 3.07 -1.61 -3.43 117.51 114.90 2jm3 h ILE 45 Ca -0.14 -1.03 -0.17 0.00 1.55 0.00 0.00 64.86 65.07 2jm3 h ILE 45 Cb 1.80 1.73 -0.03 0.00 -0.27 0.00 0.00 36.82 40.05 2jm3 h ILE 45 CO 0.21 0.01 -0.20 0.61 -1.05 0.00 0.00 178.15 177.73 2jm3 n GLY 46 N 1.15 0.42 2.22 0.16 0.00 0.60 -4.58 105.19 105.16 2jm3 n GLY 46 Ca 0.02 -0.58 -0.17 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.19 1.08 -3.24 1.61 1.74 -1.09 -5.05 116.66 109.52 2jm3 n ARG 47 Ca -0.10 -2.08 -0.14 0.00 -0.77 0.00 0.00 57.85 54.77 2jm3 n ARG 47 Cb 0.46 0.32 -0.03 0.00 -1.02 0.00 0.00 32.46 32.19 2jm3 n ARG 47 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2jm3 n THR 48 N -1.12 0.00 0.19 0.55 -1.04 -1.26 -4.74 114.28 106.87 2jm3 n THR 48 Ca -0.04 -1.18 0.06 0.00 -2.04 0.00 0.00 64.05 60.85 2jm3 n THR 48 Cb 0.37 0.34 0.35 0.00 -1.82 0.00 0.00 70.33 69.58 2jm3 n THR 48 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2jm3 h GLU 49 N 0.00 0.00 0.00 -2.82 5.08 -1.97 -1.97 114.58 112.90 2jm3 h GLU 49 Ca -0.18 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2jm3 h GLU 49 Cb 0.61 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 2jm3 h GLU 49 CO 0.29 0.35 -0.00 0.93 -1.00 0.00 0.00 179.01 179.57 2jm3 h GLU 50 N 0.00 0.00 -0.41 2.33 4.39 -2.00 -3.16 114.58 115.73 2jm3 h GLU 50 Ca -0.00 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 2jm3 h GLU 50 Cb 0.88 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.49 2jm3 h GLU 50 CO 0.05 0.00 0.05 0.25 -1.16 0.00 0.00 179.01 178.19 2jm3 n THR 51 N -3.10 2.53 -4.30 1.13 -2.24 -0.79 -4.98 114.28 102.53 2jm3 n THR 51 Ca 0.04 -1.88 -0.20 0.00 -2.27 0.00 0.00 64.05 59.74 2jm3 n THR 51 Cb 0.52 -0.29 -0.08 0.00 -2.10 0.00 0.00 70.33 68.38 2jm3 n THR 51 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2jm3 s VAL 52 N -2.91 0.02 -1.25 2.28 0.11 -0.92 -4.65 120.40 113.08 2jm3 s VAL 52 Ca 0.47 -2.00 -0.19 0.00 -2.93 0.00 0.00 61.98 57.33 2jm3 s VAL 52 Cb 0.38 -2.49 0.03 0.00 -1.53 0.00 0.00 36.38 32.77 2jm3 s VAL 52 CO 0.10 0.00 0.36 1.33 -3.33 0.00 0.00 175.10 173.56 2jm3 n VAL 53 N -0.65 -1.77 0.00 2.04 0.24 -1.26 -4.81 118.33 112.12 2jm3 n VAL 53 Ca 0.07 -0.51 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 2jm3 n VAL 53 Cb 0.62 -1.56 0.00 0.00 -1.47 0.00 0.00 33.84 31.43 2jm3 n VAL 53 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2jm3 n SER 54 N -2.19 0.00 -0.86 -1.34 3.41 -1.26 -4.94 113.62 106.44 2jm3 n SER 54 Ca -0.19 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.51 2jm3 n SER 54 Cb 0.57 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.68 2jm3 n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jm3 n GLN 55 N 0.00 2.12 -2.87 4.33 1.13 -1.26 -4.93 117.38 115.89 2jm3 n GLN 55 Ca 0.00 -1.96 -0.42 0.00 -1.94 0.00 0.00 57.00 52.69 2jm3 n GLN 55 Cb 0.00 -1.38 -0.04 0.00 0.11 0.00 0.00 30.24 28.93 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 -1.23 4.14 0.01 1.08 2.96 -1.26 -4.56 118.68 119.82 2jm3 s LEU 56 Ca 0.29 1.15 0.04 0.00 -0.22 0.00 0.00 54.13 55.39 2jm3 s LEU 56 Cb 0.17 -3.25 -0.01 0.00 0.50 0.00 0.00 46.19 43.60 2jm3 s LEU 56 CO 0.23 -0.46 -0.13 -0.13 -1.32 0.00 0.00 176.35 174.54 2jm3 s ARG 57 N 2.44 1.01 -0.22 1.98 0.52 -1.17 -4.46 118.95 119.04 2jm3 s ARG 57 Ca 0.38 -0.57 -0.06 0.00 -0.52 0.00 0.00 55.73 54.96 2jm3 s ARG 57 Cb -0.16 -0.99 -0.03 0.00 0.52 0.00 0.00 34.95 34.30 2jm3 s ARG 57 CO 0.10 0.26 0.03 0.42 0.02 0.00 0.00 175.30 176.13 2jm3 s ILE 58 N -0.50 4.11 0.54 1.52 -1.09 -0.03 0.10 121.20 125.84 2jm3 s ILE 58 Ca 0.04 -0.25 -0.21 0.00 -2.23 0.00 0.00 60.65 58.00 2jm3 s ILE 58 Cb -0.06 -2.89 -0.05 0.00 -1.58 0.00 0.00 42.46 37.88 2jm3 s ILE 58 CO 0.00 0.39 1.25 0.00 -1.23 0.00 0.00 174.94 175.35 2jm3 n SER 60 N -1.09 0.00 -0.06 0.00 3.41 -1.10 -2.45 113.62 112.32 2jm3 n SER 60 Ca 0.11 -0.53 0.14 0.00 -0.26 0.00 0.00 58.87 58.33 2jm3 n SER 60 Cb 0.48 -0.10 0.67 0.00 -0.26 0.00 0.00 64.21 64.99 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 -1.10 2.65 -0.52 7.33 0.00 -1.26 -3.36 120.51 124.25 2jm3 n ALA 61 Ca 0.16 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2jm3 n ALA 61 Cb 0.13 -1.40 0.28 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.13 1.78 -4.12 0.00 -0.00 -1.03 -4.78 115.22 105.94 2jm3 n HIS 62 Ca 0.14 -0.76 -0.13 0.00 -0.00 0.00 0.00 57.72 56.97 2jm3 n HIS 62 Cb 0.26 -0.50 -0.11 0.00 -0.00 0.00 0.00 29.99 29.64 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 -2.40 0.84 -0.30 4.41 0.40 -1.21 0.02 117.98 119.74 2jm3 s PHE 63 Ca 0.43 -0.65 -0.29 0.00 -0.60 0.00 0.00 56.93 55.82 2jm3 s PHE 63 Cb 0.33 -0.48 -0.01 0.00 0.51 0.00 0.00 43.02 43.37 2jm3 s PHE 63 CO 0.11 -0.08 1.56 -1.21 0.70 0.00 0.00 175.22 176.31 2jm3 s GLU 64 N -2.49 3.67 0.00 0.44 0.41 -1.26 -2.97 118.70 116.50 2jm3 s GLU 64 Ca -0.00 1.40 0.00 0.00 -0.41 0.00 0.00 54.97 55.95 2jm3 s GLU 64 Cb -0.04 -4.04 0.00 0.00 -1.78 0.00 0.00 34.13 28.27 2jm3 s GLU 64 CO -0.01 -1.44 0.00 0.41 -0.49 0.00 0.00 175.26 173.73 2jm3 n GLY 65 N 4.86 2.27 0.00 -1.39 0.00 -1.26 -4.26 105.19 105.41 2jm3 n GLY 65 Ca 0.19 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.46 3.63 -0.02 0.00 -1.16 -5.05 105.19 103.04 2jm3 n GLY 66 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2jm3 n GLY 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2jm3 s GLU 67 N -0.74 4.07 -0.41 1.61 -1.05 -1.26 -4.74 118.70 116.18 2jm3 s GLU 67 Ca 0.00 0.10 -0.22 0.00 -0.15 0.00 0.00 54.97 54.70 2jm3 s GLU 67 Cb 0.00 -3.62 0.02 0.00 -0.44 0.00 0.00 34.13 30.09 2jm3 s GLU 67 CO 0.00 -0.21 0.74 0.21 0.95 0.00 0.00 175.26 176.95 2jm3 s LYS 68 N 1.86 3.54 0.68 -4.83 2.20 -1.26 -4.92 119.74 117.01 2jm3 s LYS 68 Ca 0.16 0.00 -0.05 0.00 -0.36 0.00 0.00 55.97 55.73 2jm3 s LYS 68 Cb -0.15 -3.88 0.06 0.00 -1.51 0.00 0.00 37.83 32.35 2jm3 s LYS 68 CO 0.09 -0.95 0.97 0.15 -0.36 0.00 0.00 175.35 175.25 2jm3 s LYS 69 N 3.06 2.20 -1.16 4.03 1.02 -1.26 -4.94 119.74 122.68 2jm3 s LYS 69 Ca 0.28 -0.41 -0.17 0.00 0.02 0.00 0.00 55.97 55.69 2jm3 s LYS 69 Cb -0.13 -2.23 -0.04 0.00 -0.52 0.00 0.00 37.83 34.90 2jm3 s LYS 69 CO 0.19 -1.18 2.10 0.39 -0.92 0.00 0.00 175.35 175.93 2jm3 n GLU 70 N -2.82 2.27 0.00 1.68 -0.58 -1.26 -1.91 120.64 118.02 2jm3 n GLU 70 Ca 0.09 -2.28 0.00 0.00 -0.42 0.00 0.00 57.16 54.55 2jm3 n GLU 70 Cb 0.60 -3.13 0.00 0.00 -0.57 0.00 0.00 31.44 28.34 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 4.29 0.02 3.64 0.62 0.00 -1.26 -4.75 105.19 107.75 2jm3 n GLY 71 Ca 0.51 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 6.91 0.12 1.61 1.01 -0.80 0.17 116.67 125.68 2jm3 s ASP 72 Ca 0.00 1.11 -0.13 0.00 0.71 0.00 0.00 52.55 54.23 2jm3 s ASP 72 Cb 0.00 -2.54 -0.07 0.00 1.01 0.00 0.00 42.92 41.32 2jm3 s ASP 72 CO 0.00 -0.89 0.50 -0.63 0.21 0.00 0.00 175.17 174.36 2jm3 s ILE 73 N 3.71 4.92 0.87 0.77 1.01 -0.98 -4.75 121.20 126.76 2jm3 s ILE 73 Ca 0.47 0.76 -0.11 0.00 0.00 0.00 0.00 60.65 61.76 2jm3 s ILE 73 Cb -0.13 -3.72 0.12 0.00 0.01 0.00 0.00 42.46 38.73 2jm3 s ILE 73 CO 0.16 0.29 1.09 -2.16 0.00 0.00 0.00 174.94 174.33 2jm3 s PRO 74 N -1.84 1.44 0.09 2.79 0.04 -1.26 -4.41 135.00 131.86 2jm3 s PRO 74 Ca 0.35 0.97 0.02 0.00 0.04 0.00 0.00 61.00 62.39 2jm3 s PRO 74 Cb -0.15 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 2jm3 s PRO 74 CO 0.18 -2.16 -0.08 0.14 0.04 0.00 0.00 177.00 175.13 2jm3 s VAL 75 N -2.89 0.74 0.23 -0.36 -7.23 0.10 -4.51 120.40 106.49 2jm3 s VAL 75 Ca 0.63 -1.77 0.26 0.00 -1.81 0.00 0.00 61.98 59.29 2jm3 s VAL 75 Cb -0.18 -1.48 0.27 0.00 0.56 0.00 0.00 36.38 35.54 2jm3 s VAL 75 CO 0.57 -0.74 1.92 1.55 -0.31 0.00 0.00 175.10 178.09 2jm3 h PRO 76 N 3.27 0.00 -0.79 4.82 0.13 -1.84 -3.43 132.00 134.16 2jm3 h PRO 76 Ca -0.36 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 64.94 2jm3 h PRO 76 Cb 1.18 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.09 2jm3 h PRO 76 CO 0.59 0.17 0.02 0.34 -0.23 0.00 0.00 178.00 178.90 2jm3 s ASP 77 N -6.12 -0.80 0.59 1.44 -1.08 -1.26 -4.95 116.67 104.49 2jm3 s ASP 77 Ca -0.01 0.66 0.34 0.00 -0.52 0.00 0.00 52.55 53.03 2jm3 s ASP 77 Cb 0.11 1.74 1.86 0.00 -1.46 0.00 0.00 42.92 45.17 2jm3 s ASP 77 CO 0.61 -0.15 2.21 -0.65 0.52 0.00 0.00 175.17 177.71 2jm3 h PRO 78 N 7.88 0.00 0.03 4.34 0.11 -1.82 0.27 132.00 142.81 2jm3 h PRO 78 Ca -0.17 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.56 2jm3 h PRO 78 Cb 1.15 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.21 2jm3 h PRO 78 CO 0.06 0.04 -2.16 0.25 -0.21 0.00 0.00 178.00 175.98 2jm3 n THR 79 N -3.46 1.57 0.11 -1.15 -2.24 -1.26 -4.55 114.28 103.30 2jm3 n THR 79 Ca -0.02 -0.42 -0.21 0.00 -2.27 0.00 0.00 64.05 61.13 2jm3 n THR 79 Cb 0.15 -1.75 -0.15 0.00 -2.10 0.00 0.00 70.33 66.48 2jm3 n THR 79 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2jm3 h VAL 80 N -0.49 1.28 -6.13 2.28 2.07 -1.95 -3.47 116.25 109.84 2jm3 h VAL 80 Ca -0.54 -2.80 -0.42 0.00 0.82 0.00 0.00 66.70 63.76 2jm3 h VAL 80 Cb 1.72 2.94 0.02 0.00 -1.52 0.00 0.00 31.29 34.45 2jm3 h VAL 80 CO -0.18 0.84 -0.07 -0.67 0.02 0.00 0.00 177.57 177.51 2jm3 n ASP 81 N -3.60 1.85 -4.25 0.57 -0.08 0.94 -5.03 116.55 106.95 2jm3 n ASP 81 Ca -0.15 -2.33 -0.40 0.00 -1.51 0.00 0.00 54.79 50.40 2jm3 n ASP 81 Cb 1.07 -0.33 -0.10 0.00 2.34 0.00 0.00 41.12 44.10 2jm3 n ASP 81 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2jm3 s LYS 82 N -4.19 2.53 -0.45 -0.67 1.02 -1.26 -4.65 119.74 112.07 2jm3 s LYS 82 Ca 0.49 -1.53 -0.40 0.00 0.02 0.00 0.00 55.97 54.54 2jm3 s LYS 82 Cb -0.04 -3.77 -0.17 0.00 -0.52 0.00 0.00 37.83 33.33 2jm3 s LYS 82 CO 0.31 -0.99 1.87 0.94 -0.92 0.00 0.00 175.35 176.56 2jm3 n GLN 83 N 4.88 0.00 -3.44 1.68 -0.06 -1.26 -4.90 117.38 114.28 2jm3 n GLN 83 Ca -0.09 0.00 -0.39 0.00 -2.00 0.00 0.00 57.00 54.52 2jm3 n GLN 83 Cb 0.42 -1.36 -0.10 0.00 -4.06 0.00 0.00 30.24 25.15 2jm3 n GLN 83 CO 0.00 0.00 0.00 0.96 -0.20 0.00 0.00 177.06 177.82 2jm3 s ILE 84 N 5.05 5.20 0.04 1.69 -4.36 -1.26 -5.06 121.20 122.50 2jm3 s ILE 84 Ca 1.07 0.34 0.00 0.00 -0.26 0.00 0.00 60.65 61.80 2jm3 s ILE 84 Cb -1.36 -3.69 -0.03 0.00 1.25 0.00 0.00 42.46 38.63 2jm3 s ILE 84 CO 0.62 0.11 -0.04 -1.59 0.24 0.00 0.00 174.94 174.28 2jm3 s LYS 85 N 1.99 0.51 -0.13 0.37 -2.85 -1.26 -2.31 119.74 116.05 2jm3 s LYS 85 Ca 0.12 -0.91 -0.05 0.00 -1.00 0.00 0.00 55.97 54.13 2jm3 s LYS 85 Cb -0.16 0.02 -0.04 0.00 -2.06 0.00 0.00 37.83 35.59 2jm3 s LYS 85 CO 0.11 -0.04 0.06 0.42 0.10 0.00 0.00 175.35 175.99 2jm3 s ILE 86 N -2.43 4.83 -0.15 3.79 1.01 0.13 -4.92 121.20 123.45 2jm3 s ILE 86 Ca -0.05 -0.04 -0.27 0.00 0.00 0.00 0.00 60.65 60.30 2jm3 s ILE 86 Cb -0.03 -3.10 -0.01 0.00 0.01 0.00 0.00 42.46 39.33 2jm3 s ILE 86 CO -0.04 0.56 0.90 -0.70 0.00 0.00 0.00 174.94 175.66 2jm3 s GLU 87 N -0.53 4.34 0.14 2.79 2.56 -1.26 -4.47 118.70 122.26 2jm3 s GLU 87 Ca 0.10 1.16 -0.30 0.00 0.00 0.00 0.00 54.97 55.93 2jm3 s GLU 87 Cb -0.12 -3.56 -0.06 0.00 2.00 0.00 0.00 34.13 32.38 2jm3 s GLU 87 CO 0.02 -0.33 1.01 -1.17 -0.56 0.00 0.00 175.26 174.22 2jm3 s LEU 88 N 2.13 4.50 0.36 2.70 2.96 -1.26 -5.00 118.68 125.07 2jm3 s LEU 88 Ca 0.42 1.89 -0.26 0.00 -0.22 0.00 0.00 54.13 55.96 2jm3 s LEU 88 Cb -0.17 -3.59 -0.13 0.00 0.50 0.00 0.00 46.19 42.80 2jm3 s LEU 88 CO 0.14 -0.11 0.91 -0.81 -1.32 0.00 0.00 176.35 175.16 2jm3 n PRO 89 N 2.63 1.17 -1.59 0.98 -0.04 -1.26 -4.76 135.00 132.13 2jm3 n PRO 89 Ca 0.02 0.42 -0.62 0.00 -0.04 0.00 0.00 63.50 63.28 2jm3 n PRO 89 Cb 0.48 -1.83 -0.09 0.00 -0.04 0.00 0.00 33.50 32.03 2jm3 n PRO 89 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2jm3 n PRO 90 N 0.50 0.06 0.00 0.54 -0.02 -1.26 -5.27 135.00 129.54 2jm3 n PRO 90 Ca 0.10 0.02 0.13 0.00 -2.02 0.00 0.00 63.50 61.73 2jm3 n PRO 90 Cb 0.36 -1.53 0.26 0.00 -0.02 0.00 0.00 33.50 32.57 2jm3 n PRO 90 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65