#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jm3 h SER 2 N 0.00 0.59 -3.33 1.61 0.02 -2.01 -3.39 113.55 107.04 2jm3 h SER 2 Ca 0.00 -0.02 -0.56 0.00 -0.84 0.00 0.00 61.79 60.37 2jm3 h SER 2 Cb 0.00 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.34 2jm3 h SER 2 CO 0.00 0.44 0.33 -0.32 -1.14 0.00 0.00 176.83 176.14 2jm3 s MET 3 N -5.58 4.39 -0.98 3.45 -2.45 -1.26 -4.96 119.30 111.92 2jm3 s MET 3 Ca -0.09 1.10 -0.25 0.00 -1.25 0.00 0.00 55.69 55.20 2jm3 s MET 3 Cb 0.17 -3.52 -0.11 0.00 1.25 0.00 0.00 34.83 32.63 2jm3 s MET 3 CO 0.75 -0.18 2.07 -1.25 1.05 0.00 0.00 175.02 177.46 2jm3 s PRO 4 N 1.60 2.11 -0.24 4.11 0.04 -1.26 -4.92 135.00 136.43 2jm3 s PRO 4 Ca 0.42 -0.36 -0.09 0.00 0.04 0.00 0.00 61.00 61.00 2jm3 s PRO 4 Cb -0.18 -5.03 -0.04 0.00 0.04 0.00 0.00 34.50 29.28 2jm3 s PRO 4 CO 0.17 -4.11 0.13 0.99 0.04 0.00 0.00 177.00 174.22 2jm3 s THR 5 N 12.47 5.06 0.12 1.26 2.01 -1.26 -5.04 115.64 130.26 2jm3 s THR 5 Ca 0.76 0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.87 2jm3 s THR 5 Cb -0.06 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 2jm3 s THR 5 CO 0.08 0.35 -0.09 -0.89 -0.69 0.00 0.00 174.62 173.38 2jm3 s THR 6 N 1.16 0.93 0.80 -0.82 2.01 -1.26 -4.76 115.64 113.69 2jm3 s THR 6 Ca 0.06 -1.93 -0.14 0.00 0.31 0.00 0.00 61.69 60.00 2jm3 s THR 6 Cb -0.14 -1.69 0.08 0.00 0.01 0.00 0.00 72.50 70.76 2jm3 s THR 6 CO 0.05 -0.77 1.21 0.00 -0.69 0.00 0.00 174.62 174.43 2jm3 n GLY 8 N 0.58 0.19 3.77 0.00 0.00 0.19 -4.62 105.19 105.30 2jm3 n GLY 8 Ca 0.14 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.07 3.22 0.48 1.61 0.40 -1.26 -4.92 117.98 115.44 2jm3 s PHE 9 Ca 0.18 1.54 0.27 0.00 -0.60 0.00 0.00 56.93 58.32 2jm3 s PHE 9 Cb 0.16 -3.49 1.54 0.00 0.51 0.00 0.00 43.02 41.74 2jm3 s PHE 9 CO 0.43 -1.32 2.13 -1.00 0.70 0.00 0.00 175.22 176.15 2jm3 h PRO 10 N 3.33 0.00 -1.78 0.24 0.13 -1.94 -3.36 132.00 128.63 2jm3 h PRO 10 Ca -0.48 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.25 2jm3 h PRO 10 Cb 1.22 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.07 2jm3 h PRO 10 CO 0.65 0.08 -0.77 1.21 -0.23 0.00 0.00 178.00 178.94 2jm3 s ASN 11 N -6.26 0.18 -0.82 1.44 2.47 -1.26 -5.07 114.94 105.61 2jm3 s ASN 11 Ca -0.04 -2.49 -0.25 0.00 0.42 0.00 0.00 52.86 50.49 2jm3 s ASN 11 Cb 0.14 0.57 0.01 0.00 -1.45 0.00 0.00 41.25 40.52 2jm3 s ASN 11 CO 0.58 -0.12 1.56 0.00 -3.72 0.00 0.00 177.10 175.40 2jm3 n LYS 13 N 9.12 0.94 -0.01 0.00 2.85 -1.26 -2.72 118.16 127.07 2jm3 n LYS 13 Ca 0.21 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.36 2jm3 n LYS 13 Cb 0.50 -1.15 -0.14 0.00 -0.65 0.00 0.00 35.03 33.59 2jm3 n LYS 13 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 177.40 178.09 2jm3 h PHE 14 N 0.00 0.10 -0.35 5.58 -1.00 -1.87 -2.43 116.94 116.97 2jm3 h PHE 14 Ca 0.00 -0.08 -0.05 0.00 2.81 0.00 0.00 57.97 60.65 2jm3 h PHE 14 Cb 0.00 -0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.54 2jm3 h PHE 14 CO 0.00 1.15 -0.01 -0.09 -1.61 0.00 0.00 178.31 177.74 2jm3 h ARG 15 N 0.02 0.55 -0.00 1.51 2.43 -1.37 -1.46 114.38 116.06 2jm3 h ARG 15 Ca -0.29 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 2jm3 h ARG 15 Cb 2.00 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.48 2jm3 h ARG 15 CO 0.09 0.59 -0.19 -1.13 -1.51 0.00 0.00 179.97 177.81 2jm3 n SER 16 N -4.26 0.39 0.04 -3.80 3.41 -1.24 -3.86 113.62 104.30 2jm3 n SER 16 Ca 0.02 -0.24 -0.19 0.00 -0.26 0.00 0.00 58.87 58.19 2jm3 n SER 16 Cb 0.26 -0.08 -0.13 0.00 -0.26 0.00 0.00 64.21 63.99 2jm3 n SER 16 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2jm3 h ARG 17 N 0.31 0.37 -6.62 4.33 2.43 -0.75 -3.47 114.38 110.99 2jm3 h ARG 17 Ca 0.00 -0.52 -0.46 0.00 -0.81 0.00 0.00 59.98 58.19 2jm3 h ARG 17 Cb 0.44 0.18 0.03 0.00 -0.42 0.00 0.00 29.97 30.19 2jm3 h ARG 17 CO 0.00 1.21 -0.14 0.71 -1.51 0.00 0.00 179.97 180.24 2jm3 s TYR 18 N -2.78 1.95 -0.53 2.20 2.02 -1.10 -5.08 117.35 114.04 2jm3 s TYR 18 Ca -0.13 -0.56 -0.00 0.00 -0.37 0.00 0.00 57.07 56.01 2jm3 s TYR 18 Cb 0.02 -2.34 0.14 0.00 -0.40 0.00 0.00 41.96 39.38 2jm3 s TYR 18 CO 0.84 -0.94 0.31 1.03 -1.57 0.00 0.00 175.55 175.22 2jm3 s ARG 19 N -4.60 2.20 0.00 -0.62 3.00 -1.26 -4.55 118.95 113.11 2jm3 s ARG 19 Ca 0.60 -2.37 0.00 0.00 0.00 0.00 0.00 55.73 53.95 2jm3 s ARG 19 Cb -0.07 -3.54 0.00 0.00 0.00 0.00 0.00 34.95 31.34 2jm3 s ARG 19 CO 0.37 -1.12 0.00 0.41 0.00 0.00 0.00 175.30 174.97 2jm3 n GLY 20 N 3.64 0.65 3.02 -3.53 0.00 -1.26 -5.02 105.19 102.69 2jm3 n GLY 20 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 2jm3 n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jm3 s LEU 21 N 0.00 4.76 0.12 0.99 1.02 -1.26 -4.97 118.68 119.34 2jm3 s LEU 21 Ca 0.00 -2.33 -0.28 0.00 0.02 0.00 0.00 54.13 51.55 2jm3 s LEU 21 Cb 0.00 -1.67 -0.06 0.00 0.02 0.00 0.00 46.19 44.48 2jm3 s LEU 21 CO 0.00 -0.37 1.61 -0.08 0.02 0.00 0.00 176.35 177.53 2jm3 h GLU 22 N 7.44 -0.48 0.00 1.70 4.57 -1.89 -3.40 114.58 122.52 2jm3 h GLU 22 Ca -0.06 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2jm3 h GLU 22 Cb 1.00 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 2jm3 h GLU 22 CO 0.58 -0.32 0.00 -3.47 -1.18 0.00 0.00 179.01 174.62 2jm3 n ASP 23 N -5.42 0.00 -2.62 1.04 2.03 -1.26 -2.88 116.55 107.44 2jm3 n ASP 23 Ca -0.05 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.10 2jm3 n ASP 23 Cb 0.34 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.73 2jm3 n ASP 23 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2jm3 n ASN 24 N 0.00 -4.26 0.00 1.67 3.02 -1.26 -4.95 115.26 109.47 2jm3 n ASN 24 Ca 0.00 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 2jm3 n ASN 24 Cb 0.00 -3.58 0.00 0.00 -0.61 0.00 0.00 39.78 35.59 2jm3 n ASN 24 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2jm3 n ARG 25 N -3.06 2.66 -3.37 3.52 1.74 -1.26 -4.80 116.66 112.09 2jm3 n ARG 25 Ca -0.14 0.00 -0.45 0.00 -0.77 0.00 0.00 57.85 56.50 2jm3 n ARG 25 Cb 0.61 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.98 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 2.52 3.26 -0.58 -1.55 3.76 -1.26 -4.97 115.29 116.47 2jm3 s HIS 26 Ca 0.00 -1.12 -0.28 0.00 -0.15 0.00 0.00 55.06 53.51 2jm3 s HIS 26 Cb 0.00 -3.40 0.03 0.00 1.11 0.00 0.00 32.58 30.31 2jm3 s HIS 26 CO 0.00 -0.89 1.23 -0.06 -0.85 0.00 0.00 174.74 174.17 2jm3 s PHE 27 N 1.61 2.54 0.49 1.40 0.40 -1.26 -2.78 117.98 120.38 2jm3 s PHE 27 Ca 0.04 0.41 -0.18 0.00 -0.60 0.00 0.00 56.93 56.59 2jm3 s PHE 27 Cb -0.26 -4.50 -0.09 0.00 0.51 0.00 0.00 43.02 38.68 2jm3 s PHE 27 CO 0.05 -1.67 0.98 0.71 0.70 0.00 0.00 175.22 175.99 2jm3 s TYR 28 N 5.15 3.36 -0.06 0.36 2.02 0.12 -4.75 117.35 123.55 2jm3 s TYR 28 Ca 0.44 1.52 -0.10 0.00 -0.37 0.00 0.00 57.07 58.55 2jm3 s TYR 28 Cb -0.08 -2.83 -0.05 0.00 -0.40 0.00 0.00 41.96 38.60 2jm3 s TYR 28 CO 0.25 -0.36 0.26 0.50 -1.57 0.00 0.00 175.55 174.64 2jm3 s ARG 29 N -3.77 3.66 -0.20 -0.62 3.00 -1.26 -2.03 118.95 117.72 2jm3 s ARG 29 Ca 0.60 0.12 -0.29 0.00 -1.00 0.00 0.00 55.73 55.16 2jm3 s ARG 29 Cb -0.10 -3.20 -0.04 0.00 0.00 0.00 0.00 34.95 31.60 2jm3 s ARG 29 CO 0.26 0.74 1.95 0.42 0.00 0.00 0.00 175.30 178.66 2jm3 s ILE 30 N -1.06 3.28 -0.37 4.11 1.09 -1.26 -4.89 121.20 122.09 2jm3 s ILE 30 Ca 0.19 0.30 -0.31 0.00 -1.10 0.00 0.00 60.65 59.73 2jm3 s ILE 30 Cb -0.14 -3.32 -0.09 0.00 -1.06 0.00 0.00 42.46 37.85 2jm3 s ILE 30 CO 0.09 -0.16 2.28 -2.65 -0.10 0.00 0.00 174.94 174.39 2jm3 n PRO 31 N 8.24 1.29 -0.15 2.79 -0.02 -1.26 -4.82 135.00 141.08 2jm3 n PRO 31 Ca 0.24 0.30 0.04 0.00 -2.02 0.00 0.00 63.50 62.06 2jm3 n PRO 31 Cb 0.45 -2.84 0.12 0.00 -0.02 0.00 0.00 33.50 31.21 2jm3 n PRO 31 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2jm3 n LYS 32 N 8.55 1.68 -3.62 -0.52 4.81 -1.26 -3.83 118.16 123.98 2jm3 n LYS 32 Ca 0.38 -1.01 -0.20 0.00 -0.87 0.00 0.00 58.31 56.62 2jm3 n LYS 32 Cb 0.35 -1.24 -0.16 0.00 0.02 0.00 0.00 35.03 34.00 2jm3 n LYS 32 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2jm3 s ARG 33 N -1.63 0.05 0.87 1.64 3.00 -1.26 -3.74 118.95 117.87 2jm3 s ARG 33 Ca 0.19 0.32 -0.13 0.00 0.00 0.00 0.00 55.73 56.11 2jm3 s ARG 33 Cb 0.10 -0.84 0.12 0.00 0.00 0.00 0.00 34.95 34.33 2jm3 s ARG 33 CO 0.12 -0.46 1.20 -1.25 0.00 0.00 0.00 175.30 174.92 2jm3 s PRO 34 N 2.25 1.49 0.18 3.54 0.04 -1.26 -4.95 135.00 136.29 2jm3 s PRO 34 Ca 0.04 0.02 -0.08 0.00 0.04 0.00 0.00 61.00 61.02 2jm3 s PRO 34 Cb -0.14 -1.90 0.08 0.00 0.04 0.00 0.00 34.50 32.58 2jm3 s PRO 34 CO -0.07 -1.90 1.60 1.25 0.04 0.00 0.00 177.00 177.91 2jm3 h LEU 35 N -1.28 0.97 -0.92 -3.56 5.85 -1.89 -2.65 115.31 111.82 2jm3 h LEU 35 Ca -0.46 -0.34 -0.09 0.00 0.84 0.00 0.00 57.88 57.83 2jm3 h LEU 35 Cb 1.31 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 2jm3 h LEU 35 CO 0.59 1.11 -0.13 0.40 -0.34 0.00 0.00 178.44 180.06 2jm3 h ILE 36 N 0.84 1.25 -0.61 4.05 1.08 -1.95 0.93 117.51 123.09 2jm3 h ILE 36 Ca 0.12 -1.13 -0.02 0.00 -0.39 0.00 0.00 64.86 63.44 2jm3 h ILE 36 Cb 0.72 1.12 -0.03 0.00 -3.07 0.00 0.00 36.82 35.56 2jm3 h ILE 36 CO 0.06 0.38 0.31 0.25 -0.69 0.00 0.00 178.15 178.45 2jm3 h LEU 37 N 0.58 0.79 -0.91 1.44 5.85 -1.87 -2.02 115.31 119.18 2jm3 h LEU 37 Ca 0.10 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 2jm3 h LEU 37 Cb 0.57 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 2jm3 h LEU 37 CO 0.04 0.69 -0.10 -0.09 -0.34 0.00 0.00 178.44 178.63 2jm3 h ARG 38 N 0.84 0.69 -0.85 1.25 2.43 -1.06 -1.13 114.38 116.55 2jm3 h ARG 38 Ca 0.21 -0.21 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 2jm3 h ARG 38 Cb 0.10 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.53 2jm3 h ARG 38 CO -0.03 0.78 0.56 0.37 -1.51 0.00 0.00 179.97 180.13 2jm3 h GLN 39 N 0.63 0.98 0.00 0.20 5.75 -0.24 -0.98 115.11 121.45 2jm3 h GLN 39 Ca 0.11 -0.06 -0.18 0.00 -0.15 0.00 0.00 58.65 58.38 2jm3 h GLN 39 Cb 0.55 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 28.85 2jm3 h GLN 39 CO 0.03 0.65 -0.84 0.00 -2.65 0.00 0.00 178.83 176.02 2jm3 h ARG 40 N 1.00 0.00 -0.29 1.69 2.47 -0.96 -3.18 114.38 115.12 2jm3 h ARG 40 Ca 0.35 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 59.09 2jm3 h ARG 40 Cb 0.12 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.43 2jm3 h ARG 40 CO -0.12 0.84 0.19 -1.49 0.56 0.00 0.00 179.97 179.95 2jm3 h TRP 41 N 0.00 0.30 0.00 3.04 4.06 0.08 -1.39 115.95 122.04 2jm3 h TRP 41 Ca -0.01 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2jm3 h TRP 41 Cb 1.55 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 29.61 2jm3 h TRP 41 CO 0.00 0.18 -0.11 -0.07 -3.56 0.00 0.00 178.44 174.88 2jm3 h LEU 42 N 0.31 0.00 -0.57 -4.49 3.38 -1.42 -3.36 115.31 109.16 2jm3 h LEU 42 Ca 0.11 -0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.16 2jm3 h LEU 42 Cb 0.07 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.74 2jm3 h LEU 42 CO -0.02 0.01 0.13 0.74 0.09 0.00 0.00 178.44 179.39 2jm3 h THR 43 N 0.00 0.68 0.00 0.22 2.02 -1.31 0.48 112.91 114.99 2jm3 h THR 43 Ca 0.00 -0.09 -0.12 0.00 0.77 0.00 0.00 66.41 66.97 2jm3 h THR 43 Cb 0.82 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 2jm3 h THR 43 CO 0.00 0.05 -0.58 0.00 0.37 0.00 0.00 175.52 175.36 2jm3 h ALA 44 N 1.45 0.72 0.00 6.16 0.00 -1.74 -2.94 119.26 122.91 2jm3 h ALA 44 Ca 0.30 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2jm3 h ALA 44 Cb 0.42 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2jm3 h ALA 44 CO -0.37 0.72 -0.28 0.44 0.00 0.00 0.00 179.25 179.77 2jm3 n ILE 45 N -3.38 0.27 -3.34 0.00 -5.35 -0.80 -4.81 119.36 101.94 2jm3 n ILE 45 Ca 0.01 -0.16 -0.18 0.00 -0.27 0.00 0.00 62.75 62.15 2jm3 n ILE 45 Cb 0.70 -0.27 0.07 0.00 -1.74 0.00 0.00 39.64 38.40 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 1.40 -0.28 3.52 3.28 0.00 0.08 -4.63 105.19 108.57 2jm3 n GLY 46 Ca 0.05 0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 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 -5.78 1.83 0.19 1.61 1.81 -0.70 -5.05 118.95 112.85 2jm3 s ARG 47 Ca 0.33 -1.77 0.00 0.00 -1.72 0.00 0.00 55.73 52.58 2jm3 s ARG 47 Cb -0.15 -1.82 -0.00 0.00 -0.45 0.00 0.00 34.95 32.54 2jm3 s ARG 47 CO 0.61 0.27 0.01 2.41 -0.68 0.00 0.00 175.30 177.92 2jm3 n THR 48 N -0.73 0.00 -0.06 0.02 -1.04 -1.26 -4.59 114.28 106.62 2jm3 n THR 48 Ca -0.05 -0.90 -0.08 0.00 -2.04 0.00 0.00 64.05 60.98 2jm3 n THR 48 Cb 0.61 0.20 -0.01 0.00 -1.82 0.00 0.00 70.33 69.31 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 0.11 0.00 -2.82 5.08 -1.98 0.78 114.58 115.74 2jm3 h GLU 49 Ca -0.15 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2jm3 h GLU 49 Cb 0.48 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2jm3 h GLU 49 CO 0.25 0.07 -0.07 0.93 -1.00 0.00 0.00 179.01 179.19 2jm3 h GLU 50 N 0.11 0.00 -0.00 2.33 3.07 -2.02 -3.18 114.58 114.89 2jm3 h GLU 50 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 2jm3 h GLU 50 Cb 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 2jm3 h GLU 50 CO -0.18 0.00 -0.51 2.41 -1.40 0.00 0.00 179.01 179.33 2jm3 n THR 51 N -3.06 0.00 -4.60 1.13 -1.04 -0.75 -4.87 114.28 101.08 2jm3 n THR 51 Ca 0.04 -0.03 -0.28 0.00 -2.04 0.00 0.00 64.05 61.74 2jm3 n THR 51 Cb 0.53 0.38 -0.09 0.00 -1.82 0.00 0.00 70.33 69.33 2jm3 n THR 51 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2jm3 s VAL 52 N -2.89 1.17 -0.22 12.58 0.11 0.19 -4.72 120.40 126.61 2jm3 s VAL 52 Ca 0.13 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.18 2jm3 s VAL 52 Cb 0.18 -2.50 0.00 0.00 -1.53 0.00 0.00 36.38 32.52 2jm3 s VAL 52 CO 0.68 0.00 0.00 0.55 -3.33 0.00 0.00 175.10 173.00 2jm3 n VAL 53 N -0.99 0.00 -0.07 2.04 3.14 -1.26 -4.75 118.33 116.45 2jm3 n VAL 53 Ca -0.09 0.00 -0.06 0.00 -2.96 0.00 0.00 64.34 61.23 2jm3 n VAL 53 Cb 0.66 -1.09 -0.02 0.00 -1.06 0.00 0.00 33.84 32.34 2jm3 n VAL 53 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 2jm3 n SER 54 N -1.02 1.46 -0.00 6.55 3.41 -1.26 -4.79 113.62 117.97 2jm3 n SER 54 Ca -0.02 0.32 0.02 0.00 -0.26 0.00 0.00 58.87 58.93 2jm3 n SER 54 Cb 0.51 -0.71 -0.02 0.00 -0.26 0.00 0.00 64.21 63.73 2jm3 n SER 54 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2jm3 n GLN 55 N -4.01 5.11 -2.69 4.33 0.00 -1.26 -5.02 117.38 113.84 2jm3 n GLN 55 Ca -0.09 -0.00 -0.42 0.00 -0.00 0.00 0.00 57.00 56.48 2jm3 n GLN 55 Cb 0.35 -0.73 -0.03 0.00 0.00 0.00 0.00 30.24 29.84 2jm3 n GLN 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2jm3 s LEU 56 N -2.30 4.26 0.05 1.69 1.43 -1.26 -4.82 118.68 117.73 2jm3 s LEU 56 Ca 0.01 1.55 0.08 0.00 -1.03 0.00 0.00 54.13 54.75 2jm3 s LEU 56 Cb 0.03 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.66 2jm3 s LEU 56 CO 0.16 -0.42 -0.23 -0.13 0.23 0.00 0.00 176.35 175.95 2jm3 s ARG 57 N 1.88 1.54 -0.17 1.70 1.81 -1.26 -4.47 118.95 119.99 2jm3 s ARG 57 Ca 0.49 -1.02 -0.02 0.00 -1.72 0.00 0.00 55.73 53.46 2jm3 s ARG 57 Cb -0.19 -1.69 -0.01 0.00 -0.45 0.00 0.00 34.95 32.61 2jm3 s ARG 57 CO 0.19 0.43 -0.10 0.42 -0.68 0.00 0.00 175.30 175.57 2jm3 s ILE 58 N -0.81 3.12 0.64 1.52 -1.09 -0.86 -0.63 121.20 123.08 2jm3 s ILE 58 Ca 0.09 -0.61 -0.18 0.00 -2.23 0.00 0.00 60.65 57.73 2jm3 s ILE 58 Cb -0.09 -2.36 -0.02 0.00 -1.58 0.00 0.00 42.46 38.41 2jm3 s ILE 58 CO 0.02 0.48 1.14 0.00 -1.23 0.00 0.00 174.94 175.36 2jm3 n SER 60 N -1.48 0.00 0.23 0.00 3.41 -1.12 -2.64 113.62 112.03 2jm3 n SER 60 Ca 0.15 -0.24 0.16 0.00 -0.26 0.00 0.00 58.87 58.68 2jm3 n SER 60 Cb 0.48 -0.24 0.62 0.00 -0.26 0.00 0.00 64.21 64.81 2jm3 n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jm3 h ALA 61 N 3.41 1.00 -0.22 7.33 0.00 -1.89 -2.94 119.26 125.95 2jm3 h ALA 61 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jm3 h ALA 61 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2jm3 h ALA 61 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.97 2jm3 n HIS 62 N -2.85 0.65 -4.20 0.00 -0.00 -1.08 -4.72 115.22 103.02 2jm3 n HIS 62 Ca 0.01 -0.24 -0.19 0.00 -0.00 0.00 0.00 57.72 57.30 2jm3 n HIS 62 Cb 0.29 -0.19 -0.16 0.00 -0.00 0.00 0.00 29.99 29.94 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 -1.63 0.71 -0.64 4.41 0.40 -1.11 -0.38 117.98 119.74 2jm3 s PHE 63 Ca 0.19 -0.18 -0.26 0.00 -0.60 0.00 0.00 56.93 56.08 2jm3 s PHE 63 Cb 0.13 -0.58 -0.06 0.00 0.51 0.00 0.00 43.02 43.02 2jm3 s PHE 63 CO 0.07 -0.13 2.16 -2.00 0.70 0.00 0.00 175.22 176.02 2jm3 s GLU 64 N 0.57 2.26 0.00 0.44 -6.30 -1.26 -1.07 118.70 113.34 2jm3 s GLU 64 Ca -0.08 0.73 0.00 0.00 -2.50 0.00 0.00 54.97 53.13 2jm3 s GLU 64 Cb -0.11 -4.63 0.00 0.00 0.00 0.00 0.00 34.13 29.39 2jm3 s GLU 64 CO 0.00 -3.31 0.00 0.41 0.02 0.00 0.00 175.26 172.38 2jm3 n GLY 65 N 6.16 2.52 1.21 -1.50 0.00 -1.26 -4.60 105.19 107.72 2jm3 n GLY 65 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.58 0.74 3.41 -0.02 0.00 -0.23 -5.05 105.19 103.45 2jm3 n GLY 66 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.56 2.06 -0.95 1.61 -1.05 -1.26 -4.77 118.70 113.78 2jm3 s GLU 67 Ca 0.00 -0.97 -0.10 0.00 -0.15 0.00 0.00 54.97 53.75 2jm3 s GLU 67 Cb 0.00 -2.14 0.24 0.00 -0.44 0.00 0.00 34.13 31.80 2jm3 s GLU 67 CO 0.00 0.55 0.91 -1.59 0.95 0.00 0.00 175.26 176.08 2jm3 s LYS 68 N -1.16 3.81 0.00 -4.83 -2.85 -1.26 -4.77 119.74 108.67 2jm3 s LYS 68 Ca 0.13 -2.86 0.00 0.00 -1.00 0.00 0.00 55.97 52.23 2jm3 s LYS 68 Cb -0.10 -4.42 0.00 0.00 -2.06 0.00 0.00 37.83 31.24 2jm3 s LYS 68 CO 0.03 -1.26 0.00 1.63 0.10 0.00 0.00 175.35 175.85 2jm3 n LYS 69 N 3.27 0.00 -2.20 1.78 4.76 -1.26 -4.82 118.16 119.68 2jm3 n LYS 69 Ca 0.19 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.20 2jm3 n LYS 69 Cb 0.42 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.62 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 3.26 -1.84 1.97 4.71 -1.26 -4.24 120.64 123.23 2jm3 n GLU 70 Ca 0.00 -3.18 -0.11 0.00 -0.01 0.00 0.00 57.16 53.86 2jm3 n GLU 70 Cb 0.00 -3.14 -0.02 0.00 -1.01 0.00 0.00 31.44 27.27 2jm3 n GLU 70 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2jm3 n GLY 71 N 3.72 0.45 3.63 0.62 0.00 -1.23 -4.10 105.19 108.28 2jm3 n GLY 71 Ca 0.45 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.66 6.38 0.07 1.61 1.01 -1.26 -0.84 116.67 120.98 2jm3 s ASP 72 Ca 0.00 1.60 -0.18 0.00 0.71 0.00 0.00 52.55 54.68 2jm3 s ASP 72 Cb 0.00 -2.53 -0.07 0.00 1.01 0.00 0.00 42.92 41.33 2jm3 s ASP 72 CO 0.00 -1.26 0.54 -0.63 0.21 0.00 0.00 175.17 174.03 2jm3 s ILE 73 N 5.19 4.80 -0.31 0.77 1.01 0.95 -4.74 121.20 128.86 2jm3 s ILE 73 Ca 0.71 1.11 -0.28 0.00 0.00 0.00 0.00 60.65 62.19 2jm3 s ILE 73 Cb -0.25 -3.85 -0.02 0.00 0.01 0.00 0.00 42.46 38.36 2jm3 s ILE 73 CO 0.29 0.53 1.78 -2.16 0.00 0.00 0.00 174.94 175.38 2jm3 s PRO 74 N -1.18 3.39 0.27 2.79 0.04 -1.26 -4.35 135.00 134.71 2jm3 s PRO 74 Ca 0.29 1.47 -0.00 0.00 0.04 0.00 0.00 61.00 62.79 2jm3 s PRO 74 Cb -0.19 -4.18 -0.04 0.00 0.04 0.00 0.00 34.50 30.14 2jm3 s PRO 74 CO 0.18 -1.79 0.47 0.14 0.04 0.00 0.00 177.00 176.04 2jm3 s VAL 75 N 6.68 5.15 0.33 -0.36 -7.23 0.49 -4.55 120.40 120.90 2jm3 s VAL 75 Ca 0.79 -0.39 0.07 0.00 -1.81 0.00 0.00 61.98 60.64 2jm3 s VAL 75 Cb -0.23 -3.79 0.09 0.00 0.56 0.00 0.00 36.38 33.01 2jm3 s VAL 75 CO 0.34 -0.34 1.79 1.55 -0.31 0.00 0.00 175.10 178.12 2jm3 h PRO 76 N 1.44 0.29 -0.67 4.82 0.13 -1.87 -3.41 132.00 132.73 2jm3 h PRO 76 Ca -0.49 -0.10 0.13 0.00 -0.87 0.00 0.00 66.00 64.67 2jm3 h PRO 76 Cb 1.20 -0.02 -0.20 0.00 0.13 0.00 0.00 31.00 32.11 2jm3 h PRO 76 CO 0.65 0.54 -0.16 0.34 -0.23 0.00 0.00 178.00 179.14 2jm3 s ASP 77 N -6.86 -1.03 0.39 1.44 -1.08 -1.26 -4.68 116.67 103.60 2jm3 s ASP 77 Ca -0.05 0.32 0.27 0.00 -0.52 0.00 0.00 52.55 52.56 2jm3 s ASP 77 Cb 0.14 1.73 1.43 0.00 -1.46 0.00 0.00 42.92 44.76 2jm3 s ASP 77 CO 0.76 -0.19 1.82 1.55 0.52 0.00 0.00 175.17 179.63 2jm3 h PRO 78 N 7.81 0.00 0.00 4.34 0.13 -1.82 0.41 132.00 142.87 2jm3 h PRO 78 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2jm3 h PRO 78 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2jm3 h PRO 78 CO 0.06 0.00 -0.65 0.25 -0.23 0.00 0.00 178.00 177.43 2jm3 n THR 79 N -2.45 0.12 0.05 1.56 -2.24 -1.26 -4.64 114.28 105.43 2jm3 n THR 79 Ca -0.01 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2jm3 n THR 79 Cb 0.06 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 2jm3 n THR 79 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2jm3 n VAL 80 N -1.75 1.20 -3.07 2.28 0.31 0.28 -5.07 118.33 112.51 2jm3 n VAL 80 Ca 0.04 0.40 -0.29 0.00 -0.01 0.00 0.00 64.34 64.48 2jm3 n VAL 80 Cb 0.38 -1.56 -0.03 0.00 -0.91 0.00 0.00 33.84 31.72 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 -5.97 6.49 -0.18 4.52 -1.08 0.12 -5.01 116.67 115.56 2jm3 s ASP 81 Ca 0.00 0.94 -0.29 0.00 -0.52 0.00 0.00 52.55 52.68 2jm3 s ASP 81 Cb 0.00 -2.24 -0.03 0.00 -1.46 0.00 0.00 42.92 39.19 2jm3 s ASP 81 CO 0.00 -0.31 1.52 -1.59 0.52 0.00 0.00 175.17 175.31 2jm3 s LYS 82 N -3.72 3.99 -0.36 4.34 0.00 -1.26 -4.35 119.74 118.38 2jm3 s LYS 82 Ca 0.48 1.73 -0.36 0.00 0.00 0.00 0.00 55.97 57.82 2jm3 s LYS 82 Cb -0.10 -3.95 -0.12 0.00 0.00 0.00 0.00 37.83 33.65 2jm3 s LYS 82 CO 0.31 -1.05 2.17 0.94 0.00 0.00 0.00 175.35 177.71 2jm3 n GLN 83 N 7.28 0.97 -3.18 1.78 -0.06 -1.26 -4.92 117.38 117.99 2jm3 n GLN 83 Ca 0.17 0.27 -0.39 0.00 -2.00 0.00 0.00 57.00 55.05 2jm3 n GLN 83 Cb 0.45 -2.34 -0.05 0.00 -4.06 0.00 0.00 30.24 24.23 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 7.00 5.11 -0.00 1.69 1.01 -1.26 -5.00 121.20 129.74 2jm3 s ILE 84 Ca 1.10 1.19 0.00 0.00 0.00 0.00 0.00 60.65 62.95 2jm3 s ILE 84 Cb -0.94 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 37.61 2jm3 s ILE 84 CO 0.52 0.27 -0.01 -1.59 0.00 0.00 0.00 174.94 174.13 2jm3 s LYS 85 N 0.85 0.09 -0.00 2.79 -2.85 -1.26 -0.04 119.74 119.33 2jm3 s LYS 85 Ca 0.31 -0.01 -0.01 0.00 -1.00 0.00 0.00 55.97 55.26 2jm3 s LYS 85 Cb -0.16 -0.12 -0.04 0.00 -2.06 0.00 0.00 37.83 35.45 2jm3 s LYS 85 CO 0.14 -0.00 0.09 0.42 0.10 0.00 0.00 175.35 176.10 2jm3 s ILE 86 N 0.12 4.79 -0.68 3.79 1.09 -0.02 -4.96 121.20 125.34 2jm3 s ILE 86 Ca -0.01 -0.40 -0.26 0.00 -1.10 0.00 0.00 60.65 58.88 2jm3 s ILE 86 Cb -0.02 -3.20 -0.01 0.00 -1.06 0.00 0.00 42.46 38.16 2jm3 s ILE 86 CO -0.00 0.34 1.75 -0.70 -0.10 0.00 0.00 174.94 176.23 2jm3 s GLU 87 N -1.78 2.75 -0.13 2.79 2.56 -1.26 -3.53 118.70 120.11 2jm3 s GLU 87 Ca 0.24 0.29 -0.08 0.00 0.00 0.00 0.00 54.97 55.42 2jm3 s GLU 87 Cb -0.12 -4.46 -0.04 0.00 2.00 0.00 0.00 34.13 31.51 2jm3 s GLU 87 CO 0.15 -2.68 0.16 -1.17 -0.56 0.00 0.00 175.26 171.16 2jm3 s LEU 88 N 8.45 4.36 0.22 2.70 2.96 -1.26 -5.02 118.68 131.08 2jm3 s LEU 88 Ca 0.61 0.47 -0.31 0.00 -0.22 0.00 0.00 54.13 54.68 2jm3 s LEU 88 Cb -0.11 -2.12 -0.10 0.00 0.50 0.00 0.00 46.19 44.36 2jm3 s LEU 88 CO 0.16 0.35 1.52 -2.84 -1.32 0.00 0.00 176.35 174.22 2jm3 s PRO 89 N -0.75 4.23 0.49 0.98 0.02 -1.26 -4.88 135.00 133.82 2jm3 s PRO 89 Ca 0.14 2.36 0.25 0.00 0.02 0.00 0.00 61.00 63.78 2jm3 s PRO 89 Cb -0.12 -3.12 1.31 0.00 0.02 0.00 0.00 34.50 32.59 2jm3 s PRO 89 CO 0.04 -0.53 1.88 -1.35 -0.33 0.00 0.00 177.00 176.71 2jm3 h PRO 90 N 5.78 0.16 0.00 5.54 0.11 -2.01 -3.51 132.00 138.07 2jm3 h PRO 90 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2jm3 h PRO 90 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2jm3 h PRO 90 CO 0.84 0.11 0.00 1.63 -0.21 0.00 0.00 178.00 180.36