#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jm3 s SER 2 N 0.00 6.10 -0.24 1.61 0.01 -1.26 -5.05 113.70 114.87 2jm3 s SER 2 Ca 0.00 1.42 -0.07 0.00 1.31 0.00 0.00 55.95 58.61 2jm3 s SER 2 Cb 0.00 -2.44 -0.03 0.00 0.21 0.00 0.00 66.02 63.77 2jm3 s SER 2 CO 0.00 -0.96 0.06 -0.32 0.41 0.00 0.00 173.24 172.43 2jm3 s MET 3 N -5.18 3.66 0.33 12.44 -2.45 -1.26 -4.96 119.30 121.87 2jm3 s MET 3 Ca 0.55 -0.48 0.26 0.00 -1.25 0.00 0.00 55.69 54.78 2jm3 s MET 3 Cb -0.11 -3.29 1.06 0.00 1.25 0.00 0.00 34.83 33.73 2jm3 s MET 3 CO 0.54 -0.15 1.78 -1.00 1.05 0.00 0.00 175.02 177.24 2jm3 h PRO 4 N 8.10 0.00 -3.71 4.11 0.13 -1.95 -3.37 132.00 135.32 2jm3 h PRO 4 Ca -0.38 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.10 2jm3 h PRO 4 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2jm3 h PRO 4 CO 0.59 0.00 3.16 0.25 -0.23 0.00 0.00 178.00 181.77 2jm3 n THR 5 N -2.45 3.33 -4.83 1.56 -2.24 -1.26 -4.46 114.28 103.93 2jm3 n THR 5 Ca 0.02 -2.46 -0.29 0.00 -2.27 0.00 0.00 64.05 59.05 2jm3 n THR 5 Cb 0.26 -2.51 -0.17 0.00 -2.10 0.00 0.00 70.33 65.82 2jm3 n THR 5 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2jm3 s THR 6 N 3.20 1.67 0.34 4.28 2.01 -1.26 -5.00 115.64 120.88 2jm3 s THR 6 Ca 0.55 -0.78 -0.29 0.00 0.31 0.00 0.00 61.69 61.48 2jm3 s THR 6 Cb 0.15 -1.48 -0.11 0.00 0.01 0.00 0.00 72.50 71.06 2jm3 s THR 6 CO -0.04 0.47 1.51 0.00 -0.69 0.00 0.00 174.62 175.88 2jm3 n GLY 8 N 1.22 3.21 3.72 0.00 0.00 -1.08 -4.86 105.19 107.40 2jm3 n GLY 8 Ca 0.05 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.11 3.72 0.15 1.61 2.19 -1.26 -4.92 117.98 117.37 2jm3 s PHE 9 Ca 0.43 1.74 0.31 0.00 0.33 0.00 0.00 56.93 59.73 2jm3 s PHE 9 Cb 0.30 -3.10 1.67 0.00 -1.31 0.00 0.00 43.02 40.58 2jm3 s PHE 9 CO 0.17 0.05 1.94 -1.35 1.83 0.00 0.00 175.22 177.86 2jm3 h PRO 10 N 6.19 0.00 -0.80 10.12 0.11 -1.92 -3.25 132.00 142.45 2jm3 h PRO 10 Ca -0.42 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.44 2jm3 h PRO 10 Cb 1.22 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.14 2jm3 h PRO 10 CO 0.74 0.00 -0.58 -1.71 -0.21 0.00 0.00 178.00 176.23 2jm3 n ASN 11 N -2.58 -2.70 -4.55 -2.05 5.15 -1.26 -5.09 115.26 102.17 2jm3 n ASN 11 Ca -0.02 -3.01 -0.41 0.00 -0.60 0.00 0.00 54.58 50.54 2jm3 n ASN 11 Cb 0.05 1.40 -0.03 0.00 -0.53 0.00 0.00 39.78 40.68 2jm3 n ASN 11 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jm3 h LYS 13 N 10.07 0.00 0.09 0.00 2.10 -1.96 -2.85 116.57 124.03 2jm3 h LYS 13 Ca -0.25 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.13 2jm3 h LYS 13 Cb 1.05 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.37 2jm3 h LYS 13 CO 1.29 0.00 -1.30 0.74 -2.00 0.00 0.00 179.45 178.18 2jm3 h PHE 14 N 0.00 0.35 0.01 0.07 0.04 -1.93 -2.44 116.94 113.04 2jm3 h PHE 14 Ca 0.00 -0.26 -0.00 0.00 2.80 0.00 0.00 57.97 60.51 2jm3 h PHE 14 Cb 0.50 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.64 2jm3 h PHE 14 CO 0.00 1.24 -0.00 0.00 -0.60 0.00 0.00 178.31 178.94 2jm3 h ARG 15 N 0.05 -0.01 0.00 1.51 3.08 -1.93 -3.34 114.38 113.75 2jm3 h ARG 15 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.90 2jm3 h ARG 15 Cb 1.95 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.00 2jm3 h ARG 15 CO 0.17 0.72 0.00 0.77 -1.07 0.00 0.00 179.97 180.56 2jm3 h SER 16 N -0.98 0.00 0.00 7.04 0.02 -1.63 0.26 113.55 118.27 2jm3 h SER 16 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jm3 h SER 16 Cb 0.73 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.27 2jm3 h SER 16 CO 0.00 0.00 -0.00 -0.09 -1.14 0.00 0.00 176.83 175.60 2jm3 h ARG 17 N 0.00 0.00 0.00 3.45 2.43 -1.55 -3.34 114.38 115.37 2jm3 h ARG 17 Ca 0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 2jm3 h ARG 17 Cb 0.13 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2jm3 h ARG 17 CO 0.00 0.00 -0.77 0.66 -1.51 0.00 0.00 179.97 178.35 2jm3 n TYR 18 N -4.36 0.00 -2.98 2.20 4.01 -0.34 -5.07 117.16 110.63 2jm3 n TYR 18 Ca -0.03 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.61 2jm3 n TYR 18 Cb 0.09 -0.18 0.04 0.00 -0.31 0.00 0.00 39.34 38.98 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 -3.55 -1.74 0.00 -0.72 5.12 -0.07 -4.67 116.66 111.04 2jm3 n ARG 19 Ca -0.08 0.92 0.00 0.00 -1.93 0.00 0.00 57.85 56.76 2jm3 n ARG 19 Cb 0.34 -5.26 0.00 0.00 -1.16 0.00 0.00 32.46 26.39 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 -1.37 -0.92 1.65 -0.13 0.00 -1.26 -4.99 105.19 98.16 2jm3 n GLY 20 Ca -0.04 0.00 0.00 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 0.00 -3.74 0.99 4.77 -1.26 -5.04 117.00 112.72 2jm3 n LEU 21 Ca 0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.70 2jm3 n LEU 21 Cb 0.00 0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 2jm3 n LEU 21 CO 0.00 -0.41 -0.05 -0.62 -1.33 0.00 0.00 177.39 174.97 2jm3 n GLU 22 N -2.32 -2.73 -0.65 3.23 -0.58 -1.26 -0.45 120.64 115.87 2jm3 n GLU 22 Ca 0.00 0.32 0.00 0.00 -0.42 0.00 0.00 57.16 57.06 2jm3 n GLU 22 Cb 0.00 -4.99 0.00 0.00 -0.57 0.00 0.00 31.44 25.88 2jm3 n GLU 22 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2jm3 n ASP 23 N -2.33 0.00 -2.96 1.62 8.00 -1.26 -1.30 116.55 118.32 2jm3 n ASP 23 Ca 0.04 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.33 2jm3 n ASP 23 Cb 0.50 -1.46 0.01 0.00 -0.02 0.00 0.00 41.12 40.15 2jm3 n ASP 23 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2jm3 n ASN 24 N 0.00 -5.20 -4.74 -2.24 5.15 0.40 -4.91 115.26 103.73 2jm3 n ASN 24 Ca 0.00 -0.22 -0.38 0.00 -0.60 0.00 0.00 54.58 53.38 2jm3 n ASN 24 Cb 0.00 -4.26 0.05 0.00 -0.53 0.00 0.00 39.78 35.04 2jm3 n ASN 24 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2jm3 s ARG 25 N -5.62 2.89 -0.47 1.20 0.52 -0.42 -4.90 118.95 112.14 2jm3 s ARG 25 Ca 0.25 2.17 -0.28 0.00 -0.52 0.00 0.00 55.73 57.36 2jm3 s ARG 25 Cb -0.12 -2.08 0.00 0.00 0.52 0.00 0.00 34.95 33.27 2jm3 s ARG 25 CO 0.31 -1.37 1.56 -1.01 0.02 0.00 0.00 175.30 174.81 2jm3 s HIS 26 N -1.34 2.13 -0.40 -0.53 3.76 -1.26 -4.93 115.29 112.73 2jm3 s HIS 26 Ca 0.76 0.61 -0.29 0.00 -0.15 0.00 0.00 55.06 56.00 2jm3 s HIS 26 Cb -0.39 -4.27 0.02 0.00 1.11 0.00 0.00 32.58 29.04 2jm3 s HIS 26 CO 0.45 -2.24 1.22 -0.06 -0.85 0.00 0.00 174.74 173.26 2jm3 s PHE 27 N 6.45 2.76 0.43 1.40 0.08 -1.26 -3.36 117.98 124.48 2jm3 s PHE 27 Ca 0.63 0.83 -0.21 0.00 0.12 0.00 0.00 56.93 58.30 2jm3 s PHE 27 Cb -0.14 -4.16 -0.10 0.00 -0.57 0.00 0.00 43.02 38.04 2jm3 s PHE 27 CO 0.29 -1.42 0.97 0.71 -0.10 0.00 0.00 175.22 175.67 2jm3 s TYR 28 N 4.50 3.28 0.71 0.36 2.02 0.04 -4.87 117.35 123.40 2jm3 s TYR 28 Ca 0.52 1.62 -0.09 0.00 -0.37 0.00 0.00 57.07 58.75 2jm3 s TYR 28 Cb -0.11 -2.91 0.16 0.00 -0.40 0.00 0.00 41.96 38.70 2jm3 s TYR 28 CO 0.27 -0.23 0.97 0.54 -1.57 0.00 0.00 175.55 175.53 2jm3 n ARG 29 N -0.57 -0.69 -3.22 -0.62 5.12 -1.26 -2.47 116.66 112.95 2jm3 n ARG 29 Ca 0.07 -1.80 -0.44 0.00 -1.93 0.00 0.00 57.85 53.75 2jm3 n ARG 29 Cb 0.53 -0.91 -0.06 0.00 -1.16 0.00 0.00 32.46 30.87 2jm3 n ARG 29 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2jm3 s ILE 30 N -3.02 4.98 -0.28 0.55 1.01 -1.26 -4.80 121.20 118.39 2jm3 s ILE 30 Ca 0.57 -0.87 -0.33 0.00 0.00 0.00 0.00 60.65 60.03 2jm3 s ILE 30 Cb -0.02 -4.31 -0.09 0.00 0.01 0.00 0.00 42.46 38.05 2jm3 s ILE 30 CO 0.40 -0.84 2.17 -2.65 0.00 0.00 0.00 174.94 174.02 2jm3 n PRO 31 N 5.89 1.49 -0.91 2.79 -0.02 -1.26 -4.84 135.00 138.14 2jm3 n PRO 31 Ca -0.09 0.42 -0.02 0.00 -2.02 0.00 0.00 63.50 61.79 2jm3 n PRO 31 Cb 0.44 -2.76 0.31 0.00 -0.02 0.00 0.00 33.50 31.47 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 8.26 3.69 -3.62 -0.52 -0.00 -1.26 -3.19 118.16 121.53 2jm3 n LYS 32 Ca 0.35 -3.08 -0.27 0.00 -0.00 0.00 0.00 58.31 55.31 2jm3 n LYS 32 Cb 0.31 -2.15 -0.16 0.00 -0.00 0.00 0.00 35.03 33.03 2jm3 n LYS 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2jm3 s ARG 33 N -2.96 0.20 0.80 -1.58 1.81 -1.26 -2.98 118.95 112.99 2jm3 s ARG 33 Ca 0.53 -0.27 -0.12 0.00 -1.72 0.00 0.00 55.73 54.15 2jm3 s ARG 33 Cb 0.42 -1.74 0.07 0.00 -0.45 0.00 0.00 34.95 33.26 2jm3 s ARG 33 CO 0.12 -0.75 1.10 -2.14 -0.68 0.00 0.00 175.30 172.95 2jm3 s PRO 34 N 2.07 2.08 0.32 3.54 0.02 -1.26 -4.96 135.00 136.81 2jm3 s PRO 34 Ca 0.03 0.61 0.01 0.00 0.02 0.00 0.00 61.00 61.67 2jm3 s PRO 34 Cb -0.16 -1.92 0.52 0.00 0.02 0.00 0.00 34.50 32.96 2jm3 s PRO 34 CO -0.15 -1.61 1.89 -0.07 -0.33 0.00 0.00 177.00 176.72 2jm3 h LEU 35 N -1.08 0.67 -1.40 -5.54 -0.00 -1.87 -1.75 115.31 104.33 2jm3 h LEU 35 Ca -0.47 -0.10 -0.05 0.00 -0.00 0.00 0.00 57.88 57.26 2jm3 h LEU 35 Cb 1.27 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 41.75 2jm3 h LEU 35 CO 0.60 0.64 -0.16 0.40 -0.00 0.00 0.00 178.44 179.91 2jm3 h ILE 36 N 0.72 1.18 -0.52 1.22 5.03 -1.95 -1.10 117.51 122.10 2jm3 h ILE 36 Ca 0.17 -0.82 -0.12 0.00 -0.12 0.00 0.00 64.86 63.96 2jm3 h ILE 36 Cb 0.21 1.28 -0.02 0.00 -3.03 0.00 0.00 36.82 35.26 2jm3 h ILE 36 CO -0.01 0.25 -0.16 0.25 -0.68 0.00 0.00 178.15 177.80 2jm3 h LEU 37 N 0.18 1.04 -1.15 1.44 5.85 -1.65 -0.89 115.31 120.13 2jm3 h LEU 37 Ca 0.03 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.36 2jm3 h LEU 37 Cb 0.40 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 2jm3 h LEU 37 CO 0.03 1.18 0.33 -0.09 -0.34 0.00 0.00 178.44 179.55 2jm3 h ARG 38 N 0.90 0.93 -0.25 1.25 2.43 -0.99 -0.40 114.38 118.24 2jm3 h ARG 38 Ca 0.13 -0.11 -0.11 0.00 -0.81 0.00 0.00 59.98 59.08 2jm3 h ARG 38 Cb 0.74 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 2jm3 h ARG 38 CO 0.06 0.70 -0.30 0.37 -1.51 0.00 0.00 179.97 179.29 2jm3 h GLN 39 N 0.93 0.50 0.00 0.20 -0.00 -0.80 -2.52 115.11 113.42 2jm3 h GLN 39 Ca 0.23 -0.21 0.00 0.00 -0.00 0.00 0.00 58.65 58.67 2jm3 h GLN 39 Cb 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 27.53 2jm3 h GLN 39 CO -0.03 0.75 0.00 0.00 0.00 0.00 0.00 178.83 179.55 2jm3 h ARG 40 N 0.43 0.00 0.00 1.69 2.47 -0.37 -3.11 114.38 115.49 2jm3 h ARG 40 Ca 0.06 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.76 2jm3 h ARG 40 Cb 0.74 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.06 2jm3 h ARG 40 CO 0.06 0.00 -0.08 -1.49 0.56 0.00 0.00 179.97 179.02 2jm3 h TRP 41 N 0.00 0.00 0.00 3.04 4.06 -0.64 -2.65 115.95 119.76 2jm3 h TRP 41 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2jm3 h TRP 41 Cb 0.77 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.93 2jm3 h TRP 41 CO 0.00 0.08 -0.12 -0.07 -3.56 0.00 0.00 178.44 174.77 2jm3 h LEU 42 N 0.00 0.00 -0.46 -4.49 3.38 -1.61 -3.38 115.31 108.75 2jm3 h LEU 42 Ca -0.00 -0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.04 2jm3 h LEU 42 Cb 0.53 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.18 2jm3 h LEU 42 CO 0.01 0.01 -0.28 0.74 0.09 0.00 0.00 178.44 179.01 2jm3 h THR 43 N 0.00 0.28 0.00 0.22 2.02 -1.64 0.36 112.91 114.14 2jm3 h THR 43 Ca 0.00 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 67.00 2jm3 h THR 43 Cb 0.87 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 2jm3 h THR 43 CO 0.00 0.00 -0.84 0.00 0.37 0.00 0.00 175.52 175.05 2jm3 h ALA 44 N 1.00 0.56 0.00 6.16 0.00 -1.80 -2.78 119.26 122.40 2jm3 h ALA 44 Ca 0.21 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2jm3 h ALA 44 Cb 0.51 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2jm3 h ALA 44 CO -0.56 1.05 0.00 -0.84 0.00 0.00 0.00 179.25 178.89 2jm3 h ILE 45 N 0.00 0.00 -5.72 0.00 3.07 -1.69 -3.46 117.51 109.71 2jm3 h ILE 45 Ca -0.01 -0.60 -0.35 0.00 1.55 0.00 0.00 64.86 65.45 2jm3 h ILE 45 Cb 1.53 1.59 0.16 0.00 -0.27 0.00 0.00 36.82 39.83 2jm3 h ILE 45 CO 0.11 0.00 -0.75 0.61 -1.05 0.00 0.00 178.15 177.07 2jm3 n GLY 46 N 1.24 -0.41 3.46 0.16 0.00 0.08 -4.73 105.19 104.99 2jm3 n GLY 46 Ca 0.05 0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 2jm3 n GLY 46 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jm3 s ARG 47 N -5.65 1.78 0.41 1.61 3.52 -1.20 -5.08 118.95 114.34 2jm3 s ARG 47 Ca 0.17 -2.05 -0.05 0.00 -0.13 0.00 0.00 55.73 53.67 2jm3 s ARG 47 Cb -0.07 -0.60 -0.05 0.00 -1.56 0.00 0.00 34.95 32.67 2jm3 s ARG 47 CO 0.73 -0.38 0.70 0.99 -0.81 0.00 0.00 175.30 176.53 2jm3 s THR 48 N -3.32 4.93 -0.98 4.11 2.01 -1.26 -4.82 115.64 116.31 2jm3 s THR 48 Ca 0.29 0.16 0.27 0.00 0.31 0.00 0.00 61.69 62.73 2jm3 s THR 48 Cb 0.05 -3.81 0.14 0.00 0.01 0.00 0.00 72.50 68.89 2jm3 s THR 48 CO 0.15 -0.63 1.71 -1.84 -0.69 0.00 0.00 174.62 173.32 2jm3 n GLU 49 N -1.71 0.01 0.00 4.92 0.28 -1.26 -0.09 120.64 122.79 2jm3 n GLU 49 Ca -0.00 0.01 0.15 0.00 -0.16 0.00 0.00 57.16 57.16 2jm3 n GLU 49 Cb 0.55 -1.51 0.85 0.00 1.43 0.00 0.00 31.44 32.76 2jm3 n GLU 49 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2jm3 n GLU 50 N -1.54 0.85 0.00 3.44 -0.58 -1.26 -3.86 120.64 117.69 2jm3 n GLU 50 Ca 0.06 -0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2jm3 n GLU 50 Cb 0.34 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 2jm3 n GLU 50 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2jm3 n THR 51 N -1.02 0.00 -2.81 2.62 -1.04 -0.69 -4.85 114.28 106.48 2jm3 n THR 51 Ca 0.20 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.78 2jm3 n THR 51 Cb 0.17 -0.50 -0.00 0.00 -1.82 0.00 0.00 70.33 68.18 2jm3 n THR 51 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2jm3 s VAL 52 N -1.98 4.67 0.00 12.58 1.01 0.87 -4.71 120.40 132.84 2jm3 s VAL 52 Ca 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 61.98 59.74 2jm3 s VAL 52 Cb 0.00 -5.00 0.00 0.00 0.00 0.00 0.00 36.38 31.38 2jm3 s VAL 52 CO 0.00 -1.76 0.00 0.52 0.00 0.00 0.00 175.10 173.86 2jm3 n VAL 53 N 5.35 0.00 0.47 2.92 0.31 -1.26 -4.76 118.33 121.36 2jm3 n VAL 53 Ca 0.39 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.78 2jm3 n VAL 53 Cb 0.45 0.00 0.26 0.00 -0.91 0.00 0.00 33.84 33.64 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 0.00 0.00 0.02 4.52 7.64 -1.26 -1.39 113.62 123.14 2jm3 n SER 54 Ca 0.00 0.26 0.12 0.00 1.01 0.00 0.00 58.87 60.26 2jm3 n SER 54 Cb 0.00 -0.36 0.13 0.00 -1.01 0.00 0.00 64.21 62.96 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 -1.36 0.12 -3.85 1.43 0.00 -1.26 -4.84 117.38 107.62 2jm3 n GLN 55 Ca 0.04 0.01 -0.36 0.00 -0.00 0.00 0.00 57.00 56.70 2jm3 n GLN 55 Cb 0.10 -1.55 -0.13 0.00 0.00 0.00 0.00 30.24 28.66 2jm3 n GLN 55 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 2jm3 s LEU 56 N -3.43 3.28 0.08 1.69 2.96 -0.49 -4.72 118.68 118.05 2jm3 s LEU 56 Ca 0.08 -0.25 0.09 0.00 -0.22 0.00 0.00 54.13 53.82 2jm3 s LEU 56 Cb 0.16 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 2jm3 s LEU 56 CO 0.75 -0.01 -0.21 -0.13 -1.32 0.00 0.00 176.35 175.44 2jm3 s ARG 57 N 1.47 1.85 -0.08 1.98 1.81 -0.98 -4.60 118.95 120.40 2jm3 s ARG 57 Ca 0.05 -1.12 0.05 0.00 -1.72 0.00 0.00 55.73 52.99 2jm3 s ARG 57 Cb -0.15 -2.09 -0.00 0.00 -0.45 0.00 0.00 34.95 32.26 2jm3 s ARG 57 CO 0.02 0.50 -0.22 0.42 -0.68 0.00 0.00 175.30 175.34 2jm3 s ILE 58 N -1.00 1.88 0.50 1.52 -1.09 -1.03 -2.62 121.20 119.37 2jm3 s ILE 58 Ca 0.15 -0.94 -0.22 0.00 -2.23 0.00 0.00 60.65 57.41 2jm3 s ILE 58 Cb -0.10 -1.62 -0.06 0.00 -1.58 0.00 0.00 42.46 39.10 2jm3 s ILE 58 CO 0.06 0.52 1.29 0.00 -1.23 0.00 0.00 174.94 175.59 2jm3 h SER 60 N 1.76 0.00 0.52 0.00 4.64 -1.91 -2.64 113.55 115.93 2jm3 h SER 60 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2jm3 h SER 60 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2jm3 h SER 60 CO 0.59 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.55 2jm3 n ALA 61 N -1.91 1.88 1.64 5.18 0.00 -1.26 -1.90 120.51 124.14 2jm3 n ALA 61 Ca 0.01 -0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.48 2jm3 n ALA 61 Cb 0.24 -1.29 0.46 0.00 0.00 0.00 0.00 19.45 18.86 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 -1.43 0.10 -5.05 0.00 -0.00 -0.99 -4.65 115.22 103.19 2jm3 n HIS 62 Ca 0.06 -0.05 -0.28 0.00 -0.00 0.00 0.00 57.72 57.45 2jm3 n HIS 62 Cb 0.19 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.02 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 -1.90 1.97 -0.39 4.41 0.40 -0.80 -1.47 117.98 120.20 2jm3 s PHE 63 Ca 0.30 -0.44 -0.27 0.00 -0.60 0.00 0.00 56.93 55.91 2jm3 s PHE 63 Cb 0.15 -1.28 -0.04 0.00 0.51 0.00 0.00 43.02 42.36 2jm3 s PHE 63 CO 0.23 -0.08 2.02 -1.21 0.70 0.00 0.00 175.22 176.88 2jm3 s GLU 64 N -0.36 2.91 0.00 0.44 0.41 -1.26 -1.14 118.70 119.70 2jm3 s GLU 64 Ca 0.04 1.40 0.00 0.00 -0.41 0.00 0.00 54.97 56.00 2jm3 s GLU 64 Cb -0.10 -4.35 0.00 0.00 -1.78 0.00 0.00 34.13 27.90 2jm3 s GLU 64 CO 0.00 -2.36 0.00 0.41 -0.49 0.00 0.00 175.26 172.82 2jm3 n GLY 65 N 5.67 2.01 0.77 -1.39 0.00 -1.26 -4.60 105.19 106.38 2jm3 n GLY 65 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.14 0.73 2.92 -0.02 0.00 -0.29 -5.00 105.19 103.39 2jm3 n GLY 66 Ca 0.00 -0.42 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.33 0.09 -0.57 1.61 0.41 -1.26 -4.97 118.70 111.68 2jm3 s GLU 67 Ca 0.00 0.53 -0.14 0.00 -0.41 0.00 0.00 54.97 54.95 2jm3 s GLU 67 Cb 0.00 -0.18 0.14 0.00 -1.78 0.00 0.00 34.13 32.31 2jm3 s GLU 67 CO 0.00 -0.24 0.51 0.21 -0.49 0.00 0.00 175.26 175.25 2jm3 s LYS 68 N 1.82 2.98 -0.10 1.61 2.20 -1.26 -4.88 119.74 122.11 2jm3 s LYS 68 Ca -0.03 -1.86 -0.13 0.00 -0.36 0.00 0.00 55.97 53.60 2jm3 s LYS 68 Cb -0.12 -4.24 -0.04 0.00 -1.51 0.00 0.00 37.83 31.92 2jm3 s LYS 68 CO -0.07 -1.29 -0.25 1.63 -0.36 0.00 0.00 175.35 175.01 2jm3 n LYS 69 N 4.95 0.38 0.00 4.03 4.01 -1.26 -5.05 118.16 125.21 2jm3 n LYS 69 Ca -0.08 0.15 0.00 0.00 -0.51 0.00 0.00 58.31 57.87 2jm3 n LYS 69 Cb 0.41 -1.16 0.00 0.00 -0.51 0.00 0.00 35.03 33.77 2jm3 n LYS 69 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2jm3 n GLU 70 N -4.18 0.00 -1.67 1.97 4.71 -1.26 -4.94 120.64 115.27 2jm3 n GLU 70 Ca -0.10 0.00 -0.36 0.00 -0.01 0.00 0.00 57.16 56.69 2jm3 n GLU 70 Cb 0.37 0.00 0.06 0.00 -1.01 0.00 0.00 31.44 30.86 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 4.99 5.79 3.66 0.62 0.00 -1.26 -4.99 105.19 114.01 2jm3 n GLY 71 Ca 0.00 -2.43 -0.43 0.00 0.00 0.00 0.00 46.02 43.17 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 -1.76 6.96 -0.14 1.61 1.47 -1.26 0.09 116.67 123.64 2jm3 s ASP 72 Ca 0.58 1.68 -0.08 0.00 1.18 0.00 0.00 52.55 55.91 2jm3 s ASP 72 Cb 0.47 -2.54 -0.04 0.00 -0.34 0.00 0.00 42.92 40.47 2jm3 s ASP 72 CO -0.17 -0.74 0.15 -0.63 0.68 0.00 0.00 175.17 174.46 2jm3 s ILE 73 N 3.38 5.45 -0.15 2.11 1.01 0.14 -4.98 121.20 128.16 2jm3 s ILE 73 Ca 0.54 0.24 -0.29 0.00 0.00 0.00 0.00 60.65 61.14 2jm3 s ILE 73 Cb -0.21 -3.44 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 2jm3 s ILE 73 CO 0.15 0.55 1.49 -2.16 0.00 0.00 0.00 174.94 174.97 2jm3 s PRO 74 N -0.55 4.08 0.23 2.79 0.04 -1.26 -4.22 135.00 136.11 2jm3 s PRO 74 Ca 0.13 1.82 0.04 0.00 0.04 0.00 0.00 61.00 63.03 2jm3 s PRO 74 Cb -0.12 -3.92 -0.03 0.00 0.04 0.00 0.00 34.50 30.47 2jm3 s PRO 74 CO 0.02 -0.93 0.36 0.14 0.04 0.00 0.00 177.00 176.64 2jm3 s VAL 75 N 4.17 5.26 0.18 -0.36 -7.23 -0.54 -4.54 120.40 117.33 2jm3 s VAL 75 Ca 0.65 -0.86 -0.09 0.00 -1.81 0.00 0.00 61.98 59.88 2jm3 s VAL 75 Cb -0.26 -3.83 0.06 0.00 0.56 0.00 0.00 36.38 32.90 2jm3 s VAL 75 CO 0.24 -0.29 1.63 1.55 -0.31 0.00 0.00 175.10 177.92 2jm3 h PRO 76 N 1.38 1.05 -2.21 4.82 0.13 -1.88 -3.42 132.00 131.89 2jm3 h PRO 76 Ca -0.51 -0.36 -0.30 0.00 -0.87 0.00 0.00 66.00 63.97 2jm3 h PRO 76 Cb 1.22 -0.08 -0.33 0.00 0.13 0.00 0.00 31.00 31.93 2jm3 h PRO 76 CO 0.63 1.05 -0.61 0.34 -0.23 0.00 0.00 178.00 179.18 2jm3 s ASP 77 N -6.62 1.37 0.00 1.44 -1.08 -1.26 -4.81 116.67 105.70 2jm3 s ASP 77 Ca -0.11 -0.46 0.10 0.00 -0.52 0.00 0.00 52.55 51.55 2jm3 s ASP 77 Cb 0.13 0.57 0.44 0.00 -1.46 0.00 0.00 42.92 42.60 2jm3 s ASP 77 CO 0.86 -0.36 1.28 -0.81 0.52 0.00 0.00 175.17 176.66 2jm3 n PRO 78 N 5.32 0.04 0.00 4.34 -0.04 -1.26 0.19 135.00 143.58 2jm3 n PRO 78 Ca -0.03 0.30 0.08 0.00 -0.04 0.00 0.00 63.50 63.80 2jm3 n PRO 78 Cb 0.48 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.46 2jm3 n PRO 78 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2jm3 n THR 79 N -1.44 0.00 0.05 0.52 -2.24 -1.26 -4.76 114.28 105.15 2jm3 n THR 79 Ca 0.03 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2jm3 n THR 79 Cb 0.10 1.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 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 0.29 0.19 -1.98 2.28 0.31 -0.66 -5.11 118.33 113.65 2jm3 n VAL 80 Ca 0.08 0.06 -0.28 0.00 -0.01 0.00 0.00 64.34 64.18 2jm3 n VAL 80 Cb 0.36 -0.88 0.07 0.00 -0.91 0.00 0.00 33.84 32.48 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 -5.15 4.79 -0.65 4.52 2.15 0.13 -4.97 116.67 117.48 2jm3 s ASP 81 Ca 0.00 0.78 -0.26 0.00 0.43 0.00 0.00 52.55 53.51 2jm3 s ASP 81 Cb 0.00 -1.39 0.04 0.00 -0.30 0.00 0.00 42.92 41.27 2jm3 s ASP 81 CO 0.00 -1.70 1.13 -0.75 -0.17 0.00 0.00 175.17 173.68 2jm3 s LYS 82 N -5.45 3.27 -0.26 4.34 2.20 -1.26 -4.68 119.74 117.91 2jm3 s LYS 82 Ca 0.61 -0.25 -0.39 0.00 -0.36 0.00 0.00 55.97 55.57 2jm3 s LYS 82 Cb -0.11 -4.13 -0.15 0.00 -1.51 0.00 0.00 37.83 31.93 2jm3 s LYS 82 CO 0.49 -1.85 1.78 0.94 -0.36 0.00 0.00 175.35 176.34 2jm3 n GLN 83 N 8.47 1.31 -3.51 4.03 0.00 -1.26 -4.93 117.38 121.49 2jm3 n GLN 83 Ca 0.03 0.48 -0.37 0.00 -0.00 0.00 0.00 57.00 57.13 2jm3 n GLN 83 Cb 0.48 -2.19 -0.08 0.00 0.00 0.00 0.00 30.24 28.45 2jm3 n GLN 83 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2jm3 s ILE 84 N 3.70 5.28 -0.01 1.69 1.01 -1.26 -5.04 121.20 126.56 2jm3 s ILE 84 Ca 0.98 0.51 0.00 0.00 0.00 0.00 0.00 60.65 62.14 2jm3 s ILE 84 Cb -1.01 -3.63 0.01 0.00 0.01 0.00 0.00 42.46 37.83 2jm3 s ILE 84 CO 0.64 0.32 -0.01 -1.59 0.00 0.00 0.00 174.94 174.30 2jm3 s LYS 85 N 0.99 0.15 0.02 2.79 0.00 -1.26 -0.69 119.74 121.74 2jm3 s LYS 85 Ca 0.15 -0.02 -0.20 0.00 0.00 0.00 0.00 55.97 55.90 2jm3 s LYS 85 Cb -0.14 -0.20 -0.06 0.00 0.00 0.00 0.00 37.83 37.44 2jm3 s LYS 85 CO 0.06 -0.01 0.59 0.42 0.00 0.00 0.00 175.35 176.41 2jm3 s ILE 86 N 0.21 4.86 -0.30 3.79 1.01 0.11 -4.99 121.20 125.90 2jm3 s ILE 86 Ca -0.02 1.24 -0.29 0.00 0.00 0.00 0.00 60.65 61.58 2jm3 s ILE 86 Cb -0.04 -3.92 -0.00 0.00 0.01 0.00 0.00 42.46 38.51 2jm3 s ILE 86 CO -0.01 0.45 1.35 -1.83 0.00 0.00 0.00 174.94 174.91 2jm3 s GLU 87 N -0.44 3.86 -0.20 2.79 1.03 -1.26 -4.01 118.70 120.47 2jm3 s GLU 87 Ca 0.30 1.27 -0.21 0.00 0.03 0.00 0.00 54.97 56.36 2jm3 s GLU 87 Cb -0.19 -3.91 -0.03 0.00 -0.80 0.00 0.00 34.13 29.21 2jm3 s GLU 87 CO 0.18 -1.19 0.62 -1.17 -1.33 0.00 0.00 175.26 172.37 2jm3 s LEU 88 N 4.58 4.14 0.07 1.83 2.96 -1.26 -5.03 118.68 125.97 2jm3 s LEU 88 Ca 0.59 0.82 -0.31 0.00 -0.22 0.00 0.00 54.13 55.01 2jm3 s LEU 88 Cb -0.17 -2.88 -0.08 0.00 0.50 0.00 0.00 46.19 43.55 2jm3 s LEU 88 CO 0.25 -0.27 1.64 -2.84 -1.32 0.00 0.00 176.35 173.80 2jm3 s PRO 89 N 1.92 4.20 -0.42 0.98 0.02 -1.26 -4.87 135.00 135.57 2jm3 s PRO 89 Ca 0.28 2.32 -0.44 0.00 0.02 0.00 0.00 61.00 63.19 2jm3 s PRO 89 Cb -0.16 -3.58 -0.18 0.00 0.02 0.00 0.00 34.50 30.60 2jm3 s PRO 89 CO 0.10 -0.72 1.79 -0.35 -0.33 0.00 0.00 177.00 177.49 2jm3 n PRO 90 N 5.52 0.42 0.00 5.54 -0.04 -1.26 -5.25 135.00 139.93 2jm3 n PRO 90 Ca 0.16 0.15 0.13 0.00 -0.04 0.00 0.00 63.50 63.89 2jm3 n PRO 90 Cb 0.41 -1.75 0.22 0.00 -0.04 0.00 0.00 33.50 32.34 2jm3 n PRO 90 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63