#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 0.76 -5.01 1.61 0.02 -2.08 -3.46 113.55 105.38 2jm3 h SER 2 Ca 0.00 -0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 60.69 2jm3 h SER 2 Cb 0.00 -0.20 -0.15 0.00 0.14 0.00 0.00 62.40 62.19 2jm3 h SER 2 CO 0.00 0.87 0.11 -0.32 -1.14 0.00 0.00 176.83 176.35 2jm3 s MET 3 N -4.85 1.12 0.07 3.45 -2.45 -1.26 -5.13 119.30 110.25 2jm3 s MET 3 Ca -0.09 -0.25 -0.36 0.00 -1.25 0.00 0.00 55.69 53.74 2jm3 s MET 3 Cb 0.14 0.51 -0.16 0.00 1.25 0.00 0.00 34.83 36.58 2jm3 s MET 3 CO 0.82 -0.43 1.46 -2.30 1.05 0.00 0.00 175.02 175.62 2jm3 n PRO 4 N 0.21 1.49 -2.25 4.11 -0.02 -1.26 -4.88 135.00 132.40 2jm3 n PRO 4 Ca -0.18 0.54 -0.43 0.00 -2.02 0.00 0.00 63.50 61.41 2jm3 n PRO 4 Cb 0.61 -2.23 -0.02 0.00 -0.02 0.00 0.00 33.50 31.84 2jm3 n PRO 4 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2jm3 s THR 5 N 0.98 3.87 -0.85 3.45 -4.23 -1.26 -4.94 115.64 112.66 2jm3 s THR 5 Ca 0.84 0.96 -0.24 0.00 -1.18 0.00 0.00 61.69 62.07 2jm3 s THR 5 Cb -0.87 -3.95 0.05 0.00 1.34 0.00 0.00 72.50 69.08 2jm3 s THR 5 CO 0.46 -0.45 1.29 0.42 -0.54 0.00 0.00 174.62 175.80 2jm3 s THR 6 N 5.08 3.96 0.29 3.99 -4.23 -1.26 -5.00 115.64 118.48 2jm3 s THR 6 Ca 0.65 -0.30 -0.29 0.00 -1.18 0.00 0.00 61.69 60.56 2jm3 s THR 6 Cb -0.20 -4.93 -0.10 0.00 1.34 0.00 0.00 72.50 68.61 2jm3 s THR 6 CO 0.28 -1.81 1.27 0.00 -0.54 0.00 0.00 174.62 173.82 2jm3 n GLY 8 N 1.25 0.83 3.71 0.00 0.00 0.43 -4.80 105.19 106.61 2jm3 n GLY 8 Ca 0.01 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.68 3.60 -1.37 1.61 0.08 -1.26 -4.91 117.98 114.05 2jm3 s PHE 9 Ca 0.34 1.57 0.12 0.00 0.12 0.00 0.00 56.93 59.09 2jm3 s PHE 9 Cb 0.19 -3.22 0.60 0.00 -0.57 0.00 0.00 43.02 40.02 2jm3 s PHE 9 CO 0.28 -0.44 1.31 -0.35 -0.10 0.00 0.00 175.22 175.92 2jm3 n PRO 10 N 3.71 0.15 -2.80 0.24 -0.04 -1.26 -3.44 135.00 131.56 2jm3 n PRO 10 Ca 0.06 0.19 -0.10 0.00 -0.04 0.00 0.00 63.50 63.61 2jm3 n PRO 10 Cb 0.49 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.52 2jm3 n PRO 10 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2jm3 n ASN 11 N -1.32 -1.20 -4.55 3.54 5.15 -1.26 -5.06 115.26 110.56 2jm3 n ASN 11 Ca 0.05 -3.11 -0.39 0.00 -0.60 0.00 0.00 54.58 50.53 2jm3 n ASN 11 Cb 0.10 0.92 -0.03 0.00 -0.53 0.00 0.00 39.78 40.25 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 9.15 1.30 -0.02 0.00 -0.00 -1.26 -3.04 118.16 124.29 2jm3 n LYS 13 Ca 0.18 -0.45 -0.19 0.00 -0.00 0.00 0.00 58.31 57.86 2jm3 n LYS 13 Cb 0.50 -1.35 -0.13 0.00 -0.00 0.00 0.00 35.03 34.04 2jm3 n LYS 13 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.40 178.14 2jm3 h PHE 14 N 0.92 0.27 -0.41 5.58 0.04 -1.99 -1.44 116.94 119.91 2jm3 h PHE 14 Ca 0.00 -0.19 -0.08 0.00 2.80 0.00 0.00 57.97 60.50 2jm3 h PHE 14 Cb 0.20 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 2jm3 h PHE 14 CO 0.04 1.32 -0.06 0.00 -0.60 0.00 0.00 178.31 179.01 2jm3 h ARG 15 N -0.64 0.75 0.00 1.51 3.08 -1.84 -2.80 114.38 114.44 2jm3 h ARG 15 Ca -0.18 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.58 2jm3 h ARG 15 Cb 1.43 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.43 2jm3 h ARG 15 CO 0.02 0.87 -0.08 0.77 -1.07 0.00 0.00 179.97 180.47 2jm3 h SER 16 N 0.57 0.00 -0.16 7.04 0.02 -1.65 -1.51 113.55 117.86 2jm3 h SER 16 Ca 0.11 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 2jm3 h SER 16 Cb 0.56 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 2jm3 h SER 16 CO 0.03 0.08 -0.03 -0.09 -1.14 0.00 0.00 176.83 175.68 2jm3 h ARG 17 N 0.00 0.44 -0.64 3.45 2.43 -0.98 -1.11 114.38 117.97 2jm3 h ARG 17 Ca -0.00 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2jm3 h ARG 17 Cb 0.35 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2jm3 h ARG 17 CO 0.01 0.49 0.00 0.66 -1.51 0.00 0.00 179.97 179.62 2jm3 n TYR 18 N -4.29 1.38 -2.92 2.20 4.01 -0.79 -4.91 117.16 111.84 2jm3 n TYR 18 Ca 0.01 -0.52 -0.16 0.00 -0.16 0.00 0.00 57.90 57.07 2jm3 n TYR 18 Cb 0.24 -0.29 0.03 0.00 -0.31 0.00 0.00 39.34 39.02 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 0.73 -4.06 0.00 -0.72 3.00 -0.42 -4.32 116.66 110.88 2jm3 n ARG 19 Ca 0.21 0.63 0.00 0.00 -0.01 0.00 0.00 57.85 58.68 2jm3 n ARG 19 Cb 0.84 -4.94 0.00 0.00 0.00 0.00 0.00 32.46 28.36 2jm3 n ARG 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2jm3 n GLY 20 N -1.37 1.16 0.00 -0.13 0.00 -0.64 -4.99 105.19 99.23 2jm3 n GLY 20 Ca -0.06 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.44 0.99 -0.00 -1.23 -4.28 117.00 110.04 2jm3 n LEU 21 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.81 2jm3 n LEU 21 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.41 2jm3 n LEU 21 CO 0.00 0.00 -0.24 1.21 -0.00 0.00 0.00 177.39 178.36 2jm3 n GLU 22 N 0.00 -1.92 0.26 1.47 2.13 -1.26 -4.72 120.64 116.60 2jm3 n GLU 22 Ca 0.00 0.95 0.13 0.00 0.66 0.00 0.00 57.16 58.90 2jm3 n GLU 22 Cb 0.00 -5.61 0.72 0.00 0.27 0.00 0.00 31.44 26.82 2jm3 n GLU 22 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 2jm3 h ASP 23 N -0.07 0.00 -5.09 4.31 5.19 -1.94 -3.46 116.42 115.37 2jm3 h ASP 23 Ca -0.47 0.00 -0.39 0.00 -0.62 0.00 0.00 57.03 55.55 2jm3 h ASP 23 Cb 1.35 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.84 2jm3 h ASP 23 CO 0.55 0.12 -0.59 0.59 -3.12 0.00 0.00 179.24 176.79 2jm3 n ASN 24 N -3.53 -4.83 -4.87 6.45 3.02 -1.26 -4.96 115.26 105.28 2jm3 n ASN 24 Ca -0.01 -0.36 -0.21 0.00 -0.03 0.00 0.00 54.58 53.96 2jm3 n ASN 24 Cb 0.26 -3.94 -0.03 0.00 -0.61 0.00 0.00 39.78 35.46 2jm3 n ASN 24 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2jm3 s ARG 25 N -5.91 2.74 0.08 3.52 0.52 -1.26 -5.09 118.95 113.55 2jm3 s ARG 25 Ca 0.37 -1.29 -0.30 0.00 -0.52 0.00 0.00 55.73 53.99 2jm3 s ARG 25 Cb -0.18 -2.50 -0.05 0.00 0.52 0.00 0.00 34.95 32.73 2jm3 s ARG 25 CO 0.46 0.06 1.04 -1.58 0.02 0.00 0.00 175.30 175.30 2jm3 s HIS 26 N -2.31 3.65 -0.21 -0.53 5.65 -1.26 -4.99 115.29 115.29 2jm3 s HIS 26 Ca 0.42 1.63 0.01 0.00 0.25 0.00 0.00 55.06 57.37 2jm3 s HIS 26 Cb -0.06 -3.19 0.04 0.00 -1.18 0.00 0.00 32.58 28.20 2jm3 s HIS 26 CO 0.27 -0.31 -0.11 -0.06 -0.65 0.00 0.00 174.74 173.89 2jm3 s PHE 27 N 0.49 2.56 0.44 3.88 0.40 -1.26 -1.34 117.98 123.16 2jm3 s PHE 27 Ca 0.51 -1.71 -0.21 0.00 -0.60 0.00 0.00 56.93 54.92 2jm3 s PHE 27 Cb -0.25 -1.70 -0.11 0.00 0.51 0.00 0.00 43.02 41.48 2jm3 s PHE 27 CO 0.30 -0.77 0.96 0.71 0.70 0.00 0.00 175.22 177.12 2jm3 s TYR 28 N 1.35 3.27 -1.93 0.36 2.02 0.99 -4.74 117.35 118.67 2jm3 s TYR 28 Ca -0.02 1.60 0.08 0.00 -0.37 0.00 0.00 57.07 58.36 2jm3 s TYR 28 Cb -0.17 -2.88 0.24 0.00 -0.40 0.00 0.00 41.96 38.75 2jm3 s TYR 28 CO -0.08 -0.21 1.18 -2.13 -1.57 0.00 0.00 175.55 172.74 2jm3 n ARG 29 N -0.71 1.65 -2.10 -0.62 3.00 -1.26 -1.90 116.66 114.71 2jm3 n ARG 29 Ca 0.07 -0.96 -0.01 0.00 -0.00 0.00 0.00 57.85 56.96 2jm3 n ARG 29 Cb 0.54 -1.24 -0.01 0.00 0.00 0.00 0.00 32.46 31.75 2jm3 n ARG 29 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 2jm3 n ILE 30 N 0.27-10.83 -1.68 5.15 5.41 -1.26 -4.89 119.36 111.54 2jm3 n ILE 30 Ca 0.09 2.39 -0.46 0.00 1.00 0.00 0.00 62.75 65.77 2jm3 n ILE 30 Cb 0.24 -5.50 -0.04 0.00 -0.71 0.00 0.00 39.64 33.63 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 1.39 2.33 -0.28 0.38 -0.02 -1.26 -4.87 135.00 132.67 2jm3 n PRO 31 Ca -0.07 0.85 0.09 0.00 -2.02 0.00 0.00 63.50 62.35 2jm3 n PRO 31 Cb 0.11 -2.68 0.25 0.00 -0.02 0.00 0.00 33.50 31.16 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 5.29 2.73 -3.60 -0.52 2.85 -1.26 -3.89 118.16 119.75 2jm3 n LYS 32 Ca 0.19 -2.38 -0.08 0.00 -1.05 0.00 0.00 58.31 54.99 2jm3 n LYS 32 Cb 0.31 -1.45 -0.09 0.00 -0.65 0.00 0.00 35.03 33.16 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 -1.03 0.34 0.73 -1.58 3.52 -1.26 -3.82 118.95 115.85 2jm3 s ARG 33 Ca 0.38 0.98 -0.11 0.00 -0.13 0.00 0.00 55.73 56.85 2jm3 s ARG 33 Cb 0.20 0.24 0.03 0.00 -1.56 0.00 0.00 34.95 33.86 2jm3 s ARG 33 CO 0.26 -0.32 1.07 -1.25 -0.81 0.00 0.00 175.30 174.26 2jm3 s PRO 34 N 2.62 2.67 0.35 5.12 0.04 -1.26 -4.95 135.00 139.59 2jm3 s PRO 34 Ca 0.01 0.93 0.11 0.00 0.04 0.00 0.00 61.00 62.09 2jm3 s PRO 34 Cb -0.13 -1.96 0.66 0.00 0.04 0.00 0.00 34.50 33.11 2jm3 s PRO 34 CO -0.14 -1.28 1.80 1.25 0.04 0.00 0.00 177.00 178.67 2jm3 h LEU 35 N -0.85 0.07 -0.72 -3.56 6.46 -1.91 -1.75 115.31 113.05 2jm3 h LEU 35 Ca -0.44 -0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 57.23 2jm3 h LEU 35 Cb 1.22 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 41.10 2jm3 h LEU 35 CO 0.56 0.44 0.23 0.40 -0.62 0.00 0.00 178.44 179.45 2jm3 h ILE 36 N 0.06 1.26 -0.54 4.05 1.08 -1.97 0.27 117.51 121.73 2jm3 h ILE 36 Ca 0.01 -0.89 -0.10 0.00 -0.39 0.00 0.00 64.86 63.49 2jm3 h ILE 36 Cb 0.68 0.48 -0.02 0.00 -3.07 0.00 0.00 36.82 34.89 2jm3 h ILE 36 CO 0.05 0.35 -0.05 0.25 -0.69 0.00 0.00 178.15 178.06 2jm3 h LEU 37 N 1.05 0.94 -0.35 1.44 5.85 -1.79 -0.49 115.31 121.96 2jm3 h LEU 37 Ca 0.23 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2jm3 h LEU 37 Cb 0.30 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2jm3 h LEU 37 CO -0.01 1.02 0.23 -0.09 -0.34 0.00 0.00 178.44 179.25 2jm3 h ARG 38 N 0.87 0.46 -0.62 1.25 2.43 -0.79 -0.00 114.38 117.98 2jm3 h ARG 38 Ca 0.15 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.30 2jm3 h ARG 38 Cb 0.57 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 2jm3 h ARG 38 CO 0.03 0.31 0.40 0.37 -1.51 0.00 0.00 179.97 179.58 2jm3 h GLN 39 N 0.47 0.79 -0.04 0.20 -0.00 -0.17 -2.44 115.11 113.92 2jm3 h GLN 39 Ca 0.13 -0.05 -0.09 0.00 -0.00 0.00 0.00 58.65 58.64 2jm3 h GLN 39 Cb -0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 27.48 27.25 2jm3 h GLN 39 CO -0.03 0.52 -0.39 0.00 0.00 0.00 0.00 178.83 178.93 2jm3 h ARG 40 N 0.81 0.08 -0.71 1.69 2.47 -0.77 -3.07 114.38 114.88 2jm3 h ARG 40 Ca 0.23 -0.03 0.04 0.00 -1.26 0.00 0.00 59.98 58.95 2jm3 h ARG 40 Cb -0.06 -0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.21 2jm3 h ARG 40 CO -0.06 0.46 0.44 -1.49 0.56 0.00 0.00 179.97 179.88 2jm3 h TRP 41 N 0.07 0.82 0.00 3.04 4.06 -0.49 -1.84 115.95 121.60 2jm3 h TRP 41 Ca 0.00 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.98 2jm3 h TRP 41 Cb 0.73 -0.27 0.00 0.00 -1.00 0.00 0.00 29.16 28.62 2jm3 h TRP 41 CO 0.00 0.46 0.00 -0.07 -3.56 0.00 0.00 178.44 175.27 2jm3 h LEU 42 N 0.85 0.00 -0.34 -4.49 3.38 -1.49 -3.13 115.31 110.08 2jm3 h LEU 42 Ca 0.29 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.29 2jm3 h LEU 42 Cb 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2jm3 h LEU 42 CO -0.12 0.00 0.14 0.74 0.09 0.00 0.00 178.44 179.29 2jm3 h THR 43 N 0.00 0.93 0.02 0.22 2.02 -1.42 0.31 112.91 115.00 2jm3 h THR 43 Ca 0.00 -0.10 -0.21 0.00 0.77 0.00 0.00 66.41 66.87 2jm3 h THR 43 Cb 0.39 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 2jm3 h THR 43 CO 0.00 0.05 -0.95 0.00 0.37 0.00 0.00 175.52 175.00 2jm3 h ALA 44 N 1.21 0.44 0.00 6.16 0.00 -1.68 -3.11 119.26 122.28 2jm3 h ALA 44 Ca 0.15 -0.80 -0.06 0.00 0.00 0.00 0.00 54.91 54.20 2jm3 h ALA 44 Cb 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2jm3 h ALA 44 CO -0.14 1.05 -0.29 0.82 0.00 0.00 0.00 179.25 180.68 2jm3 h ILE 45 N 0.05 0.51 -0.36 0.00 2.04 -1.62 -3.44 117.51 114.68 2jm3 h ILE 45 Ca -0.04 -1.69 -0.15 0.00 1.00 0.00 0.00 64.86 63.98 2jm3 h ILE 45 Cb 1.63 2.22 -0.06 0.00 -0.74 0.00 0.00 36.82 39.88 2jm3 h ILE 45 CO 0.14 0.29 -0.14 0.61 0.00 0.00 0.00 178.15 179.04 2jm3 n GLY 46 N 1.11 0.95 3.93 5.37 0.00 0.08 -4.55 105.19 112.08 2jm3 n GLY 46 Ca 0.03 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.64 3.45 0.53 1.61 1.81 -1.09 -5.05 118.95 117.56 2jm3 s ARG 47 Ca 0.00 -0.14 0.09 0.00 -1.72 0.00 0.00 55.73 53.96 2jm3 s ARG 47 Cb 0.00 -2.53 0.06 0.00 -0.45 0.00 0.00 34.95 32.03 2jm3 s ARG 47 CO 0.00 -0.05 0.71 0.95 -0.68 0.00 0.00 175.30 176.23 2jm3 s THR 48 N -2.52 2.36 0.08 0.02 -4.23 -1.26 -4.75 115.64 105.34 2jm3 s THR 48 Ca 0.44 -1.03 -0.15 0.00 -1.18 0.00 0.00 61.69 59.77 2jm3 s THR 48 Cb -0.10 -2.39 -0.15 0.00 1.34 0.00 0.00 72.50 71.20 2jm3 s THR 48 CO 0.40 0.00 1.29 -0.33 -0.54 0.00 0.00 174.62 175.44 2jm3 h GLU 49 N 0.34 0.66 0.00 3.99 4.39 -1.99 -1.76 114.58 120.22 2jm3 h GLU 49 Ca -0.33 -0.50 -0.11 0.00 0.34 0.00 0.00 59.36 58.76 2jm3 h GLU 49 Cb 1.29 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 30.01 2jm3 h GLU 49 CO 0.43 1.12 -0.67 0.93 -1.16 0.00 0.00 179.01 179.66 2jm3 h GLU 50 N 0.34 0.00 0.00 2.33 3.07 -1.96 -3.24 114.58 115.12 2jm3 h GLU 50 Ca -0.03 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.79 2jm3 h GLU 50 Cb 1.19 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.10 2jm3 h GLU 50 CO 0.12 0.41 -0.33 1.15 -1.40 0.00 0.00 179.01 178.96 2jm3 h THR 51 N 0.00 0.36 0.00 1.13 2.02 -1.95 -3.31 112.91 111.16 2jm3 h THR 51 Ca -0.03 -1.52 -0.17 0.00 0.77 0.00 0.00 66.41 65.45 2jm3 h THR 51 Cb 1.39 2.13 -0.03 0.00 -1.74 0.00 0.00 68.15 69.90 2jm3 h THR 51 CO 0.06 0.21 -1.35 1.62 0.37 0.00 0.00 175.52 176.42 2jm3 h VAL 52 N 0.00 0.58 -2.86 3.16 3.04 -1.36 -3.42 116.25 115.40 2jm3 h VAL 52 Ca -0.01 -2.10 -0.77 0.00 -1.01 0.00 0.00 66.70 62.81 2jm3 h VAL 52 Cb 1.18 2.12 -0.23 0.00 -2.01 0.00 0.00 31.29 32.35 2jm3 h VAL 52 CO 0.03 0.33 0.91 -0.69 -1.01 0.00 0.00 177.57 177.14 2jm3 s VAL 53 N -2.89 5.51 0.00 1.51 1.01 -1.22 -4.38 120.40 119.93 2jm3 s VAL 53 Ca -0.02 -3.02 0.00 0.00 0.00 0.00 0.00 61.98 58.93 2jm3 s VAL 53 Cb 0.09 -4.76 0.00 0.00 0.00 0.00 0.00 36.38 31.70 2jm3 s VAL 53 CO 0.81 -1.41 0.00 -1.54 0.00 0.00 0.00 175.10 172.96 2jm3 n SER 54 N 4.20 0.00 -1.11 3.32 3.41 -1.26 -4.98 113.62 117.21 2jm3 n SER 54 Ca 0.30 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 59.02 2jm3 n SER 54 Cb 0.41 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.63 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 0.00 2.41 -2.18 4.33 -0.06 -1.26 -4.94 117.38 115.68 2jm3 n GLN 55 Ca 0.00 -2.17 -0.42 0.00 -2.00 0.00 0.00 57.00 52.41 2jm3 n GLN 55 Cb 0.00 -1.49 -0.03 0.00 -4.06 0.00 0.00 30.24 24.67 2jm3 n GLN 55 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 2jm3 s LEU 56 N -1.14 4.40 0.10 1.69 2.96 -1.26 -4.56 118.68 120.87 2jm3 s LEU 56 Ca 0.41 2.40 0.02 0.00 -0.22 0.00 0.00 54.13 56.74 2jm3 s LEU 56 Cb 0.22 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.26 2jm3 s LEU 56 CO 0.29 -0.58 -0.08 -0.13 -1.32 0.00 0.00 176.35 174.53 2jm3 s ARG 57 N 0.26 0.85 -0.07 1.98 0.52 0.06 -4.66 118.95 117.89 2jm3 s ARG 57 Ca 0.59 -1.29 0.02 0.00 -0.52 0.00 0.00 55.73 54.54 2jm3 s ARG 57 Cb -0.37 -0.31 0.01 0.00 0.52 0.00 0.00 34.95 34.80 2jm3 s ARG 57 CO 0.36 0.01 -0.12 0.42 0.02 0.00 0.00 175.30 175.99 2jm3 s ILE 58 N -3.28 1.12 0.60 1.52 -1.09 -0.80 -0.43 121.20 118.84 2jm3 s ILE 58 Ca 0.10 -0.46 -0.19 0.00 -2.23 0.00 0.00 60.65 57.86 2jm3 s ILE 58 Cb 0.03 -1.03 -0.03 0.00 -1.58 0.00 0.00 42.46 39.84 2jm3 s ILE 58 CO -0.03 0.35 1.27 0.00 -1.23 0.00 0.00 174.94 175.31 2jm3 h SER 60 N 0.96 0.00 0.51 0.00 4.64 -1.59 -2.85 113.55 115.23 2jm3 h SER 60 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 2jm3 h SER 60 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2jm3 h SER 60 CO 0.55 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.51 2jm3 n ALA 61 N -1.96 1.63 0.79 5.18 0.00 -1.26 -1.94 120.51 122.94 2jm3 n ALA 61 Ca 0.01 -0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.47 2jm3 n ALA 61 Cb 0.27 -1.25 0.14 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.63 0.54 -4.24 0.00 -0.00 -1.08 -4.69 115.22 104.13 2jm3 n HIS 62 Ca 0.03 -0.22 -0.18 0.00 -0.00 0.00 0.00 57.72 57.35 2jm3 n HIS 62 Cb 0.17 -0.10 -0.11 0.00 -0.00 0.00 0.00 29.99 29.95 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 -1.64 1.38 -0.37 4.41 0.40 -0.82 -0.52 117.98 120.82 2jm3 s PHE 63 Ca 0.20 -0.56 -0.28 0.00 -0.60 0.00 0.00 56.93 55.68 2jm3 s PHE 63 Cb 0.12 -0.72 -0.02 0.00 0.51 0.00 0.00 43.02 42.91 2jm3 s PHE 63 CO 0.10 0.13 1.87 -2.00 0.70 0.00 0.00 175.22 176.03 2jm3 s GLU 64 N -2.67 3.16 0.00 0.44 2.12 -1.26 -2.10 118.70 118.38 2jm3 s GLU 64 Ca 0.09 1.36 0.00 0.00 0.36 0.00 0.00 54.97 56.77 2jm3 s GLU 64 Cb -0.05 -4.26 0.00 0.00 0.26 0.00 0.00 34.13 30.09 2jm3 s GLU 64 CO 0.03 -2.07 0.00 0.41 -0.54 0.00 0.00 175.26 173.09 2jm3 n GLY 65 N 5.51 3.11 1.11 -1.50 0.00 -1.26 -4.37 105.19 107.79 2jm3 n GLY 65 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.46 0.18 3.53 -0.02 0.00 -0.89 -5.03 105.19 101.50 2jm3 n GLY 66 Ca 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 46.02 45.66 2jm3 n GLY 66 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jm3 s GLU 67 N -2.74 0.56 -0.27 1.61 2.12 -1.26 -4.95 118.70 113.78 2jm3 s GLU 67 Ca 0.00 1.34 -0.12 0.00 0.36 0.00 0.00 54.97 56.55 2jm3 s GLU 67 Cb 0.00 0.77 -0.05 0.00 0.26 0.00 0.00 34.13 35.12 2jm3 s GLU 67 CO 0.00 -0.29 0.23 0.21 -0.54 0.00 0.00 175.26 174.88 2jm3 s LYS 68 N 2.87 3.99 0.00 4.30 2.20 -1.26 -4.85 119.74 126.99 2jm3 s LYS 68 Ca -0.01 -0.22 0.00 0.00 -0.36 0.00 0.00 55.97 55.39 2jm3 s LYS 68 Cb -0.13 -3.64 0.00 0.00 -1.51 0.00 0.00 37.83 32.56 2jm3 s LYS 68 CO -0.19 -0.16 0.00 1.63 -0.36 0.00 0.00 175.35 176.27 2jm3 n LYS 69 N 4.98 0.00 -0.31 4.03 4.01 -1.26 -5.02 118.16 124.59 2jm3 n LYS 69 Ca -0.13 0.00 0.07 0.00 -0.51 0.00 0.00 58.31 57.74 2jm3 n LYS 69 Cb 0.52 0.00 0.11 0.00 -0.51 0.00 0.00 35.03 35.14 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 0.00 0.94 0.00 1.97 1.02 -1.26 -4.78 120.64 118.53 2jm3 n GLU 70 Ca 0.00 -2.25 0.00 0.00 -0.02 0.00 0.00 57.16 54.89 2jm3 n GLU 70 Cb 0.00 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 2jm3 n GLU 70 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jm3 n GLY 71 N -0.95 0.00 3.68 0.62 0.00 -1.26 -4.86 105.19 102.41 2jm3 n GLY 71 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.69 6.95 -0.13 1.61 1.11 -1.26 -0.08 116.67 124.18 2jm3 s ASP 72 Ca 0.00 1.90 -0.08 0.00 0.18 0.00 0.00 52.55 54.55 2jm3 s ASP 72 Cb 0.00 -2.55 -0.04 0.00 1.07 0.00 0.00 42.92 41.39 2jm3 s ASP 72 CO 0.00 -0.68 0.15 -0.63 1.18 0.00 0.00 175.17 175.20 2jm3 s ILE 73 N 2.63 5.47 -0.31 0.77 1.09 -0.28 -4.73 121.20 125.83 2jm3 s ILE 73 Ca 0.59 0.24 -0.29 0.00 -1.10 0.00 0.00 60.65 60.09 2jm3 s ILE 73 Cb -0.26 -3.43 -0.01 0.00 -1.06 0.00 0.00 42.46 37.69 2jm3 s ILE 73 CO 0.22 0.59 1.65 -2.16 -0.10 0.00 0.00 174.94 175.14 2jm3 s PRO 74 N -0.81 3.55 0.31 2.79 0.04 -1.26 -4.33 135.00 135.29 2jm3 s PRO 74 Ca 0.14 1.40 0.01 0.00 0.04 0.00 0.00 61.00 62.59 2jm3 s PRO 74 Cb -0.12 -4.10 -0.03 0.00 0.04 0.00 0.00 34.50 30.28 2jm3 s PRO 74 CO 0.04 -1.59 0.50 0.14 0.04 0.00 0.00 177.00 176.12 2jm3 s VAL 75 N 5.97 5.14 0.19 -0.36 -7.23 0.33 -4.48 120.40 119.96 2jm3 s VAL 75 Ca 0.73 -0.54 0.34 0.00 -1.81 0.00 0.00 61.98 60.70 2jm3 s VAL 75 Cb -0.21 -3.85 0.39 0.00 0.56 0.00 0.00 36.38 33.27 2jm3 s VAL 75 CO 0.32 -0.47 2.03 1.55 -0.31 0.00 0.00 175.10 178.22 2jm3 h PRO 76 N 0.98 0.00 -0.61 4.82 0.13 -1.86 -3.42 132.00 132.05 2jm3 h PRO 76 Ca -0.50 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 64.78 2jm3 h PRO 76 Cb 1.22 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.14 2jm3 h PRO 76 CO 0.62 0.02 -0.13 0.34 -0.23 0.00 0.00 178.00 178.62 2jm3 s ASP 77 N -5.67 -0.94 0.10 1.44 -1.08 -1.26 -4.98 116.67 104.28 2jm3 s ASP 77 Ca 0.00 0.27 0.17 0.00 -0.52 0.00 0.00 52.55 52.47 2jm3 s ASP 77 Cb 0.10 1.66 0.74 0.00 -1.46 0.00 0.00 42.92 43.95 2jm3 s ASP 77 CO 0.53 -0.17 1.54 -0.81 0.52 0.00 0.00 175.17 176.78 2jm3 n PRO 78 N 5.33 0.07 0.00 4.34 -0.04 -1.26 0.28 135.00 143.72 2jm3 n PRO 78 Ca 0.03 0.33 0.09 0.00 -0.04 0.00 0.00 63.50 63.91 2jm3 n PRO 78 Cb 0.55 -1.65 -0.08 0.00 -0.04 0.00 0.00 33.50 32.28 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 -1.79 0.00 0.03 0.52 -2.24 -1.26 -4.73 114.28 104.80 2jm3 n THR 79 Ca 0.03 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2jm3 n THR 79 Cb 0.18 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 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 -1.14 0.37 -2.20 2.28 0.31 -0.88 -5.09 118.33 111.97 2jm3 n VAL 80 Ca 0.04 0.12 -0.27 0.00 -0.01 0.00 0.00 64.34 64.23 2jm3 n VAL 80 Cb 0.30 -1.32 0.13 0.00 -0.91 0.00 0.00 33.84 32.05 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 -5.30 3.90 -0.62 4.52 -1.08 0.14 -5.01 116.67 113.22 2jm3 s ASP 81 Ca 0.00 0.10 -0.19 0.00 -0.52 0.00 0.00 52.55 51.94 2jm3 s ASP 81 Cb 0.00 -0.39 0.10 0.00 -1.46 0.00 0.00 42.92 41.17 2jm3 s ASP 81 CO 0.00 -2.20 0.76 -0.54 0.52 0.00 0.00 175.17 173.71 2jm3 s LYS 82 N -5.51 3.09 -0.47 4.34 3.01 -1.26 -4.64 119.74 118.31 2jm3 s LYS 82 Ca 0.68 -1.31 -0.43 0.00 -1.01 0.00 0.00 55.97 53.90 2jm3 s LYS 82 Cb -0.06 -4.29 -0.18 0.00 -1.01 0.00 0.00 37.83 32.29 2jm3 s LYS 82 CO 0.48 -1.58 2.05 0.94 0.51 0.00 0.00 175.35 177.75 2jm3 n GLN 83 N 6.45 0.21 -2.67 1.68 -0.06 -1.26 -4.89 117.38 116.84 2jm3 n GLN 83 Ca -0.07 0.06 -0.42 0.00 -2.00 0.00 0.00 57.00 54.57 2jm3 n GLN 83 Cb 0.43 -1.67 -0.03 0.00 -4.06 0.00 0.00 30.24 24.92 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 5.66 4.76 -0.02 1.69 1.01 -1.26 -5.01 121.20 128.03 2jm3 s ILE 84 Ca 1.15 2.00 0.00 0.00 0.00 0.00 0.00 60.65 63.80 2jm3 s ILE 84 Cb -1.39 -4.28 0.02 0.00 0.01 0.00 0.00 42.46 36.82 2jm3 s ILE 84 CO 0.66 0.09 0.01 -1.59 0.00 0.00 0.00 174.94 174.11 2jm3 s LYS 85 N 1.48 0.10 0.12 2.79 -2.85 -1.26 -1.13 119.74 118.99 2jm3 s LYS 85 Ca 0.51 0.10 -0.29 0.00 -1.00 0.00 0.00 55.97 55.29 2jm3 s LYS 85 Cb -0.21 -0.29 -0.06 0.00 -2.06 0.00 0.00 37.83 35.21 2jm3 s LYS 85 CO 0.24 -0.12 0.92 0.42 0.10 0.00 0.00 175.35 176.91 2jm3 s ILE 86 N 0.82 4.47 -0.67 3.79 1.01 0.88 -4.98 121.20 126.53 2jm3 s ILE 86 Ca -0.07 2.00 -0.26 0.00 0.00 0.00 0.00 60.65 62.31 2jm3 s ILE 86 Cb -0.11 -4.29 -0.01 0.00 0.01 0.00 0.00 42.46 38.07 2jm3 s ILE 86 CO -0.02 0.36 1.72 -0.70 0.00 0.00 0.00 174.94 176.30 2jm3 s GLU 87 N -0.21 2.77 -0.26 2.79 2.56 -1.26 -4.67 118.70 120.42 2jm3 s GLU 87 Ca 0.44 0.33 -0.02 0.00 0.00 0.00 0.00 54.97 55.72 2jm3 s GLU 87 Cb -0.23 -4.39 0.03 0.00 2.00 0.00 0.00 34.13 31.53 2jm3 s GLU 87 CO 0.29 -2.62 -0.03 -1.17 -0.56 0.00 0.00 175.26 171.17 2jm3 s LEU 88 N 8.26 3.36 0.67 2.70 2.96 -1.26 -5.11 118.68 130.26 2jm3 s LEU 88 Ca 0.59 -0.89 -0.13 0.00 -0.22 0.00 0.00 54.13 53.48 2jm3 s LEU 88 Cb -0.11 -1.70 0.00 0.00 0.50 0.00 0.00 46.19 44.88 2jm3 s LEU 88 CO 0.18 -0.15 1.08 -2.84 -1.32 0.00 0.00 176.35 173.29 2jm3 s PRO 89 N 1.34 2.89 0.28 0.98 0.02 -1.26 -4.95 135.00 134.31 2jm3 s PRO 89 Ca -0.00 1.19 0.02 0.00 0.02 0.00 0.00 61.00 62.23 2jm3 s PRO 89 Cb -0.17 -1.98 0.66 0.00 0.02 0.00 0.00 34.50 33.03 2jm3 s PRO 89 CO -0.03 -1.15 1.73 -1.35 -0.33 0.00 0.00 177.00 175.87 2jm3 h PRO 90 N -0.23 0.52 0.00 5.54 0.11 -2.05 -3.54 132.00 132.36 2jm3 h PRO 90 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2jm3 h PRO 90 Cb 1.23 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2jm3 h PRO 90 CO 0.55 0.35 0.00 1.17 -0.21 0.00 0.00 178.00 179.86