#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 0.13 -3.97 1.61 4.64 -2.06 -3.45 113.55 110.45 2jm3 h SER 2 Ca 0.00 -0.09 -0.52 0.00 -0.47 0.00 0.00 61.79 60.71 2jm3 h SER 2 Cb 0.00 -0.04 0.08 0.00 -0.31 0.00 0.00 62.40 62.13 2jm3 h SER 2 CO 0.00 0.81 0.57 0.00 -0.87 0.00 0.00 176.83 177.34 2jm3 s MET 3 N -3.45 3.86 -0.07 4.77 0.00 -1.26 -4.92 119.30 118.24 2jm3 s MET 3 Ca -0.02 2.04 -0.29 0.00 0.00 0.00 0.00 55.69 57.42 2jm3 s MET 3 Cb 0.12 -2.63 -0.07 0.00 0.00 0.00 0.00 34.83 32.25 2jm3 s MET 3 CO 0.79 -0.54 2.03 -1.25 0.00 0.00 0.00 175.02 176.05 2jm3 s PRO 4 N -2.40 3.77 -0.95 3.16 0.04 -1.26 -4.92 135.00 132.44 2jm3 s PRO 4 Ca 0.60 2.35 -0.12 0.00 0.04 0.00 0.00 61.00 63.86 2jm3 s PRO 4 Cb -0.35 -4.22 0.24 0.00 0.04 0.00 0.00 34.50 30.20 2jm3 s PRO 4 CO 0.44 -1.37 0.93 0.99 0.04 0.00 0.00 177.00 178.03 2jm3 s THR 5 N 5.82 5.71 0.33 1.26 2.01 -1.26 -5.03 115.64 124.48 2jm3 s THR 5 Ca 0.91 -2.79 -0.16 0.00 0.31 0.00 0.00 61.69 59.96 2jm3 s THR 5 Cb -0.38 -4.55 -0.09 0.00 0.01 0.00 0.00 72.50 67.49 2jm3 s THR 5 CO 0.38 -1.12 0.76 -0.89 -0.69 0.00 0.00 174.62 173.06 2jm3 s THR 6 N -0.22 4.65 0.44 -0.82 2.01 -1.26 -5.02 115.64 115.42 2jm3 s THR 6 Ca 0.24 1.00 -0.22 0.00 0.31 0.00 0.00 61.69 63.02 2jm3 s THR 6 Cb -0.10 -3.61 -0.09 0.00 0.01 0.00 0.00 72.50 68.71 2jm3 s THR 6 CO -0.08 -0.20 1.02 0.00 -0.69 0.00 0.00 174.62 174.66 2jm3 n GLY 8 N -0.09 0.61 3.77 0.00 0.00 0.55 -4.78 105.19 105.25 2jm3 n GLY 8 Ca 0.07 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.95 2.62 0.47 1.61 0.40 -1.26 -4.90 117.98 114.96 2jm3 s PHE 9 Ca 0.33 1.55 0.24 0.00 -0.60 0.00 0.00 56.93 58.45 2jm3 s PHE 9 Cb 0.20 -3.16 1.28 0.00 0.51 0.00 0.00 43.02 41.86 2jm3 s PHE 9 CO 0.31 -1.69 1.86 -1.35 0.70 0.00 0.00 175.22 175.05 2jm3 h PRO 10 N -0.06 0.20 -1.00 0.24 0.11 -1.91 -3.40 132.00 126.18 2jm3 h PRO 10 Ca -0.46 -0.01 0.17 0.00 0.11 0.00 0.00 66.00 65.80 2jm3 h PRO 10 Cb 1.24 -0.05 -0.23 0.00 0.11 0.00 0.00 31.00 32.08 2jm3 h PRO 10 CO 0.54 0.13 0.14 1.21 -0.21 0.00 0.00 178.00 179.81 2jm3 s ASN 11 N -5.58 -0.68 -0.39 -2.05 3.84 -1.26 -5.13 114.94 103.69 2jm3 s ASN 11 Ca -0.07 0.80 -0.16 0.00 0.21 0.00 0.00 52.86 53.64 2jm3 s ASN 11 Cb 0.22 1.72 0.01 0.00 -0.55 0.00 0.00 41.25 42.65 2jm3 s ASN 11 CO 0.78 -0.13 0.40 0.00 -2.79 0.00 0.00 177.10 175.36 2jm3 n LYS 13 N 5.50 1.79 -0.08 0.00 2.85 -1.26 -4.40 118.16 122.55 2jm3 n LYS 13 Ca -0.08 -1.20 -0.10 0.00 -1.05 0.00 0.00 58.31 55.88 2jm3 n LYS 13 Cb 0.48 -1.37 -0.04 0.00 -0.65 0.00 0.00 35.03 33.45 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 0.43 0.69 0.32 5.58 3.72 -1.26 -3.77 117.46 123.17 2jm3 n PHE 14 Ca 0.15 0.30 0.21 0.00 -0.05 0.00 0.00 57.45 58.06 2jm3 n PHE 14 Cb 0.33 -0.79 1.03 0.00 -0.94 0.00 0.00 39.48 39.12 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 -1.00 0.00 -0.01 -1.08 0.11 -1.94 -0.43 114.38 110.03 2jm3 h ARG 15 Ca -0.11 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.97 2jm3 h ARG 15 Cb 0.82 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.90 2jm3 h ARG 15 CO -0.06 0.00 -0.40 -1.13 0.10 0.00 0.00 179.97 178.47 2jm3 n SER 16 N -3.10 1.44 0.09 0.08 3.41 -1.26 -4.16 113.62 110.12 2jm3 n SER 16 Ca -0.02 -1.15 0.01 0.00 -0.26 0.00 0.00 58.87 57.45 2jm3 n SER 16 Cb 0.15 0.34 0.33 0.00 -0.26 0.00 0.00 64.21 64.77 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 1.63 0.30 -6.33 4.33 2.43 -1.16 -3.44 114.38 112.14 2jm3 h ARG 17 Ca 0.00 -0.08 -0.48 0.00 -0.81 0.00 0.00 59.98 58.60 2jm3 h ARG 17 Cb 0.62 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.13 2jm3 h ARG 17 CO 0.00 0.48 -0.26 0.71 -1.51 0.00 0.00 179.97 179.38 2jm3 s TYR 18 N -4.62 2.27 -1.21 2.20 2.02 -1.26 -5.00 117.35 111.75 2jm3 s TYR 18 Ca -0.06 -0.57 -0.18 0.00 -0.37 0.00 0.00 57.07 55.89 2jm3 s TYR 18 Cb 0.15 -2.20 -0.02 0.00 -0.40 0.00 0.00 41.96 39.48 2jm3 s TYR 18 CO 0.75 -0.51 2.01 0.54 -1.57 0.00 0.00 175.55 176.77 2jm3 n ARG 19 N -1.84 2.42 -3.51 -0.62 5.12 -1.26 -4.53 116.66 112.44 2jm3 n ARG 19 Ca 0.07 -2.53 -0.20 0.00 -1.93 0.00 0.00 57.85 53.26 2jm3 n ARG 19 Cb 0.61 -3.29 0.02 0.00 -1.16 0.00 0.00 32.46 28.64 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 4.69 -1.16 0.24 -0.13 0.00 -1.26 -4.91 105.19 102.66 2jm3 n GLY 20 Ca 0.50 0.51 0.03 0.00 0.00 0.00 0.00 46.02 47.05 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 -3.02 1.62 -1.66 0.99 4.77 -1.26 -4.97 117.00 113.47 2jm3 n LEU 21 Ca -0.12 -1.15 -0.21 0.00 -0.03 0.00 0.00 56.01 54.50 2jm3 n LEU 21 Cb 0.59 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.58 2jm3 n LEU 21 CO 0.62 0.36 -0.20 1.21 -1.33 0.00 0.00 177.39 178.04 2jm3 n GLU 22 N 0.28 -1.47 0.00 3.23 4.07 -1.26 -3.44 120.64 122.05 2jm3 n GLU 22 Ca 0.04 1.21 0.00 0.00 -0.06 0.00 0.00 57.16 58.35 2jm3 n GLU 22 Cb 0.17 -5.62 0.00 0.00 -0.06 0.00 0.00 31.44 25.93 2jm3 n GLU 22 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2jm3 n ASP 23 N -1.42 0.00 -1.32 4.31 -0.08 -1.26 -4.11 116.55 112.67 2jm3 n ASP 23 Ca -0.21 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 52.96 2jm3 n ASP 23 Cb 0.68 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.15 2jm3 n ASP 23 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2jm3 n ASN 24 N 1.03 -3.55 -4.98 1.67 5.15 -1.22 -5.03 115.26 108.33 2jm3 n ASN 24 Ca 0.00 -0.05 -0.20 0.00 -0.60 0.00 0.00 54.58 53.73 2jm3 n ASN 24 Cb 0.00 -2.68 0.06 0.00 -0.53 0.00 0.00 39.78 36.62 2jm3 n ASN 24 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 2jm3 s ARG 25 N -4.71 2.34 -0.51 1.20 3.52 -1.26 -5.04 118.95 114.48 2jm3 s ARG 25 Ca 0.05 -1.45 -0.27 0.00 -0.13 0.00 0.00 55.73 53.94 2jm3 s ARG 25 Cb -0.02 -2.62 0.03 0.00 -1.56 0.00 0.00 34.95 30.78 2jm3 s ARG 25 CO 0.06 -0.81 1.06 -1.58 -0.81 0.00 0.00 175.30 173.22 2jm3 s HIS 26 N -2.67 2.79 -0.41 5.12 2.46 -1.26 -4.93 115.29 116.38 2jm3 s HIS 26 Ca 0.61 0.42 -0.24 0.00 0.47 0.00 0.00 55.06 56.32 2jm3 s HIS 26 Cb -0.07 -4.27 0.02 0.00 -0.13 0.00 0.00 32.58 28.13 2jm3 s HIS 26 CO 0.38 -1.32 0.85 -0.06 -2.47 0.00 0.00 174.74 172.13 2jm3 s PHE 27 N 4.31 3.02 0.34 3.88 0.40 -1.26 -2.90 117.98 125.77 2jm3 s PHE 27 Ca 0.41 0.46 -0.22 0.00 -0.60 0.00 0.00 56.93 56.97 2jm3 s PHE 27 Cb -0.09 -3.67 -0.10 0.00 0.51 0.00 0.00 43.02 39.67 2jm3 s PHE 27 CO 0.27 -0.91 0.89 0.71 0.70 0.00 0.00 175.22 176.87 2jm3 s TYR 28 N 3.40 3.53 -0.37 0.36 2.02 0.39 -4.82 117.35 121.86 2jm3 s TYR 28 Ca 0.34 1.61 0.05 0.00 -0.37 0.00 0.00 57.07 58.70 2jm3 s TYR 28 Cb -0.12 -2.82 0.59 0.00 -0.40 0.00 0.00 41.96 39.21 2jm3 s TYR 28 CO 0.21 0.12 1.73 0.54 -1.57 0.00 0.00 175.55 176.58 2jm3 n ARG 29 N 0.12 2.48 -2.09 -0.62 5.12 -1.26 -1.63 116.66 118.78 2jm3 n ARG 29 Ca 0.03 -2.55 0.00 0.00 -1.93 0.00 0.00 57.85 53.40 2jm3 n ARG 29 Cb 0.52 -2.02 0.00 0.00 -1.16 0.00 0.00 32.46 29.80 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 -0.62-11.76 -1.54 0.55 5.41 -1.26 -4.77 119.36 105.36 2jm3 n ILE 30 Ca 0.45 2.73 -0.34 0.00 1.00 0.00 0.00 62.75 66.60 2jm3 n ILE 30 Cb 1.41 -5.54 -0.06 0.00 -0.71 0.00 0.00 39.64 34.73 2jm3 n ILE 30 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2jm3 n PRO 31 N 1.56 0.75 0.00 0.38 -0.04 -1.26 -4.77 135.00 131.62 2jm3 n PRO 31 Ca 0.00 -0.12 0.15 0.00 -0.04 0.00 0.00 63.50 63.50 2jm3 n PRO 31 Cb 0.00 -3.04 0.79 0.00 -0.04 0.00 0.00 33.50 31.20 2jm3 n PRO 31 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2jm3 n LYS 32 N 8.77 0.59 -3.69 0.54 4.01 -1.26 -2.59 118.16 124.53 2jm3 n LYS 32 Ca 0.45 -0.03 -0.11 0.00 -0.51 0.00 0.00 58.31 58.11 2jm3 n LYS 32 Cb 0.42 -1.50 -0.12 0.00 -0.51 0.00 0.00 35.03 33.33 2jm3 n LYS 32 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 2jm3 s ARG 33 N -2.43 0.28 0.59 1.97 1.70 -1.26 -3.59 118.95 116.21 2jm3 s ARG 33 Ca 0.33 0.76 -0.18 0.00 -0.47 0.00 0.00 55.73 56.17 2jm3 s ARG 33 Cb 0.21 0.01 -0.04 0.00 -0.57 0.00 0.00 34.95 34.56 2jm3 s ARG 33 CO 0.44 -0.20 1.13 -1.25 -1.08 0.00 0.00 175.30 174.34 2jm3 s PRO 34 N 1.80 3.13 0.47 3.89 0.04 -1.26 -4.95 135.00 138.11 2jm3 s PRO 34 Ca -0.06 1.56 0.14 0.00 0.04 0.00 0.00 61.00 62.68 2jm3 s PRO 34 Cb -0.10 -1.98 1.12 0.00 0.04 0.00 0.00 34.50 33.58 2jm3 s PRO 34 CO -0.11 -1.02 2.07 1.25 0.04 0.00 0.00 177.00 179.23 2jm3 h LEU 35 N 0.77 0.21 -0.76 -3.56 6.46 -1.86 -0.99 115.31 115.59 2jm3 h LEU 35 Ca -0.49 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.26 2jm3 h LEU 35 Cb 1.26 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 41.11 2jm3 h LEU 35 CO 0.56 0.14 0.42 0.40 -0.62 0.00 0.00 178.44 179.34 2jm3 h ILE 36 N 0.25 1.23 -0.38 4.05 1.08 -1.92 0.28 117.51 122.09 2jm3 h ILE 36 Ca 0.13 -0.55 0.00 0.00 -0.39 0.00 0.00 64.86 64.05 2jm3 h ILE 36 Cb 0.23 0.22 -0.02 0.00 -3.07 0.00 0.00 36.82 34.18 2jm3 h ILE 36 CO -0.03 0.25 0.24 0.25 -0.69 0.00 0.00 178.15 178.17 2jm3 h LEU 37 N 1.04 0.44 -0.55 1.44 6.46 -1.50 -1.21 115.31 121.44 2jm3 h LEU 37 Ca 0.27 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 58.00 2jm3 h LEU 37 Cb 0.02 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 39.82 2jm3 h LEU 37 CO -0.04 0.34 0.35 -0.09 -0.62 0.00 0.00 178.44 178.37 2jm3 h ARG 38 N 0.50 0.73 -0.42 1.25 2.43 -0.85 0.20 114.38 118.23 2jm3 h ARG 38 Ca 0.14 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 2jm3 h ARG 38 Cb -0.03 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.34 2jm3 h ARG 38 CO -0.03 0.51 0.23 0.37 -1.51 0.00 0.00 179.97 179.53 2jm3 h GLN 39 N 0.74 0.59 0.00 0.20 -0.00 -0.19 -2.31 115.11 114.14 2jm3 h GLN 39 Ca 0.20 -0.07 -0.07 0.00 -0.00 0.00 0.00 58.65 58.71 2jm3 h GLN 39 Cb -0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 27.48 27.31 2jm3 h GLN 39 CO -0.04 0.48 -0.33 0.00 0.00 0.00 0.00 178.83 178.94 2jm3 h ARG 40 N 0.54 0.00 0.00 1.69 2.47 -0.95 -2.91 114.38 115.22 2jm3 h ARG 40 Ca 0.15 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.81 2jm3 h ARG 40 Cb 0.06 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.38 2jm3 h ARG 40 CO -0.02 0.33 -0.26 -1.49 0.56 0.00 0.00 179.97 179.09 2jm3 h TRP 41 N 0.00 0.00 0.00 3.04 4.06 -0.04 -1.88 115.95 121.13 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 0.90 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.06 2jm3 h TRP 41 CO 0.00 0.26 0.00 -0.07 -3.56 0.00 0.00 178.44 175.07 2jm3 h LEU 42 N 0.00 0.00 0.06 -4.49 3.38 -1.29 -3.37 115.31 109.61 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 0.54 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 2jm3 h LEU 42 CO 0.03 0.00 -0.48 0.74 0.09 0.00 0.00 178.44 178.82 2jm3 h THR 43 N 0.00 0.00 0.00 0.22 2.02 -1.46 0.46 112.91 114.15 2jm3 h THR 43 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2jm3 h THR 43 Cb 0.54 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 2jm3 h THR 43 CO 0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 2jm3 n ALA 44 N -2.90 2.22 0.07 6.16 0.00 -1.26 -2.32 120.51 122.49 2jm3 n ALA 44 Ca -0.07 -0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.40 2jm3 n ALA 44 Cb 0.37 -1.46 -0.04 0.00 0.00 0.00 0.00 19.45 18.32 2jm3 n ALA 44 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2jm3 h ILE 45 N 0.00 0.29 -4.34 0.00 3.07 -1.70 -3.44 117.51 111.39 2jm3 h ILE 45 Ca 0.00 -1.56 -0.34 0.00 1.55 0.00 0.00 64.86 64.51 2jm3 h ILE 45 Cb 0.67 1.83 0.08 0.00 -0.27 0.00 0.00 36.82 39.12 2jm3 h ILE 45 CO 0.00 0.17 -0.53 0.61 -1.05 0.00 0.00 178.15 177.34 2jm3 n GLY 46 N 1.29 -0.31 3.58 0.16 0.00 0.13 -4.66 105.19 105.37 2jm3 n GLY 46 Ca -0.05 0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -5.77 2.86 0.80 1.61 1.81 -1.18 -5.08 118.95 114.00 2jm3 s ARG 47 Ca 0.36 -0.54 -0.04 0.00 -1.72 0.00 0.00 55.73 53.78 2jm3 s ARG 47 Cb -0.16 -2.63 0.17 0.00 -0.45 0.00 0.00 34.95 31.88 2jm3 s ARG 47 CO 0.44 0.62 1.10 0.25 -0.68 0.00 0.00 175.30 177.03 2jm3 n THR 48 N 2.36 0.00 0.32 0.02 -2.24 -1.26 -4.84 114.28 108.65 2jm3 n THR 48 Ca -0.18 -1.45 0.15 0.00 -2.27 0.00 0.00 64.05 60.30 2jm3 n THR 48 Cb 0.53 -1.04 0.64 0.00 -2.10 0.00 0.00 70.33 68.36 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 -1.18 114.58 115.70 2jm3 h GLU 49 Ca -0.36 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.86 2jm3 h GLU 49 Cb 1.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 2jm3 h GLU 49 CO 0.35 0.00 -0.66 0.93 -1.00 0.00 0.00 179.01 178.63 2jm3 h GLU 50 N 0.00 0.00 -0.34 2.33 5.08 -2.04 -3.32 114.58 116.29 2jm3 h GLU 50 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2jm3 h GLU 50 Cb 0.38 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 2jm3 h GLU 50 CO 0.00 0.66 0.02 0.25 -1.00 0.00 0.00 179.01 178.93 2jm3 n THR 51 N -3.28 2.43 -4.33 1.13 -2.24 -0.48 -5.00 114.28 102.51 2jm3 n THR 51 Ca 0.01 -2.03 -0.19 0.00 -2.27 0.00 0.00 64.05 59.57 2jm3 n THR 51 Cb 0.79 -0.28 -0.09 0.00 -2.10 0.00 0.00 70.33 68.65 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 -2.94 0.25 0.00 2.28 0.11 -1.02 -4.75 120.40 114.33 2jm3 s VAL 52 Ca 0.44 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.49 2jm3 s VAL 52 Cb 0.37 -2.49 0.00 0.00 -1.53 0.00 0.00 36.38 32.73 2jm3 s VAL 52 CO 0.08 0.00 0.00 0.52 -3.33 0.00 0.00 175.10 172.37 2jm3 n VAL 53 N -0.60 0.00 0.00 2.04 0.31 -1.26 -4.54 118.33 114.27 2jm3 n VAL 53 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 2jm3 n VAL 53 Cb 0.64 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.57 2jm3 n VAL 53 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2jm3 n SER 54 N 4.21 0.00 -0.22 4.52 3.41 -1.26 -4.02 113.62 120.26 2jm3 n SER 54 Ca 0.00 0.58 0.01 0.00 -0.26 0.00 0.00 58.87 59.20 2jm3 n SER 54 Cb 0.00 -0.41 0.03 0.00 -0.26 0.00 0.00 64.21 63.57 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 -1.73 1.20 -3.98 4.33 1.13 -1.26 -4.73 117.38 112.33 2jm3 n GLN 55 Ca 0.00 -0.26 -0.34 0.00 -1.94 0.00 0.00 57.00 54.46 2jm3 n GLN 55 Cb 0.00 -1.15 -0.15 0.00 0.11 0.00 0.00 30.24 29.05 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 -0.86 2.95 0.03 1.08 2.96 -1.26 -4.63 118.68 118.96 2jm3 s LEU 56 Ca 0.05 -0.76 0.06 0.00 -0.22 0.00 0.00 54.13 53.26 2jm3 s LEU 56 Cb 0.03 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 45.05 2jm3 s LEU 56 CO 0.03 -0.09 -0.18 -0.13 -1.32 0.00 0.00 176.35 174.67 2jm3 s ARG 57 N 1.34 1.24 -0.09 1.98 1.81 -1.26 -4.61 118.95 119.35 2jm3 s ARG 57 Ca 0.02 -0.79 0.03 0.00 -1.72 0.00 0.00 55.73 53.27 2jm3 s ARG 57 Cb -0.16 -1.28 0.01 0.00 -0.45 0.00 0.00 34.95 33.08 2jm3 s ARG 57 CO -0.06 0.33 -0.18 0.42 -0.68 0.00 0.00 175.30 175.14 2jm3 s ILE 58 N -0.70 1.60 0.73 1.52 -1.09 -0.64 -0.33 121.20 122.29 2jm3 s ILE 58 Ca 0.05 -0.74 -0.14 0.00 -2.23 0.00 0.00 60.65 57.59 2jm3 s ILE 58 Cb -0.08 -1.43 0.04 0.00 -1.58 0.00 0.00 42.46 39.41 2jm3 s ILE 58 CO 0.01 0.46 1.17 0.00 -1.23 0.00 0.00 174.94 175.35 2jm3 n SER 60 N -2.79 0.34 0.00 0.00 3.41 -1.14 -3.18 113.62 110.25 2jm3 n SER 60 Ca 0.12 -0.58 0.10 0.00 -0.26 0.00 0.00 58.87 58.26 2jm3 n SER 60 Cb 0.51 -0.11 0.50 0.00 -0.26 0.00 0.00 64.21 64.85 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 -0.99 2.05 0.28 7.33 0.00 -1.26 -2.57 120.51 125.35 2jm3 n ALA 61 Ca 0.16 -0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.55 2jm3 n ALA 61 Cb 0.25 -1.34 0.19 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.35 0.88 -4.43 0.00 -0.00 -1.19 -4.72 115.22 104.41 2jm3 n HIS 62 Ca 0.08 -0.33 -0.21 0.00 -0.00 0.00 0.00 57.72 57.26 2jm3 n HIS 62 Cb 0.19 -0.22 -0.11 0.00 -0.00 0.00 0.00 29.99 29.86 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 -1.77 1.92 -0.32 4.41 0.40 -1.06 -0.72 117.98 120.84 2jm3 s PHE 63 Ca 0.27 -0.94 -0.04 0.00 -0.60 0.00 0.00 56.93 55.63 2jm3 s PHE 63 Cb 0.19 -1.23 0.02 0.00 0.51 0.00 0.00 43.02 42.51 2jm3 s PHE 63 CO 0.11 0.02 2.77 -0.85 0.70 0.00 0.00 175.22 177.97 2jm3 n GLU 64 N -0.65 2.16 0.00 0.44 -0.00 -1.26 -4.16 120.64 117.17 2jm3 n GLU 64 Ca -0.03 -1.85 0.00 0.00 -0.00 0.00 0.00 57.16 55.28 2jm3 n GLU 64 Cb 0.66 -1.97 0.00 0.00 -0.00 0.00 0.00 31.44 30.13 2jm3 n GLU 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2jm3 n GLY 65 N 1.12 1.64 0.00 -1.84 0.00 -1.26 -5.00 105.19 99.84 2jm3 n GLY 65 Ca 0.42 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 0.83 2.74 -0.02 0.00 -1.23 -4.96 105.19 102.54 2jm3 n GLY 66 Ca 0.00 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 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 0.19 -0.03 -0.36 1.61 2.12 -1.26 -4.95 118.70 116.01 2jm3 s GLU 67 Ca 0.00 0.46 -0.13 0.00 0.36 0.00 0.00 54.97 55.65 2jm3 s GLU 67 Cb 0.00 -0.41 -0.00 0.00 0.26 0.00 0.00 34.13 33.98 2jm3 s GLU 67 CO 0.00 -0.32 0.25 0.21 -0.54 0.00 0.00 175.26 174.86 2jm3 s LYS 68 N 2.21 3.27 0.00 4.30 2.20 -1.26 -4.87 119.74 125.59 2jm3 s LYS 68 Ca 0.04 -0.80 0.00 0.00 -0.36 0.00 0.00 55.97 54.85 2jm3 s LYS 68 Cb -0.12 -3.84 0.00 0.00 -1.51 0.00 0.00 37.83 32.36 2jm3 s LYS 68 CO -0.04 -0.56 0.00 1.63 -0.36 0.00 0.00 175.35 176.02 2jm3 n LYS 69 N 5.11 0.00 -3.69 4.03 5.02 -1.26 -5.03 118.16 122.34 2jm3 n LYS 69 Ca -0.12 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.87 2jm3 n LYS 69 Cb 0.49 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.37 2jm3 n LYS 69 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2jm3 s GLU 70 N 1.44 1.20 0.00 1.97 8.01 -1.26 -4.76 118.70 125.31 2jm3 s GLU 70 Ca 0.00 -1.92 0.00 0.00 0.01 0.00 0.00 54.97 53.06 2jm3 s GLU 70 Cb 0.00 -2.23 0.00 0.00 -4.31 0.00 0.00 34.13 27.59 2jm3 s GLU 70 CO 0.00 -1.16 0.00 0.41 0.01 0.00 0.00 175.26 174.52 2jm3 n GLY 71 N 3.63 1.20 3.62 -1.39 0.00 -1.26 -4.47 105.19 106.52 2jm3 n GLY 71 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.28 6.05 -0.12 1.61 1.11 -1.26 0.16 116.67 123.93 2jm3 s ASP 72 Ca 0.00 1.72 -0.10 0.00 0.18 0.00 0.00 52.55 54.36 2jm3 s ASP 72 Cb 0.00 -2.53 -0.05 0.00 1.07 0.00 0.00 42.92 41.42 2jm3 s ASP 72 CO 0.00 -1.51 0.20 -0.63 1.18 0.00 0.00 175.17 174.41 2jm3 s ILE 73 N 6.24 5.39 -0.22 0.77 1.01 0.59 -4.79 121.20 130.19 2jm3 s ILE 73 Ca 0.82 0.35 -0.29 0.00 0.00 0.00 0.00 60.65 61.54 2jm3 s ILE 73 Cb -0.28 -3.50 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 2jm3 s ILE 73 CO 0.33 0.55 1.52 -2.16 0.00 0.00 0.00 174.94 175.18 2jm3 s PRO 74 N -0.57 3.89 0.32 2.79 0.04 -1.26 -4.12 135.00 136.09 2jm3 s PRO 74 Ca 0.15 1.61 0.04 0.00 0.04 0.00 0.00 61.00 62.85 2jm3 s PRO 74 Cb -0.13 -3.97 -0.02 0.00 0.04 0.00 0.00 34.50 30.42 2jm3 s PRO 74 CO 0.04 -1.17 0.48 0.14 0.04 0.00 0.00 177.00 176.53 2jm3 s VAL 75 N 4.79 4.62 0.34 -0.36 -7.23 0.10 -4.47 120.40 118.19 2jm3 s VAL 75 Ca 0.67 -0.83 0.02 0.00 -1.81 0.00 0.00 61.98 60.03 2jm3 s VAL 75 Cb -0.23 -3.64 0.22 0.00 0.56 0.00 0.00 36.38 33.29 2jm3 s VAL 75 CO 0.27 -0.31 1.96 1.55 -0.31 0.00 0.00 175.10 178.26 2jm3 h PRO 76 N 0.89 0.75 -1.11 4.82 0.13 -1.86 -3.42 132.00 132.20 2jm3 h PRO 76 Ca -0.49 -0.08 0.14 0.00 -0.87 0.00 0.00 66.00 64.70 2jm3 h PRO 76 Cb 1.24 -0.15 -0.22 0.00 0.13 0.00 0.00 31.00 32.01 2jm3 h PRO 76 CO 0.58 0.57 -0.02 0.34 -0.23 0.00 0.00 178.00 179.24 2jm3 s ASP 77 N -6.56 -0.92 0.03 1.44 -1.08 -1.26 -4.89 116.67 103.43 2jm3 s ASP 77 Ca -0.09 0.91 0.11 0.00 -0.52 0.00 0.00 52.55 52.96 2jm3 s ASP 77 Cb 0.17 1.90 0.49 0.00 -1.46 0.00 0.00 42.92 44.02 2jm3 s ASP 77 CO 0.77 -0.17 1.36 -0.81 0.52 0.00 0.00 175.17 176.83 2jm3 n PRO 78 N 5.31 0.02 0.00 4.34 -0.04 -1.26 0.09 135.00 143.46 2jm3 n PRO 78 Ca -0.07 0.35 0.05 0.00 -0.04 0.00 0.00 63.50 63.78 2jm3 n PRO 78 Cb 0.51 -1.54 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.58 0.00 -0.06 0.52 -2.24 -1.26 -4.69 114.28 104.97 2jm3 n THR 79 Ca 0.02 -0.33 -0.13 0.00 -2.27 0.00 0.00 64.05 61.34 2jm3 n THR 79 Cb 0.12 1.06 -0.05 0.00 -2.10 0.00 0.00 70.33 69.36 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 -0.74 0.70 -2.94 2.28 0.31 -0.71 -5.06 118.33 112.18 2jm3 n VAL 80 Ca 0.03 -0.19 -0.11 0.00 -0.01 0.00 0.00 64.34 64.06 2jm3 n VAL 80 Cb 0.18 -1.55 0.04 0.00 -0.91 0.00 0.00 33.84 31.61 2jm3 n VAL 80 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2jm3 n ASP 81 N -3.45 1.08 -4.40 4.52 -0.08 0.11 -5.03 116.55 109.31 2jm3 n ASP 81 Ca -0.25 -1.80 -0.44 0.00 -1.51 0.00 0.00 54.79 50.79 2jm3 n ASP 81 Cb 0.69 -0.25 -0.08 0.00 2.34 0.00 0.00 41.12 43.82 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 -3.49 2.98 -0.01 -0.67 1.02 -1.26 -4.65 119.74 113.64 2jm3 s LYS 82 Ca 0.34 -1.27 -0.37 0.00 0.02 0.00 0.00 55.97 54.68 2jm3 s LYS 82 Cb -0.03 -4.09 -0.16 0.00 -0.52 0.00 0.00 37.83 33.03 2jm3 s LYS 82 CO 0.21 -0.96 1.52 0.94 -0.92 0.00 0.00 175.35 176.14 2jm3 n GLN 83 N 5.19 1.36 -4.04 1.68 0.00 -1.26 -4.95 117.38 115.36 2jm3 n GLN 83 Ca -0.12 0.49 -0.35 0.00 -0.00 0.00 0.00 57.00 57.02 2jm3 n GLN 83 Cb 0.44 -2.18 -0.09 0.00 0.00 0.00 0.00 30.24 28.41 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 1.61 4.83 -0.03 1.69 1.01 -1.26 -5.04 121.20 124.01 2jm3 s ILE 84 Ca 0.88 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 61.50 2jm3 s ILE 84 Cb -0.93 -3.14 0.03 0.00 0.01 0.00 0.00 42.46 38.42 2jm3 s ILE 84 CO 0.51 0.50 0.00 -0.54 0.00 0.00 0.00 174.94 175.42 2jm3 s LYS 85 N -0.02 0.34 0.15 2.79 -0.14 -1.26 -0.30 119.74 121.31 2jm3 s LYS 85 Ca 0.06 0.08 -0.30 0.00 -1.36 0.00 0.00 55.97 54.46 2jm3 s LYS 85 Cb -0.12 -0.55 -0.07 0.00 -1.68 0.00 0.00 37.83 35.41 2jm3 s LYS 85 CO 0.01 -0.16 0.99 0.42 -0.76 0.00 0.00 175.35 175.85 2jm3 s ILE 86 N 1.17 4.28 -0.68 2.17 1.01 0.12 -4.94 121.20 124.33 2jm3 s ILE 86 Ca -0.08 1.97 -0.27 0.00 0.00 0.00 0.00 60.65 62.27 2jm3 s ILE 86 Cb -0.13 -4.26 0.01 0.00 0.01 0.00 0.00 42.46 38.09 2jm3 s ILE 86 CO -0.02 0.34 1.44 -0.70 0.00 0.00 0.00 174.94 176.00 2jm3 s GLU 87 N -0.29 3.07 0.32 2.79 2.12 -1.26 -4.40 118.70 121.05 2jm3 s GLU 87 Ca 0.46 0.07 -0.24 0.00 0.36 0.00 0.00 54.97 55.63 2jm3 s GLU 87 Cb -0.25 -4.22 -0.10 0.00 0.26 0.00 0.00 34.13 29.82 2jm3 s GLU 87 CO 0.31 -2.26 0.91 -1.17 -0.54 0.00 0.00 175.26 172.50 2jm3 s LEU 88 N 6.62 4.29 -0.01 2.70 2.96 -1.26 -4.99 118.68 128.99 2jm3 s LEU 88 Ca 0.46 1.74 -0.37 0.00 -0.22 0.00 0.00 54.13 55.73 2jm3 s LEU 88 Cb -0.10 -4.00 -0.16 0.00 0.50 0.00 0.00 46.19 42.43 2jm3 s LEU 88 CO 0.18 -0.09 1.47 -0.81 -1.32 0.00 0.00 176.35 175.78 2jm3 n PRO 89 N 0.44 1.23 -1.59 0.98 -0.04 -1.26 -4.84 135.00 129.93 2jm3 n PRO 89 Ca 0.02 0.45 -0.51 0.00 -0.04 0.00 0.00 63.50 63.41 2jm3 n PRO 89 Cb 0.51 -2.11 -0.05 0.00 -0.04 0.00 0.00 33.50 31.80 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 3.39 1.15 0.00 0.54 -0.02 -1.26 -5.23 135.00 133.57 2jm3 n PRO 90 Ca 0.20 0.41 0.01 0.00 -2.02 0.00 0.00 63.50 62.11 2jm3 n PRO 90 Cb 0.18 -2.01 0.08 0.00 -0.02 0.00 0.00 33.50 31.73 2jm3 n PRO 90 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84