#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 0.00 -3.24 1.61 0.02 -2.08 -3.44 113.55 106.42 2jm3 h SER 2 Ca 0.00 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.37 2jm3 h SER 2 Cb 0.00 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.48 2jm3 h SER 2 CO 0.00 0.35 -0.10 -0.32 -1.14 0.00 0.00 176.83 175.62 2jm3 s MET 3 N -3.28 4.23 -0.87 3.45 -2.45 -1.26 -4.99 119.30 114.13 2jm3 s MET 3 Ca 0.03 0.57 -0.25 0.00 -1.25 0.00 0.00 55.69 54.78 2jm3 s MET 3 Cb 0.09 -3.34 -0.12 0.00 1.25 0.00 0.00 34.83 32.71 2jm3 s MET 3 CO 0.70 0.39 2.22 -2.14 1.05 0.00 0.00 175.02 177.23 2jm3 s PRO 4 N -0.19 1.89 -0.33 4.11 0.02 -1.26 -4.90 135.00 134.34 2jm3 s PRO 4 Ca 0.27 0.08 -0.28 0.00 0.02 0.00 0.00 61.00 61.10 2jm3 s PRO 4 Cb -0.17 -4.91 -0.03 0.00 0.02 0.00 0.00 34.50 29.41 2jm3 s PRO 4 CO 0.14 -4.21 1.98 0.99 -0.33 0.00 0.00 177.00 175.57 2jm3 s THR 5 N 13.40 3.29 -0.00 0.99 2.01 -1.26 -4.96 115.64 129.10 2jm3 s THR 5 Ca 0.83 0.28 0.06 0.00 0.31 0.00 0.00 61.69 63.17 2jm3 s THR 5 Cb -0.10 -3.43 -0.02 0.00 0.01 0.00 0.00 72.50 68.97 2jm3 s THR 5 CO 0.06 -0.30 -0.20 0.42 -0.69 0.00 0.00 174.62 173.92 2jm3 s THR 6 N 7.94 1.55 0.51 -0.82 -4.23 -1.26 -4.99 115.64 114.34 2jm3 s THR 6 Ca 0.86 -0.92 -0.20 0.00 -1.18 0.00 0.00 61.69 60.25 2jm3 s THR 6 Cb -0.24 -1.31 -0.07 0.00 1.34 0.00 0.00 72.50 72.22 2jm3 s THR 6 CO 0.32 0.37 1.10 0.00 -0.54 0.00 0.00 174.62 175.87 2jm3 n GLY 8 N 0.06 1.17 3.68 0.00 0.00 -0.78 -4.81 105.19 104.51 2jm3 n GLY 8 Ca 0.10 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.34 3.16 0.29 1.61 2.19 -1.26 -4.91 117.98 117.72 2jm3 s PHE 9 Ca 0.27 1.20 0.19 0.00 0.33 0.00 0.00 56.93 58.93 2jm3 s PHE 9 Cb 0.17 -3.43 0.91 0.00 -1.31 0.00 0.00 43.02 39.36 2jm3 s PHE 9 CO 0.24 -1.33 1.86 -1.00 1.83 0.00 0.00 175.22 176.81 2jm3 h PRO 10 N 7.52 0.00 -1.23 10.12 0.13 -1.93 -2.99 132.00 143.63 2jm3 h PRO 10 Ca -0.33 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.20 2jm3 h PRO 10 Cb 1.15 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.88 2jm3 h PRO 10 CO 0.89 0.30 -0.52 0.27 -0.23 0.00 0.00 178.00 178.71 2jm3 n ASN 11 N -3.73 5.22 -4.50 1.44 6.94 -1.26 -4.98 115.26 114.39 2jm3 n ASN 11 Ca -0.01 -3.75 -0.42 0.00 -0.02 0.00 0.00 54.58 50.38 2jm3 n ASN 11 Cb 0.40 -0.50 -0.03 0.00 -2.36 0.00 0.00 39.78 37.29 2jm3 n ASN 11 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jm3 n LYS 13 N 8.40 1.65 0.02 0.00 0.00 -1.26 -4.39 118.16 122.58 2jm3 n LYS 13 Ca -0.01 -0.97 -0.22 0.00 -0.00 0.00 0.00 58.31 57.11 2jm3 n LYS 13 Cb 0.47 -1.43 -0.14 0.00 -0.00 0.00 0.00 35.03 33.93 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 2.13 0.52 0.00 5.58 0.04 -1.91 -1.89 116.94 121.41 2jm3 h PHE 14 Ca 0.00 -0.38 0.00 0.00 2.80 0.00 0.00 57.97 60.39 2jm3 h PHE 14 Cb 0.46 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.59 2jm3 h PHE 14 CO 0.05 1.74 0.00 0.07 -0.60 0.00 0.00 178.31 179.58 2jm3 h ARG 15 N 0.02 0.00 -0.02 1.51 0.11 -1.92 0.16 114.38 114.24 2jm3 h ARG 15 Ca -0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.68 2jm3 h ARG 15 Cb 2.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.09 2jm3 h ARG 15 CO 0.10 0.00 -0.17 0.43 0.10 0.00 0.00 179.97 180.42 2jm3 n SER 16 N -2.71 1.99 0.11 0.08 7.64 -1.22 -4.06 113.62 115.45 2jm3 n SER 16 Ca 0.01 -1.53 -0.24 0.00 1.01 0.00 0.00 58.87 58.12 2jm3 n SER 16 Cb 0.24 0.15 -0.15 0.00 -1.01 0.00 0.00 64.21 63.44 2jm3 n SER 16 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2jm3 h ARG 17 N 2.86 0.46 -6.64 1.43 1.12 0.17 -3.45 114.38 110.33 2jm3 h ARG 17 Ca 0.00 -0.79 -0.51 0.00 -1.11 0.00 0.00 59.98 57.57 2jm3 h ARG 17 Cb 0.72 0.30 -0.02 0.00 -0.01 0.00 0.00 29.97 30.95 2jm3 h ARG 17 CO 0.00 1.38 0.35 0.71 -3.11 0.00 0.00 179.97 179.30 2jm3 s TYR 18 N -2.59 3.89 0.26 2.20 2.02 -1.02 -5.01 117.35 117.09 2jm3 s TYR 18 Ca -0.12 1.85 -0.30 0.00 -0.37 0.00 0.00 57.07 58.13 2jm3 s TYR 18 Cb 0.05 -3.02 -0.09 0.00 -0.40 0.00 0.00 41.96 38.50 2jm3 s TYR 18 CO 0.90 0.32 1.09 1.03 -1.57 0.00 0.00 175.55 177.32 2jm3 s ARG 19 N -0.51 4.65 0.00 -0.62 1.81 -1.26 -3.55 118.95 119.46 2jm3 s ARG 19 Ca 0.44 1.77 0.00 0.00 -1.72 0.00 0.00 55.73 56.22 2jm3 s ARG 19 Cb -0.24 -3.21 0.00 0.00 -0.45 0.00 0.00 34.95 31.04 2jm3 s ARG 19 CO 0.31 0.20 0.00 0.41 -0.68 0.00 0.00 175.30 175.54 2jm3 n GLY 20 N 1.40 2.77 3.47 -3.53 0.00 -1.26 -4.44 105.19 103.60 2jm3 n GLY 20 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.51 -0.26 0.99 4.77 -1.23 -4.89 117.00 112.87 2jm3 n LEU 21 Ca 0.00 -0.54 0.06 0.00 -0.03 0.00 0.00 56.01 55.50 2jm3 n LEU 21 Cb 0.00 -2.96 -0.00 0.00 -2.33 0.00 0.00 43.42 38.12 2jm3 n LEU 21 CO 0.00 0.57 0.22 1.21 -1.33 0.00 0.00 177.39 178.06 2jm3 n GLU 22 N -4.63 1.98 -3.84 3.23 2.13 -1.26 -5.03 120.64 113.23 2jm3 n GLU 22 Ca -0.06 -0.65 -0.29 0.00 0.66 0.00 0.00 57.16 56.81 2jm3 n GLU 22 Cb 0.58 -1.14 0.00 0.00 0.27 0.00 0.00 31.44 31.16 2jm3 n GLU 22 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2jm3 n ASP 23 N -0.24 -4.41 -1.63 4.31 8.00 -1.26 -4.78 116.55 116.55 2jm3 n ASP 23 Ca 0.05 -1.03 -0.01 0.00 0.71 0.00 0.00 54.79 54.51 2jm3 n ASP 23 Cb 0.25 -1.52 -0.02 0.00 -0.02 0.00 0.00 41.12 39.81 2jm3 n ASP 23 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2jm3 n ASN 24 N -2.38 4.61 -0.37 -2.24 0.23 -1.26 -4.75 115.26 109.10 2jm3 n ASN 24 Ca -0.26 -2.23 0.00 0.00 -0.53 0.00 0.00 54.58 51.56 2jm3 n ASN 24 Cb 0.64 -1.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.33 2jm3 n ASN 24 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2jm3 n ARG 25 N 1.68 2.95 -3.39 -3.83 1.74 -1.26 -5.07 116.66 109.48 2jm3 n ARG 25 Ca 0.04 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.68 2jm3 n ARG 25 Cb 0.47 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.85 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 1.44 3.29 -0.42 -1.55 3.76 -1.26 -5.03 115.29 115.52 2jm3 s HIS 26 Ca 0.00 -1.38 -0.29 0.00 -0.15 0.00 0.00 55.06 53.24 2jm3 s HIS 26 Cb 0.00 -3.60 0.02 0.00 1.11 0.00 0.00 32.58 30.12 2jm3 s HIS 26 CO 0.00 -0.97 1.17 -0.06 -0.85 0.00 0.00 174.74 174.03 2jm3 s PHE 27 N 1.54 2.82 0.14 1.40 0.08 -1.26 -3.18 117.98 119.52 2jm3 s PHE 27 Ca 0.04 0.82 -0.30 0.00 0.12 0.00 0.00 56.93 57.61 2jm3 s PHE 27 Cb -0.28 -4.22 -0.07 0.00 -0.57 0.00 0.00 43.02 37.88 2jm3 s PHE 27 CO 0.03 -1.29 1.01 0.71 -0.10 0.00 0.00 175.22 175.57 2jm3 s TYR 28 N 4.40 3.75 -0.02 0.36 2.02 0.12 -4.81 117.35 123.17 2jm3 s TYR 28 Ca 0.50 1.73 -0.22 0.00 -0.37 0.00 0.00 57.07 58.71 2jm3 s TYR 28 Cb -0.10 -3.13 -0.05 0.00 -0.40 0.00 0.00 41.96 38.29 2jm3 s TYR 28 CO 0.28 -0.06 0.67 1.03 -1.57 0.00 0.00 175.55 175.89 2jm3 s ARG 29 N -0.16 4.40 -0.22 -0.62 3.00 -1.26 -2.00 118.95 122.09 2jm3 s ARG 29 Ca 0.48 0.85 -0.28 0.00 0.00 0.00 0.00 55.73 56.77 2jm3 s ARG 29 Cb -0.25 -3.39 -0.05 0.00 0.00 0.00 0.00 34.95 31.26 2jm3 s ARG 29 CO 0.31 0.24 2.10 0.42 0.00 0.00 0.00 175.30 178.37 2jm3 s ILE 30 N 0.21 3.12 0.23 1.52 1.09 -1.26 -4.91 121.20 121.20 2jm3 s ILE 30 Ca 0.35 0.13 -0.31 0.00 -1.10 0.00 0.00 60.65 59.71 2jm3 s ILE 30 Cb -0.18 -3.15 -0.11 0.00 -1.06 0.00 0.00 42.46 37.95 2jm3 s ILE 30 CO 0.19 -0.09 1.65 -2.84 -0.10 0.00 0.00 174.94 173.74 2jm3 s PRO 31 N 6.03 4.14 -0.08 2.79 0.02 -1.26 -4.90 135.00 141.74 2jm3 s PRO 31 Ca 0.95 2.55 0.17 0.00 0.02 0.00 0.00 61.00 64.68 2jm3 s PRO 31 Cb -0.31 -3.07 0.58 0.00 0.02 0.00 0.00 34.50 31.71 2jm3 s PRO 31 CO 0.35 -0.68 1.49 1.17 -0.33 0.00 0.00 177.00 179.00 2jm3 n LYS 32 N 3.38 3.26 -3.63 5.54 4.81 -1.26 -3.89 118.16 126.37 2jm3 n LYS 32 Ca 0.13 -2.64 -0.28 0.00 -0.87 0.00 0.00 58.31 54.65 2jm3 n LYS 32 Cb 0.37 -1.68 -0.16 0.00 0.02 0.00 0.00 35.03 33.57 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 -1.66 0.31 0.82 1.64 1.81 -1.26 -3.50 118.95 117.11 2jm3 s ARG 33 Ca 0.42 -0.42 -0.09 0.00 -1.72 0.00 0.00 55.73 53.92 2jm3 s ARG 33 Cb 0.27 -1.70 0.14 0.00 -0.45 0.00 0.00 34.95 33.20 2jm3 s ARG 33 CO 0.21 -0.81 1.15 -1.25 -0.68 0.00 0.00 175.30 173.91 2jm3 s PRO 34 N 2.00 1.39 0.31 3.54 0.04 -1.26 -4.93 135.00 136.09 2jm3 s PRO 34 Ca 0.04 -0.55 0.03 0.00 0.04 0.00 0.00 61.00 60.56 2jm3 s PRO 34 Cb -0.16 -2.07 0.51 0.00 0.04 0.00 0.00 34.50 32.82 2jm3 s PRO 34 CO -0.20 -1.81 1.82 1.25 0.04 0.00 0.00 177.00 178.11 2jm3 h LEU 35 N -1.04 0.55 -1.28 -3.56 7.12 -1.89 -2.12 115.31 113.08 2jm3 h LEU 35 Ca -0.42 -0.12 -0.02 0.00 0.13 0.00 0.00 57.88 57.45 2jm3 h LEU 35 Cb 1.27 -0.14 -0.03 0.00 -0.53 0.00 0.00 40.66 41.23 2jm3 h LEU 35 CO 0.46 0.65 0.27 0.40 -0.13 0.00 0.00 178.44 180.08 2jm3 h ILE 36 N 0.54 1.18 -0.52 4.05 1.08 -1.96 0.23 117.51 122.11 2jm3 h ILE 36 Ca 0.11 -0.49 -0.12 0.00 -0.39 0.00 0.00 64.86 63.97 2jm3 h ILE 36 Cb 0.41 0.47 -0.02 0.00 -3.07 0.00 0.00 36.82 34.62 2jm3 h ILE 36 CO 0.02 0.21 -0.13 0.25 -0.69 0.00 0.00 178.15 177.80 2jm3 h LEU 37 N 0.76 1.02 -0.68 1.44 5.85 -1.76 -1.16 115.31 120.79 2jm3 h LEU 37 Ca 0.19 -0.36 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 2jm3 h LEU 37 Cb 0.07 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 2jm3 h LEU 37 CO -0.03 1.15 0.28 -0.09 -0.34 0.00 0.00 178.44 179.40 2jm3 h ARG 38 N 0.88 1.02 -0.31 1.25 2.43 -0.87 0.14 114.38 118.92 2jm3 h ARG 38 Ca 0.13 -0.18 0.05 0.00 -0.81 0.00 0.00 59.98 59.17 2jm3 h ARG 38 Cb 0.70 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 30.04 2jm3 h ARG 38 CO 0.05 0.84 0.00 0.37 -1.51 0.00 0.00 179.97 179.73 2jm3 h GLN 39 N 0.97 0.09 -0.07 0.20 4.15 -0.22 -0.56 115.11 119.66 2jm3 h GLN 39 Ca 0.23 -0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.53 2jm3 h GLN 39 Cb 0.20 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 2jm3 h GLN 39 CO -0.02 0.06 -0.46 0.00 -1.93 0.00 0.00 178.83 176.48 2jm3 h ARG 40 N 0.09 0.18 -0.53 1.69 2.47 -0.95 -2.66 114.38 114.67 2jm3 h ARG 40 Ca 0.15 -0.09 -0.00 0.00 -1.26 0.00 0.00 59.98 58.77 2jm3 h ARG 40 Cb 0.19 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.49 2jm3 h ARG 40 CO -0.24 0.61 0.32 -1.49 0.56 0.00 0.00 179.97 179.72 2jm3 h TRP 41 N 0.15 0.70 0.00 3.04 4.06 0.03 -2.25 115.95 121.68 2jm3 h TRP 41 Ca 0.01 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.96 2jm3 h TRP 41 Cb 0.87 -0.23 0.00 0.00 -1.00 0.00 0.00 29.16 28.80 2jm3 h TRP 41 CO 0.01 0.48 0.00 -0.07 -3.56 0.00 0.00 178.44 175.31 2jm3 h LEU 42 N 0.72 0.00 -0.62 -4.49 3.38 -0.91 -3.26 115.31 110.13 2jm3 h LEU 42 Ca 0.19 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.22 2jm3 h LEU 42 Cb -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 2jm3 h LEU 42 CO -0.04 0.00 0.32 0.74 0.09 0.00 0.00 178.44 179.56 2jm3 h THR 43 N 0.00 0.94 0.00 0.22 2.02 -1.06 0.31 112.91 115.34 2jm3 h THR 43 Ca 0.00 -0.21 -0.20 0.00 0.77 0.00 0.00 66.41 66.77 2jm3 h THR 43 Cb 0.53 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 2jm3 h THR 43 CO 0.00 0.11 -0.89 0.00 0.37 0.00 0.00 175.52 175.11 2jm3 h ALA 44 N 1.34 0.49 0.00 6.16 0.00 -1.68 -3.05 119.26 122.52 2jm3 h ALA 44 Ca 0.28 -0.72 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 2jm3 h ALA 44 Cb 0.20 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2jm3 h ALA 44 CO -0.19 0.89 -0.12 -0.84 0.00 0.00 0.00 179.25 178.99 2jm3 h ILE 45 N 0.14 0.21 -0.61 0.00 3.07 -1.65 -3.46 117.51 115.21 2jm3 h ILE 45 Ca -0.05 -1.25 -0.19 0.00 1.55 0.00 0.00 64.86 64.92 2jm3 h ILE 45 Cb 1.52 2.06 -0.07 0.00 -0.27 0.00 0.00 36.82 40.06 2jm3 h ILE 45 CO 0.14 0.12 -0.19 0.61 -1.05 0.00 0.00 178.15 177.78 2jm3 n GLY 46 N 1.03 0.93 4.00 0.16 0.00 0.07 -4.70 105.19 106.68 2jm3 n GLY 46 Ca 0.03 -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 0.50 0.00 0.00 0.00 173.32 173.82 2jm3 s ARG 47 N -3.09 2.83 0.31 1.61 0.52 -1.15 -5.06 118.95 114.92 2jm3 s ARG 47 Ca 0.00 -1.24 0.01 0.00 -0.52 0.00 0.00 55.73 53.98 2jm3 s ARG 47 Cb 0.00 -2.75 0.01 0.00 0.52 0.00 0.00 34.95 32.73 2jm3 s ARG 47 CO 0.00 -0.26 0.11 2.41 0.02 0.00 0.00 175.30 177.58 2jm3 n THR 48 N -1.83 0.00 0.15 0.02 -1.04 -1.26 -4.75 114.28 105.56 2jm3 n THR 48 Ca 0.08 -1.37 -0.00 0.00 -2.04 0.00 0.00 64.05 60.71 2jm3 n THR 48 Cb 0.59 0.06 0.22 0.00 -1.82 0.00 0.00 70.33 69.38 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 -0.01 -2.82 5.08 -2.01 -2.35 114.58 112.47 2jm3 h GLU 49 Ca -0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2jm3 h GLU 49 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2jm3 h GLU 49 CO 0.38 0.55 -0.18 0.39 -1.00 0.00 0.00 179.01 179.14 2jm3 n GLU 50 N -3.87 0.95 -0.30 2.33 4.71 -1.26 -3.44 120.64 119.76 2jm3 n GLU 50 Ca -0.01 -0.52 0.07 0.00 -0.01 0.00 0.00 57.16 56.69 2jm3 n GLU 50 Cb 0.56 -1.49 0.21 0.00 -1.01 0.00 0.00 31.44 29.71 2jm3 n GLU 50 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 2jm3 n THR 51 N -0.57 1.47 -4.09 2.62 -2.24 -0.90 -4.99 114.28 105.58 2jm3 n THR 51 Ca 0.14 -1.30 -0.12 0.00 -2.27 0.00 0.00 64.05 60.51 2jm3 n THR 51 Cb 0.33 0.23 -0.07 0.00 -2.10 0.00 0.00 70.33 68.73 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 -1.65 0.00 0.00 2.28 0.11 -1.12 -4.77 120.40 115.25 2jm3 s VAL 52 Ca 0.32 -1.66 0.00 0.00 -2.93 0.00 0.00 61.98 57.71 2jm3 s VAL 52 Cb 0.21 -2.40 0.00 0.00 -1.53 0.00 0.00 36.38 32.66 2jm3 s VAL 52 CO 0.14 0.00 0.00 0.52 -3.33 0.00 0.00 175.10 172.43 2jm3 n VAL 53 N -0.39 0.00 0.00 2.04 0.31 -1.26 -4.80 118.33 114.23 2jm3 n VAL 53 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2jm3 n VAL 53 Cb 0.63 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.56 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 2.90 0.00 -0.15 4.52 3.41 -1.26 -4.23 113.62 118.80 2jm3 n SER 54 Ca 0.00 0.38 0.02 0.00 -0.26 0.00 0.00 58.87 59.01 2jm3 n SER 54 Cb 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 63.99 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 -0.54 2.93 -3.09 4.33 10.64 -1.26 -5.03 117.38 125.36 2jm3 n GLN 55 Ca 0.00 -1.66 -0.39 0.00 -1.83 0.00 0.00 57.00 53.12 2jm3 n GLN 55 Cb 0.00 -1.08 -0.06 0.00 -0.86 0.00 0.00 30.24 28.24 2jm3 n GLN 55 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 2jm3 s LEU 56 N -1.06 4.57 0.21 2.61 2.96 -1.26 -4.23 118.68 122.48 2jm3 s LEU 56 Ca 0.06 1.50 0.01 0.00 -0.22 0.00 0.00 54.13 55.49 2jm3 s LEU 56 Cb 0.04 -3.15 -0.05 0.00 0.50 0.00 0.00 46.19 43.53 2jm3 s LEU 56 CO 0.04 0.23 0.07 -0.13 -1.32 0.00 0.00 176.35 175.24 2jm3 s ARG 57 N -1.15 1.24 -0.03 1.98 1.81 -0.49 -4.48 118.95 117.84 2jm3 s ARG 57 Ca 0.33 -1.64 0.03 0.00 -1.72 0.00 0.00 55.73 52.73 2jm3 s ARG 57 Cb -0.22 -0.15 0.00 0.00 -0.45 0.00 0.00 34.95 34.14 2jm3 s ARG 57 CO 0.24 -0.25 -0.11 0.42 -0.68 0.00 0.00 175.30 174.92 2jm3 s ILE 58 N -3.80 0.91 0.60 1.52 -1.09 -0.85 -1.86 121.20 116.63 2jm3 s ILE 58 Ca 0.32 -0.43 -0.19 0.00 -2.23 0.00 0.00 60.65 58.13 2jm3 s ILE 58 Cb 0.07 -0.80 -0.03 0.00 -1.58 0.00 0.00 42.46 40.12 2jm3 s ILE 58 CO 0.09 0.28 1.24 0.00 -1.23 0.00 0.00 174.94 175.32 2jm3 n SER 60 N -1.63 0.27 0.00 0.00 3.41 -1.19 -2.70 113.62 111.77 2jm3 n SER 60 Ca 0.14 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.42 2jm3 n SER 60 Cb 0.49 -0.61 0.60 0.00 -0.26 0.00 0.00 64.21 64.43 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 -1.60 2.25 0.57 7.33 0.00 -1.26 -2.87 120.51 124.93 2jm3 n ALA 61 Ca 0.05 -0.10 0.03 0.00 0.00 0.00 0.00 53.44 53.42 2jm3 n ALA 61 Cb 0.28 -1.42 0.15 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 -1.41 0.65 -4.19 0.00 -0.00 -1.10 -4.62 115.22 104.56 2jm3 n HIS 62 Ca 0.09 -0.25 -0.17 0.00 -0.00 0.00 0.00 57.72 57.39 2jm3 n HIS 62 Cb 0.26 -0.16 -0.11 0.00 -0.00 0.00 0.00 29.99 29.97 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 -1.66 1.21 -0.61 4.41 0.40 -1.14 0.19 117.98 120.79 2jm3 s PHE 63 Ca 0.20 -0.54 -0.26 0.00 -0.60 0.00 0.00 56.93 55.73 2jm3 s PHE 63 Cb 0.14 -0.66 -0.03 0.00 0.51 0.00 0.00 43.02 42.98 2jm3 s PHE 63 CO 0.09 0.06 1.92 -2.00 0.70 0.00 0.00 175.22 176.00 2jm3 s GLU 64 N -2.30 2.56 0.00 0.44 2.12 -1.26 -1.89 118.70 118.37 2jm3 s GLU 64 Ca 0.03 0.65 0.00 0.00 0.36 0.00 0.00 54.97 56.01 2jm3 s GLU 64 Cb -0.07 -4.44 0.00 0.00 0.26 0.00 0.00 34.13 29.88 2jm3 s GLU 64 CO 0.02 -2.83 0.00 0.41 -0.54 0.00 0.00 175.26 172.32 2jm3 n GLY 65 N 5.79 1.63 1.96 -1.50 0.00 -1.26 -4.19 105.19 107.62 2jm3 n GLY 65 Ca 0.23 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.00 0.14 2.55 -0.02 0.00 -0.79 -5.05 105.19 100.02 2jm3 n GLY 66 Ca 0.00 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 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 -4.28 0.20 -1.14 1.61 2.56 -1.26 -4.97 118.70 111.42 2jm3 s GLU 67 Ca 0.04 -0.54 -0.21 0.00 0.00 0.00 0.00 54.97 54.26 2jm3 s GLU 67 Cb -0.01 -1.20 0.04 0.00 2.00 0.00 0.00 34.13 34.96 2jm3 s GLU 67 CO 0.27 -1.01 1.64 0.21 -0.56 0.00 0.00 175.26 175.82 2jm3 s LYS 68 N 2.09 3.59 0.31 4.30 2.20 -1.26 -4.35 119.74 126.61 2jm3 s LYS 68 Ca 0.09 -1.42 0.00 0.00 -0.36 0.00 0.00 55.97 54.28 2jm3 s LYS 68 Cb -0.16 -5.40 0.00 0.00 -1.51 0.00 0.00 37.83 30.76 2jm3 s LYS 68 CO -0.36 -2.46 0.00 1.17 -0.36 0.00 0.00 175.35 173.34 2jm3 n LYS 69 N 8.64 0.00 -1.25 4.03 4.81 -1.26 -4.94 118.16 128.19 2jm3 n LYS 69 Ca 0.41 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.65 2jm3 n LYS 69 Cb 0.48 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.44 2jm3 n LYS 69 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2jm3 n GLU 70 N -3.41 2.18 -2.07 1.64 -0.58 -1.26 -4.63 120.64 112.50 2jm3 n GLU 70 Ca 0.00 -1.75 -0.13 0.00 -0.42 0.00 0.00 57.16 54.85 2jm3 n GLU 70 Cb 0.00 -2.02 -0.02 0.00 -0.57 0.00 0.00 31.44 28.83 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 1.43 0.15 3.72 0.62 0.00 -1.26 -4.55 105.19 105.31 2jm3 n GLY 71 Ca 0.44 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.49 7.01 -0.04 1.61 1.01 -1.26 -0.41 116.67 122.09 2jm3 s ASP 72 Ca 0.00 2.19 -0.02 0.00 0.71 0.00 0.00 52.55 55.43 2jm3 s ASP 72 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 2jm3 s ASP 72 CO 0.00 -0.48 0.07 -0.63 0.21 0.00 0.00 175.17 174.34 2jm3 s ILE 73 N 0.61 4.71 -0.39 0.77 1.01 0.03 -4.83 121.20 123.10 2jm3 s ILE 73 Ca 0.58 -0.28 -0.28 0.00 0.00 0.00 0.00 60.65 60.67 2jm3 s ILE 73 Cb -0.33 -3.09 -0.02 0.00 0.01 0.00 0.00 42.46 39.04 2jm3 s ILE 73 CO 0.33 0.46 1.78 -2.16 0.00 0.00 0.00 174.94 175.35 2jm3 s PRO 74 N -1.39 3.21 0.34 2.79 0.04 -1.26 -4.45 135.00 134.27 2jm3 s PRO 74 Ca 0.19 1.22 0.03 0.00 0.04 0.00 0.00 61.00 62.48 2jm3 s PRO 74 Cb -0.12 -4.22 -0.02 0.00 0.04 0.00 0.00 34.50 30.18 2jm3 s PRO 74 CO 0.09 -2.02 0.51 0.14 0.04 0.00 0.00 177.00 175.77 2jm3 s VAL 75 N 7.24 4.71 0.26 -0.36 -7.23 0.13 -4.59 120.40 120.56 2jm3 s VAL 75 Ca 0.76 -0.71 -0.04 0.00 -1.81 0.00 0.00 61.98 60.18 2jm3 s VAL 75 Cb -0.20 -3.69 0.19 0.00 0.56 0.00 0.00 36.38 33.25 2jm3 s VAL 75 CO 0.31 -0.38 1.86 1.55 -0.31 0.00 0.00 175.10 178.13 2jm3 h PRO 76 N 0.81 1.09 -1.14 4.82 0.13 -1.89 -3.41 132.00 132.41 2jm3 h PRO 76 Ca -0.49 -0.15 0.16 0.00 -0.87 0.00 0.00 66.00 64.65 2jm3 h PRO 76 Cb 1.24 -0.20 -0.23 0.00 0.13 0.00 0.00 31.00 31.93 2jm3 h PRO 76 CO 0.59 0.84 0.16 0.34 -0.23 0.00 0.00 178.00 179.70 2jm3 s ASP 77 N -6.38 -0.67 0.00 1.44 -1.08 -1.26 -4.71 116.67 104.01 2jm3 s ASP 77 Ca -0.12 0.90 0.11 0.00 -0.52 0.00 0.00 52.55 52.92 2jm3 s ASP 77 Cb 0.16 1.76 0.59 0.00 -1.46 0.00 0.00 42.92 43.96 2jm3 s ASP 77 CO 0.82 -0.13 1.16 -2.65 0.52 0.00 0.00 175.17 174.89 2jm3 n PRO 78 N 5.06 0.24 -0.01 4.34 -0.02 -1.26 -1.48 135.00 141.87 2jm3 n PRO 78 Ca -0.09 0.10 0.05 0.00 -2.02 0.00 0.00 63.50 61.54 2jm3 n PRO 78 Cb 0.52 -1.50 0.05 0.00 -0.02 0.00 0.00 33.50 32.55 2jm3 n PRO 78 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2jm3 n THR 79 N -1.15 0.09 0.00 3.45 -2.24 -1.26 -4.68 114.28 108.48 2jm3 n THR 79 Ca 0.06 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 2jm3 n THR 79 Cb 0.06 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 2jm3 n THR 79 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2jm3 n VAL 80 N 0.54 0.00 -3.54 2.28 0.24 -0.72 -5.08 118.33 112.05 2jm3 n VAL 80 Ca 0.06 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.11 2jm3 n VAL 80 Cb 0.26 -1.04 -0.02 0.00 -1.47 0.00 0.00 33.84 31.57 2jm3 n VAL 80 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2jm3 s ASP 81 N -4.60 6.35 -0.73 -1.34 2.15 -0.55 -5.01 116.67 112.94 2jm3 s ASP 81 Ca 0.00 0.44 -0.26 0.00 0.43 0.00 0.00 52.55 53.15 2jm3 s ASP 81 Cb 0.00 -2.02 0.01 0.00 -0.30 0.00 0.00 42.92 40.60 2jm3 s ASP 81 CO 0.00 -0.17 1.55 -0.75 -0.17 0.00 0.00 175.17 175.63 2jm3 s LYS 82 N -3.83 2.98 -0.46 4.34 2.20 -1.26 -4.61 119.74 119.10 2jm3 s LYS 82 Ca 0.39 -0.03 -0.42 0.00 -0.36 0.00 0.00 55.97 55.56 2jm3 s LYS 82 Cb -0.10 -4.44 -0.18 0.00 -1.51 0.00 0.00 37.83 31.60 2jm3 s LYS 82 CO 0.32 -2.46 1.76 0.94 -0.36 0.00 0.00 175.35 175.55 2jm3 n GLN 83 N 9.23 0.00 -2.96 4.03 -0.06 -1.26 -4.89 117.38 121.46 2jm3 n GLN 83 Ca 0.15 0.00 -0.40 0.00 -2.00 0.00 0.00 57.00 54.75 2jm3 n GLN 83 Cb 0.50 -1.38 -0.05 0.00 -4.06 0.00 0.00 30.24 25.25 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 4.33 4.81 -0.00 1.69 1.01 -1.26 -5.01 121.20 126.76 2jm3 s ILE 84 Ca 1.05 1.64 0.00 0.00 0.00 0.00 0.00 60.65 63.34 2jm3 s ILE 84 Cb -1.38 -4.12 0.01 0.00 0.01 0.00 0.00 42.46 36.97 2jm3 s ILE 84 CO 0.67 0.32 0.00 -0.54 0.00 0.00 0.00 174.94 175.39 2jm3 s LYS 85 N 0.25 0.04 0.13 2.79 1.02 -1.26 -0.79 119.74 121.92 2jm3 s LYS 85 Ca 0.40 0.02 0.09 0.00 0.02 0.00 0.00 55.97 56.49 2jm3 s LYS 85 Cb -0.20 -0.09 -0.04 0.00 -0.52 0.00 0.00 37.83 36.98 2jm3 s LYS 85 CO 0.23 -0.02 -0.16 0.42 -0.92 0.00 0.00 175.35 174.89 2jm3 s ILE 86 N 0.19 2.93 -0.58 2.17 1.09 0.45 -4.99 121.20 122.46 2jm3 s ILE 86 Ca -0.02 -1.55 -0.18 0.00 -1.10 0.00 0.00 60.65 57.80 2jm3 s ILE 86 Cb -0.03 -2.37 0.11 0.00 -1.06 0.00 0.00 42.46 39.11 2jm3 s ILE 86 CO -0.01 0.04 0.64 -1.61 -0.10 0.00 0.00 174.94 173.91 2jm3 s GLU 87 N -2.33 3.03 0.54 2.79 2.02 -1.26 -4.00 118.70 119.50 2jm3 s GLU 87 Ca 0.20 -1.45 0.03 0.00 0.02 0.00 0.00 54.97 53.78 2jm3 s GLU 87 Cb -0.10 -4.28 0.05 0.00 0.10 0.00 0.00 34.13 29.90 2jm3 s GLU 87 CO 0.11 -1.48 0.76 -0.48 0.02 0.00 0.00 175.26 174.20 2jm3 s LEU 88 N 2.34 3.31 0.16 1.80 2.34 -1.26 -5.04 118.68 122.33 2jm3 s LEU 88 Ca 0.09 -0.24 -0.32 0.00 0.06 0.00 0.00 54.13 53.72 2jm3 s LEU 88 Cb -0.26 -2.57 -0.17 0.00 -0.56 0.00 0.00 46.19 42.63 2jm3 s LEU 88 CO 0.05 -1.17 0.90 -2.65 -1.06 0.00 0.00 176.35 172.42 2jm3 n PRO 89 N -2.28 0.55 -0.29 1.48 -0.02 -1.26 -4.81 135.00 128.36 2jm3 n PRO 89 Ca 0.10 0.19 0.02 0.00 -2.02 0.00 0.00 63.50 61.79 2jm3 n PRO 89 Cb 0.60 -1.50 0.08 0.00 -0.02 0.00 0.00 33.50 32.66 2jm3 n PRO 89 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2jm3 n PRO 90 N 1.30 -0.12 0.00 0.52 -0.02 -1.26 -5.07 135.00 130.35 2jm3 n PRO 90 Ca 0.16 1.23 0.00 0.00 -2.02 0.00 0.00 63.50 62.87 2jm3 n PRO 90 Cb 0.22 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 2jm3 n PRO 90 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65