#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jm3 n SER 2 N 0.00 4.18 -4.67 1.61 7.64 -1.26 -4.94 113.62 116.18 2jm3 n SER 2 Ca 0.00 -2.85 -0.42 0.00 1.01 0.00 0.00 58.87 56.61 2jm3 n SER 2 Cb 0.00 -1.67 -0.03 0.00 -1.01 0.00 0.00 64.21 61.51 2jm3 n SER 2 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2jm3 s MET 3 N 4.26 4.25 0.59 1.43 -2.45 -1.26 -4.99 119.30 121.13 2jm3 s MET 3 Ca 0.54 1.88 -0.19 0.00 -1.25 0.00 0.00 55.69 56.67 2jm3 s MET 3 Cb 0.07 -3.74 -0.04 0.00 1.25 0.00 0.00 34.83 32.38 2jm3 s MET 3 CO 0.04 -0.68 1.19 -1.25 1.05 0.00 0.00 175.02 175.37 2jm3 s PRO 4 N 3.18 3.00 -0.90 4.11 0.04 -1.26 -4.04 135.00 139.13 2jm3 s PRO 4 Ca 0.62 1.77 -0.05 0.00 0.04 0.00 0.00 61.00 63.39 2jm3 s PRO 4 Cb -0.28 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 2jm3 s PRO 4 CO 0.22 -1.17 0.79 2.41 0.04 0.00 0.00 177.00 179.29 2jm3 n THR 5 N -1.62 -8.48 -4.05 1.26 -1.04 -1.26 -5.03 114.28 94.07 2jm3 n THR 5 Ca 0.13 -1.07 -0.30 0.00 -2.04 0.00 0.00 64.05 60.77 2jm3 n THR 5 Cb 0.50 -6.23 -0.06 0.00 -1.82 0.00 0.00 70.33 62.72 2jm3 n THR 5 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2jm3 s THR 6 N -3.30 4.55 0.45 12.58 -4.23 -1.26 -5.03 115.64 119.41 2jm3 s THR 6 Ca 0.35 -0.77 -0.23 0.00 -1.18 0.00 0.00 61.69 59.86 2jm3 s THR 6 Cb -0.05 -3.20 -0.08 0.00 1.34 0.00 0.00 72.50 70.52 2jm3 s THR 6 CO 0.66 0.11 1.13 0.00 -0.54 0.00 0.00 174.62 175.98 2jm3 n GLY 8 N 0.36 2.01 3.75 0.00 0.00 -0.61 -4.82 105.19 105.88 2jm3 n GLY 8 Ca 0.07 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.08 3.24 0.23 1.61 5.36 -1.26 -4.92 117.98 121.16 2jm3 s PHE 9 Ca 0.29 1.35 0.25 0.00 -0.96 0.00 0.00 56.93 57.86 2jm3 s PHE 9 Cb 0.16 -3.58 1.10 0.00 -0.34 0.00 0.00 43.02 40.35 2jm3 s PHE 9 CO 0.22 -1.69 1.91 -1.00 -1.46 0.00 0.00 175.22 173.19 2jm3 h PRO 10 N 4.53 0.00 -1.31 10.12 0.13 -1.86 -3.32 132.00 140.28 2jm3 h PRO 10 Ca -0.46 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.27 2jm3 h PRO 10 Cb 1.22 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.95 2jm3 h PRO 10 CO 0.72 0.20 -1.19 0.27 -0.23 0.00 0.00 178.00 177.77 2jm3 n ASN 11 N -3.47 1.31 -4.56 1.44 0.23 -1.26 -5.01 115.26 103.93 2jm3 n ASN 11 Ca -0.01 -2.82 -0.33 0.00 -0.53 0.00 0.00 54.58 50.89 2jm3 n ASN 11 Cb 0.37 -0.56 -0.04 0.00 -2.08 0.00 0.00 39.78 37.47 2jm3 n ASN 11 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jm3 n LYS 13 N 8.75 1.11 0.10 0.00 0.00 -1.26 -3.39 118.16 123.47 2jm3 n LYS 13 Ca 0.39 -0.19 -0.06 0.00 -0.00 0.00 0.00 58.31 58.46 2jm3 n LYS 13 Cb 0.48 -1.50 0.04 0.00 -0.00 0.00 0.00 35.03 34.06 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 0.46 0.17 0.00 5.58 -1.00 -1.91 -3.04 116.94 117.19 2jm3 h PHE 14 Ca 0.00 -0.09 -0.11 0.00 2.81 0.00 0.00 57.97 60.58 2jm3 h PHE 14 Cb 0.11 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.63 2jm3 h PHE 14 CO 0.00 0.85 -0.52 0.00 -1.61 0.00 0.00 178.31 177.03 2jm3 h ARG 15 N 0.07 0.00 0.00 1.51 3.08 -1.92 -2.06 114.38 115.07 2jm3 h ARG 15 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2jm3 h ARG 15 Cb 1.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.43 2jm3 h ARG 15 CO 0.11 0.52 0.00 0.77 -1.07 0.00 0.00 179.97 180.31 2jm3 h SER 16 N 0.00 0.00 0.59 7.04 0.02 -1.72 -2.75 113.55 116.73 2jm3 h SER 16 Ca -0.01 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.67 2jm3 h SER 16 Cb 0.94 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.44 2jm3 h SER 16 CO 0.07 0.00 -1.50 -0.09 -1.14 0.00 0.00 176.83 174.16 2jm3 h ARG 17 N 0.00 0.07 0.00 3.45 2.43 -1.33 -3.47 114.38 115.53 2jm3 h ARG 17 Ca 0.00 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2jm3 h ARG 17 Cb 0.64 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 2jm3 h ARG 17 CO 0.00 0.81 0.00 0.66 -1.51 0.00 0.00 179.97 179.93 2jm3 n TYR 18 N -3.24 0.00 -0.52 2.20 4.02 -0.86 -5.02 117.16 113.74 2jm3 n TYR 18 Ca -0.13 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.81 2jm3 n TYR 18 Cb 1.02 0.00 0.11 0.00 -0.02 0.00 0.00 39.34 40.45 2jm3 n TYR 18 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2jm3 n ARG 19 N 0.00 2.41 0.00 -0.72 5.12 -1.24 -4.94 116.66 117.29 2jm3 n ARG 19 Ca 0.00 -2.13 0.00 0.00 -1.93 0.00 0.00 57.85 53.79 2jm3 n ARG 19 Cb 0.00 -1.32 0.00 0.00 -1.16 0.00 0.00 32.46 29.98 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 -0.65 1.49 0.01 -0.13 0.00 -1.19 -4.28 105.19 100.42 2jm3 n GLY 20 Ca 0.10 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.24 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 0.14 -0.94 0.99 -0.00 -1.26 -3.42 117.00 112.51 2jm3 n LEU 21 Ca 0.00 0.42 0.08 0.00 -0.00 0.00 0.00 56.01 56.51 2jm3 n LEU 21 Cb 0.00 -0.44 0.23 0.00 -0.00 0.00 0.00 43.42 43.20 2jm3 n LEU 21 CO 0.00 0.01 0.69 1.21 -0.00 0.00 0.00 177.39 179.30 2jm3 n GLU 22 N -1.55 2.87 0.32 1.47 2.13 -1.26 -4.51 120.64 120.11 2jm3 n GLU 22 Ca 0.07 -2.33 0.21 0.00 0.66 0.00 0.00 57.16 55.77 2jm3 n GLU 22 Cb 0.35 -1.42 1.04 0.00 0.27 0.00 0.00 31.44 31.67 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 2.90 0.00 -7.05 4.31 5.19 -1.91 -3.45 116.42 116.41 2jm3 h ASP 23 Ca 0.00 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 55.81 2jm3 h ASP 23 Cb 0.88 0.00 -0.31 0.00 0.18 0.00 0.00 39.33 40.08 2jm3 h ASP 23 CO 0.02 0.00 -0.90 -3.20 -3.12 0.00 0.00 179.24 172.04 2jm3 n ASN 24 N -3.09 -1.85 -4.93 6.45 5.15 -1.26 -4.92 115.26 110.80 2jm3 n ASN 24 Ca -0.02 -1.18 -0.28 0.00 -0.60 0.00 0.00 54.58 52.50 2jm3 n ASN 24 Cb 0.15 -1.96 -0.03 0.00 -0.53 0.00 0.00 39.78 37.41 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 -7.16 3.45 0.00 1.20 6.06 -1.26 -5.09 118.95 116.15 2jm3 s ARG 25 Ca 0.69 -0.50 -0.16 0.00 -2.50 0.00 0.00 55.73 53.26 2jm3 s ARG 25 Cb -0.39 -2.98 -0.06 0.00 0.06 0.00 0.00 34.95 31.58 2jm3 s ARG 25 CO 0.99 0.54 0.45 -1.01 -2.50 0.00 0.00 175.30 173.78 2jm3 s HIS 26 N -1.66 3.72 -0.14 5.12 3.76 -1.26 -4.96 115.29 119.86 2jm3 s HIS 26 Ca 0.35 1.04 -0.02 0.00 -0.15 0.00 0.00 55.06 56.28 2jm3 s HIS 26 Cb -0.12 -2.37 -0.02 0.00 1.11 0.00 0.00 32.58 31.18 2jm3 s HIS 26 CO 0.28 0.58 -0.07 -0.06 -0.85 0.00 0.00 174.74 174.62 2jm3 s PHE 27 N -0.88 2.95 0.21 1.40 0.40 -1.26 -0.77 117.98 120.03 2jm3 s PHE 27 Ca 0.25 -0.39 -0.01 0.00 -0.60 0.00 0.00 56.93 56.18 2jm3 s PHE 27 Cb -0.17 -1.91 -0.04 0.00 0.51 0.00 0.00 43.02 41.41 2jm3 s PHE 27 CO 0.14 -0.07 0.41 0.71 0.70 0.00 0.00 175.22 177.11 2jm3 s TYR 28 N 0.30 3.48 -0.42 0.36 2.02 0.80 -4.88 117.35 119.01 2jm3 s TYR 28 Ca -0.06 0.37 0.05 0.00 -0.37 0.00 0.00 57.07 57.06 2jm3 s TYR 28 Cb -0.15 -1.87 0.58 0.00 -0.40 0.00 0.00 41.96 40.12 2jm3 s TYR 28 CO 0.04 0.36 1.76 0.54 -1.57 0.00 0.00 175.55 176.67 2jm3 n ARG 29 N -0.70 2.22 -2.18 -0.62 5.12 -1.26 -1.91 116.66 117.33 2jm3 n ARG 29 Ca -0.04 -3.15 -0.02 0.00 -1.93 0.00 0.00 57.85 52.70 2jm3 n ARG 29 Cb 0.54 -2.08 -0.02 0.00 -1.16 0.00 0.00 32.46 29.74 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 -1.10-10.64 -1.65 0.55 5.41 -1.26 -4.86 119.36 105.81 2jm3 n ILE 30 Ca 0.51 2.27 -0.60 0.00 1.00 0.00 0.00 62.75 65.93 2jm3 n ILE 30 Cb 1.32 -5.61 -0.08 0.00 -0.71 0.00 0.00 39.64 34.57 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 1.34 0.57 -0.39 0.38 -0.02 -1.26 -4.86 135.00 130.75 2jm3 n PRO 31 Ca -0.17 0.21 0.10 0.00 -2.02 0.00 0.00 63.50 61.62 2jm3 n PRO 31 Cb 0.27 -1.79 0.30 0.00 -0.02 0.00 0.00 33.50 32.26 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 3.52 2.95 -3.56 -0.52 2.85 -1.26 -4.04 118.16 118.10 2jm3 n LYS 32 Ca 0.25 -2.63 -0.09 0.00 -1.05 0.00 0.00 58.31 54.79 2jm3 n LYS 32 Cb 0.08 -1.59 -0.09 0.00 -0.65 0.00 0.00 35.03 32.77 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 -1.19 0.32 0.49 -1.58 3.52 -1.26 -3.27 118.95 115.98 2jm3 s ARG 33 Ca 0.46 0.86 -0.21 0.00 -0.13 0.00 0.00 55.73 56.71 2jm3 s ARG 33 Cb 0.25 0.06 -0.08 0.00 -1.56 0.00 0.00 34.95 33.62 2jm3 s ARG 33 CO 0.29 -0.38 1.08 -1.25 -0.81 0.00 0.00 175.30 174.23 2jm3 s PRO 34 N 2.58 3.69 0.42 5.12 0.04 -1.26 -4.96 135.00 140.64 2jm3 s PRO 34 Ca 0.03 1.50 0.16 0.00 0.04 0.00 0.00 61.00 62.74 2jm3 s PRO 34 Cb -0.13 -2.15 0.94 0.00 0.04 0.00 0.00 34.50 33.20 2jm3 s PRO 34 CO -0.13 -0.55 1.92 1.25 0.04 0.00 0.00 177.00 179.53 2jm3 h LEU 35 N 1.60 0.00 -0.96 -3.56 6.46 -1.87 -1.69 115.31 115.29 2jm3 h LEU 35 Ca -0.50 0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.16 2jm3 h LEU 35 Cb 1.24 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.15 2jm3 h LEU 35 CO 0.59 0.27 -0.33 0.40 -0.62 0.00 0.00 178.44 178.74 2jm3 h ILE 36 N 0.00 1.28 -0.53 4.05 1.08 -1.95 -0.98 117.51 120.47 2jm3 h ILE 36 Ca -0.00 -1.38 -0.08 0.00 -0.39 0.00 0.00 64.86 63.01 2jm3 h ILE 36 Cb 0.51 1.52 -0.02 0.00 -3.07 0.00 0.00 36.82 35.76 2jm3 h ILE 36 CO 0.03 0.42 0.00 0.25 -0.69 0.00 0.00 178.15 178.17 2jm3 h LEU 37 N 0.30 0.87 -0.67 1.44 6.46 -1.68 -2.03 115.31 119.99 2jm3 h LEU 37 Ca 0.04 -0.22 0.01 0.00 -0.12 0.00 0.00 57.88 57.58 2jm3 h LEU 37 Cb 0.74 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.40 2jm3 h LEU 37 CO 0.06 0.93 0.44 -0.09 -0.62 0.00 0.00 178.44 179.15 2jm3 h ARG 38 N 0.83 0.88 -0.03 1.25 2.43 -0.99 0.30 114.38 119.05 2jm3 h ARG 38 Ca 0.16 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2jm3 h ARG 38 Cb 0.49 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2jm3 h ARG 38 CO 0.02 0.59 -0.00 0.37 -1.51 0.00 0.00 179.97 179.44 2jm3 h GLN 39 N 0.90 0.03 0.00 0.20 4.15 -0.78 -0.32 115.11 119.30 2jm3 h GLN 39 Ca 0.24 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.66 2jm3 h GLN 39 Cb -0.10 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.58 2jm3 h GLN 39 CO -0.05 0.04 -0.58 0.00 -1.93 0.00 0.00 178.83 176.31 2jm3 h ARG 40 N 0.04 0.00 0.00 1.69 3.08 -0.52 -3.31 114.38 115.36 2jm3 h ARG 40 Ca 0.01 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 2jm3 h ARG 40 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 2jm3 h ARG 40 CO 0.00 0.00 -0.24 -1.49 -1.07 0.00 0.00 179.97 177.17 2jm3 h TRP 41 N 0.00 0.00 0.00 3.04 4.06 0.14 -1.58 115.95 121.60 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 0.93 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.09 2jm3 h TRP 41 CO 0.00 0.24 0.00 -0.07 -3.56 0.00 0.00 178.44 175.05 2jm3 h LEU 42 N 0.00 0.00 -1.19 -4.49 3.38 -1.61 -3.23 115.31 108.17 2jm3 h LEU 42 Ca -0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2jm3 h LEU 42 Cb 0.46 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 2jm3 h LEU 42 CO 0.03 0.00 0.56 0.00 0.09 0.00 0.00 178.44 179.12 2jm3 h THR 43 N 0.00 1.12 0.03 0.22 1.03 -1.48 0.99 112.91 114.82 2jm3 h THR 43 Ca 0.00 -0.36 -0.21 0.00 -0.01 0.00 0.00 66.41 65.83 2jm3 h THR 43 Cb 0.55 -0.01 -0.01 0.00 -1.07 0.00 0.00 68.15 67.61 2jm3 h THR 43 CO 0.00 0.19 -0.97 0.00 -0.01 0.00 0.00 175.52 174.73 2jm3 h ALA 44 N 1.51 0.41 0.00 0.00 0.00 -1.73 -3.19 119.26 116.26 2jm3 h ALA 44 Ca 0.35 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2jm3 h ALA 44 Cb 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2jm3 h ALA 44 CO -0.11 0.98 -0.63 0.44 0.00 0.00 0.00 179.25 179.94 2jm3 n ILE 45 N -3.58 0.30 -3.00 0.00 -5.35 -0.96 -4.78 119.36 101.98 2jm3 n ILE 45 Ca -0.04 -0.24 -0.15 0.00 -0.27 0.00 0.00 62.75 62.05 2jm3 n ILE 45 Cb 0.87 -0.07 0.04 0.00 -1.74 0.00 0.00 39.64 38.74 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 1.36 -0.08 3.13 3.28 0.00 0.30 -4.57 105.19 108.63 2jm3 n GLY 46 Ca 0.03 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 2jm3 n GLY 46 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jm3 n ARG 47 N -3.21 0.87 -3.45 1.61 0.63 -1.05 -5.06 116.66 107.00 2jm3 n ARG 47 Ca -0.03 -3.20 -0.20 0.00 -0.92 0.00 0.00 57.85 53.50 2jm3 n ARG 47 Cb 0.56 1.00 -0.02 0.00 0.45 0.00 0.00 32.46 34.45 2jm3 n ARG 47 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 2jm3 n THR 48 N -1.05 0.00 -0.06 5.15 -1.04 -1.26 -4.70 114.28 111.32 2jm3 n THR 48 Ca -0.16 -1.62 -0.15 0.00 -2.04 0.00 0.00 64.05 60.08 2jm3 n THR 48 Cb 0.56 0.03 -0.07 0.00 -1.82 0.00 0.00 70.33 69.03 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 0.60 0.00 -2.82 5.08 -1.97 -2.54 114.58 112.93 2jm3 h GLU 49 Ca -0.27 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 57.69 2jm3 h GLU 49 Cb 0.91 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.22 2jm3 h GLU 49 CO 0.43 1.02 0.00 0.39 -1.00 0.00 0.00 179.01 179.85 2jm3 n GLU 50 N -4.25 0.66 -0.07 2.33 4.71 -1.26 -2.54 120.64 120.22 2jm3 n GLU 50 Ca -0.06 0.01 0.04 0.00 -0.01 0.00 0.00 57.16 57.13 2jm3 n GLU 50 Cb 0.54 -1.50 0.07 0.00 -1.01 0.00 0.00 31.44 29.54 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 -1.15 0.60 -0.02 2.62 -2.24 -1.09 -4.60 114.28 108.40 2jm3 n THR 51 Ca 0.18 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 2jm3 n THR 51 Cb 0.17 0.76 -0.05 0.00 -2.10 0.00 0.00 70.33 69.11 2jm3 n THR 51 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2jm3 n VAL 52 N 0.26 0.20 -2.83 2.28 3.14 -0.98 -4.76 118.33 115.65 2jm3 n VAL 52 Ca 0.06 -0.19 -0.35 0.00 -2.96 0.00 0.00 64.34 60.89 2jm3 n VAL 52 Cb 0.29 -0.24 -0.07 0.00 -1.06 0.00 0.00 33.84 32.77 2jm3 n VAL 52 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2jm3 s VAL 53 N -2.29 4.31 0.00 1.55 1.01 -1.19 -3.06 120.40 120.73 2jm3 s VAL 53 Ca -0.03 1.65 0.00 0.00 0.00 0.00 0.00 61.98 63.61 2jm3 s VAL 53 Cb 0.03 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.55 2jm3 s VAL 53 CO 0.25 -0.01 0.00 -1.20 0.00 0.00 0.00 175.10 174.13 2jm3 n SER 54 N 0.15 0.00 0.03 3.32 7.64 -1.26 -4.29 113.62 119.21 2jm3 n SER 54 Ca 0.03 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.79 2jm3 n SER 54 Cb 0.52 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.58 2jm3 n SER 54 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2jm3 h GLN 55 N 0.00 0.12 -5.92 1.43 5.75 -1.93 -3.45 115.11 111.11 2jm3 h GLN 55 Ca 0.00 -0.21 -0.57 0.00 -0.15 0.00 0.00 58.65 57.73 2jm3 h GLN 55 Cb 0.00 0.08 -0.06 0.00 1.07 0.00 0.00 27.48 28.56 2jm3 h GLN 55 CO 0.00 0.88 0.01 -0.51 -2.65 0.00 0.00 178.83 176.56 2jm3 s LEU 56 N -6.62 4.30 0.10 -2.39 1.02 -1.17 -4.82 118.68 109.08 2jm3 s LEU 56 Ca -0.07 1.05 0.08 0.00 0.02 0.00 0.00 54.13 55.20 2jm3 s LEU 56 Cb 0.08 -2.94 -0.03 0.00 0.02 0.00 0.00 46.19 43.31 2jm3 s LEU 56 CO 0.83 -0.08 -0.21 -0.13 0.02 0.00 0.00 176.35 176.78 2jm3 s ARG 57 N 0.78 1.16 -0.04 1.70 1.81 -1.19 -4.69 118.95 118.47 2jm3 s ARG 57 Ca 0.33 -1.14 0.05 0.00 -1.72 0.00 0.00 55.73 53.25 2jm3 s ARG 57 Cb -0.17 -1.42 -0.00 0.00 -0.45 0.00 0.00 34.95 32.91 2jm3 s ARG 57 CO 0.15 0.33 -0.18 0.42 -0.68 0.00 0.00 175.30 175.34 2jm3 s ILE 58 N -1.12 1.53 0.66 1.52 -1.09 -0.80 -1.58 121.20 120.31 2jm3 s ILE 58 Ca 0.07 -0.77 -0.16 0.00 -2.23 0.00 0.00 60.65 57.56 2jm3 s ILE 58 Cb -0.10 -1.31 -0.00 0.00 -1.58 0.00 0.00 42.46 39.47 2jm3 s ILE 58 CO 0.04 0.44 1.14 0.00 -1.23 0.00 0.00 174.94 175.33 2jm3 n SER 60 N -2.27 0.10 -0.02 0.00 2.88 0.05 -2.85 113.62 111.52 2jm3 n SER 60 Ca 0.12 0.52 0.15 0.00 -1.33 0.00 0.00 58.87 58.33 2jm3 n SER 60 Cb 0.51 -0.54 0.83 0.00 -0.75 0.00 0.00 64.21 64.26 2jm3 n SER 60 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jm3 n ALA 61 N -1.54 2.60 -0.30 -1.46 0.00 -1.26 -3.41 120.51 115.14 2jm3 n ALA 61 Ca 0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 53.44 53.26 2jm3 n ALA 61 Cb 0.24 -1.49 0.20 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.11 1.61 -4.25 0.00 -0.00 -1.13 -4.82 115.22 105.52 2jm3 n HIS 62 Ca 0.19 -0.84 -0.15 0.00 -0.00 0.00 0.00 57.72 56.92 2jm3 n HIS 62 Cb 0.19 -0.51 -0.10 0.00 -0.00 0.00 0.00 29.99 29.57 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 -2.12 1.36 -0.41 4.41 0.08 -1.22 -1.04 117.98 119.04 2jm3 s PHE 63 Ca 0.36 -1.40 -0.29 0.00 0.12 0.00 0.00 56.93 55.72 2jm3 s PHE 63 Cb 0.28 -0.67 0.01 0.00 -0.57 0.00 0.00 43.02 42.08 2jm3 s PHE 63 CO 0.09 -0.62 1.41 -1.21 -0.10 0.00 0.00 175.22 174.79 2jm3 s GLU 64 N -3.99 3.59 0.00 0.44 2.02 -1.26 -2.50 118.70 117.00 2jm3 s GLU 64 Ca 0.39 0.95 0.00 0.00 0.02 0.00 0.00 54.97 56.33 2jm3 s GLU 64 Cb 0.06 -4.02 0.00 0.00 0.10 0.00 0.00 34.13 30.27 2jm3 s GLU 64 CO 0.15 -1.55 0.00 0.41 0.02 0.00 0.00 175.26 174.29 2jm3 n GLY 65 N 5.05 2.57 0.62 -1.39 0.00 -1.26 -3.56 105.19 107.21 2jm3 n GLY 65 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 1.15 2.94 -0.02 0.00 -1.04 -5.05 105.19 101.17 2jm3 n GLY 66 Ca 0.00 -0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.27 1.69 -0.32 1.61 2.12 -1.23 -4.70 118.70 116.59 2jm3 s GLU 67 Ca 0.00 -0.33 -0.12 0.00 0.36 0.00 0.00 54.97 54.88 2jm3 s GLU 67 Cb 0.00 -1.66 -0.02 0.00 0.26 0.00 0.00 34.13 32.71 2jm3 s GLU 67 CO 0.00 -0.22 0.21 0.21 -0.54 0.00 0.00 175.26 174.93 2jm3 s LYS 68 N 1.52 3.56 0.00 4.30 2.20 -1.26 -4.51 119.74 125.55 2jm3 s LYS 68 Ca 0.02 -0.59 0.00 0.00 -0.36 0.00 0.00 55.97 55.04 2jm3 s LYS 68 Cb -0.13 -3.74 0.00 0.00 -1.51 0.00 0.00 37.83 32.45 2jm3 s LYS 68 CO -0.07 -0.39 0.00 1.63 -0.36 0.00 0.00 175.35 176.16 2jm3 n LYS 69 N 5.08 0.00 -0.01 4.03 4.76 -1.26 -5.03 118.16 125.73 2jm3 n LYS 69 Ca -0.13 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.30 2jm3 n LYS 69 Cb 0.50 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.68 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 1.86 -2.51 1.97 4.71 -1.26 -4.82 120.64 120.59 2jm3 n GLU 70 Ca 0.00 0.01 -0.18 0.00 -0.01 0.00 0.00 57.16 56.98 2jm3 n GLU 70 Cb 0.00 -1.05 0.02 0.00 -1.01 0.00 0.00 31.44 29.40 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 3.14 4.18 3.21 0.62 0.00 -1.26 -4.50 105.19 110.57 2jm3 n GLY 71 Ca -0.04 -2.10 -0.35 0.00 0.00 0.00 0.00 46.02 43.54 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 -3.44 4.37 -0.06 1.61 1.01 -1.26 -0.72 116.67 118.17 2jm3 s ASP 72 Ca 0.40 -0.86 -0.14 0.00 0.71 0.00 0.00 52.55 52.66 2jm3 s ASP 72 Cb 0.41 -1.68 -0.05 0.00 1.01 0.00 0.00 42.92 42.61 2jm3 s ASP 72 CO -0.07 -0.13 0.36 -0.63 0.21 0.00 0.00 175.17 174.91 2jm3 s ILE 73 N 1.34 5.16 0.58 0.77 1.01 0.13 -4.90 121.20 125.29 2jm3 s ILE 73 Ca 0.00 0.71 -0.19 0.00 0.00 0.00 0.00 60.65 61.17 2jm3 s ILE 73 Cb -0.17 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 2jm3 s ILE 73 CO -0.04 0.52 1.22 -2.16 0.00 0.00 0.00 174.94 174.48 2jm3 s PRO 74 N -0.60 3.03 0.19 2.79 0.04 -1.26 -3.66 135.00 135.53 2jm3 s PRO 74 Ca 0.21 1.85 0.08 0.00 0.04 0.00 0.00 61.00 63.18 2jm3 s PRO 74 Cb -0.15 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 2jm3 s PRO 74 CO 0.10 -1.17 -0.15 0.14 0.04 0.00 0.00 177.00 175.96 2jm3 s VAL 75 N -1.57 1.74 0.24 -0.36 -7.23 -0.21 -4.62 120.40 108.40 2jm3 s VAL 75 Ca 0.76 -2.11 0.20 0.00 -1.81 0.00 0.00 61.98 59.03 2jm3 s VAL 75 Cb -0.31 -1.96 0.17 0.00 0.56 0.00 0.00 36.38 34.84 2jm3 s VAL 75 CO 0.34 -0.51 1.83 1.55 -0.31 0.00 0.00 175.10 177.99 2jm3 h PRO 76 N 2.79 0.00 -0.37 4.82 0.13 -1.89 -3.42 132.00 134.06 2jm3 h PRO 76 Ca -0.39 0.00 0.23 0.00 -0.87 0.00 0.00 66.00 64.97 2jm3 h PRO 76 Cb 1.22 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.13 2jm3 h PRO 76 CO 0.58 0.30 0.12 0.34 -0.23 0.00 0.00 178.00 179.12 2jm3 s ASP 77 N -6.41 -0.49 0.65 1.44 -1.08 -1.26 -4.63 116.67 104.88 2jm3 s ASP 77 Ca -0.01 0.32 0.36 0.00 -0.52 0.00 0.00 52.55 52.71 2jm3 s ASP 77 Cb 0.12 1.42 2.01 0.00 -1.46 0.00 0.00 42.92 45.00 2jm3 s ASP 77 CO 0.66 -0.09 2.18 -0.65 0.52 0.00 0.00 175.17 177.79 2jm3 h PRO 78 N 7.98 0.00 0.01 4.34 0.11 -1.84 0.47 132.00 143.07 2jm3 h PRO 78 Ca -0.14 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.63 2jm3 h PRO 78 Cb 1.17 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.22 2jm3 h PRO 78 CO -0.08 0.00 -2.12 0.25 -0.21 0.00 0.00 178.00 175.84 2jm3 n THR 79 N -3.21 1.51 0.05 -1.15 -2.24 -1.26 -4.46 114.28 103.53 2jm3 n THR 79 Ca -0.02 -0.79 -0.22 0.00 -2.27 0.00 0.00 64.05 60.75 2jm3 n THR 79 Cb 0.22 -0.87 -0.14 0.00 -2.10 0.00 0.00 70.33 67.43 2jm3 n THR 79 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2jm3 h VAL 80 N 0.01 1.15 -3.20 2.28 2.07 -1.74 -3.47 116.25 113.35 2jm3 h VAL 80 Ca -0.45 -2.49 -0.64 0.00 0.82 0.00 0.00 66.70 63.95 2jm3 h VAL 80 Cb 2.11 2.87 -0.15 0.00 -1.52 0.00 0.00 31.29 34.60 2jm3 h VAL 80 CO 0.04 0.75 -0.74 -0.62 0.02 0.00 0.00 177.57 177.02 2jm3 s ASP 81 N -7.14 4.18 -0.56 0.57 -1.08 0.16 -5.03 116.67 107.77 2jm3 s ASP 81 Ca -0.16 -0.56 -0.28 0.00 -0.52 0.00 0.00 52.55 51.03 2jm3 s ASP 81 Cb 0.04 -0.69 0.00 0.00 -1.46 0.00 0.00 42.92 40.81 2jm3 s ASP 81 CO 0.82 0.13 1.53 -0.54 0.52 0.00 0.00 175.17 177.63 2jm3 s LYS 82 N -2.63 3.16 -0.43 4.34 -0.14 -1.26 -4.32 119.74 118.46 2jm3 s LYS 82 Ca 0.23 0.53 -0.39 0.00 -1.36 0.00 0.00 55.97 54.98 2jm3 s LYS 82 Cb -0.09 -4.19 -0.17 0.00 -1.68 0.00 0.00 37.83 31.70 2jm3 s LYS 82 CO 0.14 -2.11 1.61 0.94 -0.76 0.00 0.00 175.35 175.17 2jm3 n GLN 83 N 8.80 0.00 -2.55 1.68 -0.06 -1.26 -4.81 117.38 119.17 2jm3 n GLN 83 Ca 0.14 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.73 2jm3 n GLN 83 Cb 0.50 -1.28 -0.03 0.00 -4.06 0.00 0.00 30.24 25.36 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 3.90 3.76 0.11 1.69 1.01 -1.24 -4.97 121.20 125.46 2jm3 s ILE 84 Ca 0.96 0.21 0.09 0.00 0.00 0.00 0.00 60.65 61.91 2jm3 s ILE 84 Cb -1.28 -4.94 -0.04 0.00 0.01 0.00 0.00 42.46 36.21 2jm3 s ILE 84 CO 0.63 -1.87 -0.19 -1.59 0.00 0.00 0.00 174.94 171.92 2jm3 s LYS 85 N 5.60 1.77 0.44 2.79 -2.85 -1.26 0.21 119.74 126.42 2jm3 s LYS 85 Ca 0.37 -1.18 0.08 0.00 -1.00 0.00 0.00 55.97 54.23 2jm3 s LYS 85 Cb -0.07 -2.10 -0.00 0.00 -2.06 0.00 0.00 37.83 33.60 2jm3 s LYS 85 CO 0.11 0.48 0.44 0.42 0.10 0.00 0.00 175.35 176.90 2jm3 s ILE 86 N -1.12 2.61 -0.56 3.79 1.01 0.10 -4.97 121.20 122.07 2jm3 s ILE 86 Ca 0.17 -1.27 -0.18 0.00 0.00 0.00 0.00 60.65 59.37 2jm3 s ILE 86 Cb -0.10 -2.89 0.11 0.00 0.01 0.00 0.00 42.46 39.58 2jm3 s ILE 86 CO 0.09 0.00 0.61 -0.70 0.00 0.00 0.00 174.94 174.94 2jm3 s GLU 87 N -4.21 3.03 -0.02 2.79 2.56 -1.26 -4.88 118.70 116.71 2jm3 s GLU 87 Ca 0.49 -1.41 -0.30 0.00 0.00 0.00 0.00 54.97 53.75 2jm3 s GLU 87 Cb -0.04 -4.25 -0.05 0.00 2.00 0.00 0.00 34.13 31.78 2jm3 s GLU 87 CO 0.29 -1.40 1.40 -1.17 -0.56 0.00 0.00 175.26 173.81 2jm3 s LEU 88 N 2.25 4.30 0.28 2.70 2.96 -1.26 -4.98 118.68 124.94 2jm3 s LEU 88 Ca 0.08 2.07 -0.30 0.00 -0.22 0.00 0.00 54.13 55.77 2jm3 s LEU 88 Cb -0.26 -3.56 -0.11 0.00 0.50 0.00 0.00 46.19 42.77 2jm3 s LEU 88 CO 0.06 -0.73 1.48 -2.84 -1.32 0.00 0.00 176.35 173.00 2jm3 s PRO 89 N 2.62 4.21 -0.62 0.98 0.02 -1.26 -4.85 135.00 136.09 2jm3 s PRO 89 Ca 0.63 2.41 -0.31 0.00 0.02 0.00 0.00 61.00 63.75 2jm3 s PRO 89 Cb -0.30 -3.06 -0.14 0.00 0.02 0.00 0.00 34.50 31.02 2jm3 s PRO 89 CO 0.25 -0.48 2.44 -2.30 -0.33 0.00 0.00 177.00 176.58 2jm3 n PRO 90 N 1.93 0.67 0.00 5.54 -0.02 -1.26 -5.23 135.00 136.63 2jm3 n PRO 90 Ca 0.06 0.08 0.11 0.00 -2.02 0.00 0.00 63.50 61.73 2jm3 n PRO 90 Cb 0.39 -2.44 0.09 0.00 -0.02 0.00 0.00 33.50 31.52 2jm3 n PRO 90 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84