#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 5.99 -0.35 1.61 0.01 -1.26 -5.06 113.70 114.64 2jm3 s SER 2 Ca 0.00 1.04 -0.03 0.00 1.31 0.00 0.00 55.95 58.28 2jm3 s SER 2 Cb 0.00 -2.14 0.07 0.00 0.21 0.00 0.00 66.02 64.16 2jm3 s SER 2 CO 0.00 -0.87 0.10 -0.32 0.41 0.00 0.00 173.24 172.56 2jm3 s MET 3 N -5.00 2.26 -0.61 12.44 -2.45 -1.26 -5.05 119.30 119.63 2jm3 s MET 3 Ca 0.52 -1.50 -0.26 0.00 -1.25 0.00 0.00 55.69 53.21 2jm3 s MET 3 Cb -0.11 -3.39 -0.09 0.00 1.25 0.00 0.00 34.83 32.50 2jm3 s MET 3 CO 0.48 -0.82 2.38 -1.25 1.05 0.00 0.00 175.02 176.86 2jm3 s PRO 4 N 1.22 1.95 0.59 4.11 0.04 -1.26 -4.95 135.00 136.70 2jm3 s PRO 4 Ca 0.01 1.02 -0.03 0.00 0.04 0.00 0.00 61.00 62.04 2jm3 s PRO 4 Cb -0.21 -4.66 0.03 0.00 0.04 0.00 0.00 34.50 29.70 2jm3 s PRO 4 CO -0.02 -3.67 0.86 0.99 0.04 0.00 0.00 177.00 175.20 2jm3 s THR 5 N 12.95 3.15 -0.09 1.26 2.01 -1.26 -5.11 115.64 128.56 2jm3 s THR 5 Ca 0.94 -0.30 -0.03 0.00 0.31 0.00 0.00 61.69 62.61 2jm3 s THR 5 Cb -0.15 -3.25 0.05 0.00 0.01 0.00 0.00 72.50 69.16 2jm3 s THR 5 CO 0.19 -0.22 0.15 -0.89 -0.69 0.00 0.00 174.62 173.15 2jm3 s THR 6 N -2.93 -0.23 0.37 -0.82 2.01 -1.26 -4.99 115.64 107.79 2jm3 s THR 6 Ca 0.55 0.31 -0.27 0.00 0.31 0.00 0.00 61.69 62.60 2jm3 s THR 6 Cb -0.10 -0.31 -0.09 0.00 0.01 0.00 0.00 72.50 72.00 2jm3 s THR 6 CO 0.42 0.11 1.20 0.00 -0.69 0.00 0.00 174.62 175.66 2jm3 n GLY 8 N 0.75 -1.26 3.77 0.00 0.00 -0.06 -4.79 105.19 103.59 2jm3 n GLY 8 Ca 0.03 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.94 3.13 0.49 1.61 0.40 -1.26 -4.91 117.98 114.50 2jm3 s PHE 9 Ca 0.14 1.49 0.16 0.00 -0.60 0.00 0.00 56.93 58.12 2jm3 s PHE 9 Cb 0.18 -3.56 1.19 0.00 0.51 0.00 0.00 43.02 41.34 2jm3 s PHE 9 CO 0.63 -1.54 2.08 -1.00 0.70 0.00 0.00 175.22 176.09 2jm3 h PRO 10 N 3.28 0.15 -1.64 0.24 0.13 -1.89 -3.35 132.00 128.91 2jm3 h PRO 10 Ca -0.49 -0.01 -0.28 0.00 -0.87 0.00 0.00 66.00 64.36 2jm3 h PRO 10 Cb 1.23 -0.03 -0.27 0.00 0.13 0.00 0.00 31.00 32.05 2jm3 h PRO 10 CO 0.65 0.10 -0.62 1.21 -0.23 0.00 0.00 178.00 179.11 2jm3 s ASN 11 N -6.74 0.28 -1.05 1.44 2.47 -1.26 -5.07 114.94 105.00 2jm3 s ASN 11 Ca -0.06 -1.40 -0.22 0.00 0.42 0.00 0.00 52.86 51.59 2jm3 s ASN 11 Cb 0.18 1.00 0.03 0.00 -1.45 0.00 0.00 41.25 41.01 2jm3 s ASN 11 CO 0.70 -0.22 1.58 0.00 -3.72 0.00 0.00 177.10 175.44 2jm3 n LYS 13 N 8.79 0.06 -0.04 0.00 2.85 -1.26 -2.62 118.16 125.94 2jm3 n LYS 13 Ca 0.37 0.23 -0.15 0.00 -1.05 0.00 0.00 58.31 57.70 2jm3 n LYS 13 Cb 0.49 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 33.29 2jm3 n LYS 13 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 177.40 178.09 2jm3 h PHE 14 N 0.00 0.67 -0.61 5.58 0.04 -1.89 -0.08 116.94 120.65 2jm3 h PHE 14 Ca 0.00 -0.28 -0.00 0.00 2.80 0.00 0.00 57.97 60.49 2jm3 h PHE 14 Cb 0.22 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.23 2jm3 h PHE 14 CO 0.00 1.04 0.38 0.00 -0.60 0.00 0.00 178.31 179.12 2jm3 h ARG 15 N 0.11 0.81 0.00 1.51 3.08 -1.85 -1.67 114.38 116.37 2jm3 h ARG 15 Ca -0.02 -0.07 -0.17 0.00 0.07 0.00 0.00 59.98 59.80 2jm3 h ARG 15 Cb 1.06 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.91 2jm3 h ARG 15 CO 0.09 0.57 -0.79 0.66 -1.07 0.00 0.00 179.97 179.43 2jm3 h SER 16 N 0.82 0.00 0.69 7.04 4.64 -1.60 -0.12 113.55 125.02 2jm3 h SER 16 Ca 0.22 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.38 2jm3 h SER 16 Cb -0.04 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 2jm3 h SER 16 CO -0.04 0.79 -0.73 0.08 -0.87 0.00 0.00 176.83 176.06 2jm3 h ARG 17 N 0.00 0.03 0.02 4.77 0.11 -0.78 -3.29 114.38 115.23 2jm3 h ARG 17 Ca -0.01 -0.02 -0.00 0.00 0.10 0.00 0.00 59.98 60.05 2jm3 h ARG 17 Cb 1.41 0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.50 2jm3 h ARG 17 CO 0.10 0.74 -0.01 1.88 0.10 0.00 0.00 179.97 182.79 2jm3 h TYR 18 N 0.02 -0.02 0.00 4.08 -1.99 -1.24 -3.50 116.97 114.32 2jm3 h TYR 18 Ca -0.01 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 2jm3 h TYR 18 Cb 1.29 0.01 0.00 0.00 2.00 0.00 0.00 36.73 40.02 2jm3 h TYR 18 CO 0.00 0.48 0.00 0.54 -0.00 0.00 0.00 178.16 179.18 2jm3 n ARG 19 N -4.72 0.00 -0.35 4.88 5.12 -0.06 -5.04 116.66 116.49 2jm3 n ARG 19 Ca -0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.87 2jm3 n ARG 19 Cb 0.24 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.54 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 0.00 0.81 2.74 -0.13 0.00 -1.20 -4.03 105.19 103.38 2jm3 n GLY 20 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 4.01 -0.67 0.99 4.77 -1.26 -4.88 117.00 119.96 2jm3 n LEU 21 Ca 0.00 -5.57 -0.09 0.00 -0.03 0.00 0.00 56.01 50.33 2jm3 n LEU 21 Cb 0.40 -0.50 -0.04 0.00 -2.33 0.00 0.00 43.42 40.96 2jm3 n LEU 21 CO 0.00 2.27 -0.08 -0.62 -1.33 0.00 0.00 177.39 177.62 2jm3 n GLU 22 N 0.12 -1.56 0.00 3.23 4.71 -1.26 -2.89 120.64 122.99 2jm3 n GLU 22 Ca 0.30 0.78 0.00 0.00 -0.01 0.00 0.00 57.16 58.23 2jm3 n GLU 22 Cb 0.41 -5.10 0.00 0.00 -1.01 0.00 0.00 31.44 25.75 2jm3 n GLU 22 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2jm3 n ASP 23 N -0.95 0.00 -0.38 1.62 -0.08 -1.26 -2.40 116.55 113.09 2jm3 n ASP 23 Ca -0.09 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.19 2jm3 n ASP 23 Cb 0.53 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.99 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 0.59 -1.74 -4.89 1.67 5.15 -1.14 -4.95 115.26 109.95 2jm3 n ASN 24 Ca 0.00 -0.01 -0.22 0.00 -0.60 0.00 0.00 54.58 53.75 2jm3 n ASN 24 Cb 0.00 -0.61 0.06 0.00 -0.53 0.00 0.00 39.78 38.70 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 -4.66 2.27 -0.49 1.20 6.06 -1.01 -5.06 118.95 117.26 2jm3 s ARG 25 Ca 0.01 -0.84 -0.17 0.00 -2.50 0.00 0.00 55.73 52.23 2jm3 s ARG 25 Cb -0.00 -2.42 0.07 0.00 0.06 0.00 0.00 34.95 32.66 2jm3 s ARG 25 CO 0.01 -0.97 0.51 -1.01 -2.50 0.00 0.00 175.30 171.35 2jm3 s HIS 26 N -2.91 3.15 -0.38 5.12 3.76 -1.26 -4.99 115.29 117.78 2jm3 s HIS 26 Ca 0.60 -0.77 -0.29 0.00 -0.15 0.00 0.00 55.06 54.46 2jm3 s HIS 26 Cb -0.09 -3.39 0.02 0.00 1.11 0.00 0.00 32.58 30.24 2jm3 s HIS 26 CO 0.41 -0.93 1.11 -0.06 -0.85 0.00 0.00 174.74 174.42 2jm3 s PHE 27 N 2.12 3.00 0.65 1.40 0.40 -1.26 -2.65 117.98 121.64 2jm3 s PHE 27 Ca 0.09 1.00 -0.11 0.00 -0.60 0.00 0.00 56.93 57.31 2jm3 s PHE 27 Cb -0.22 -3.98 -0.02 0.00 0.51 0.00 0.00 43.02 39.31 2jm3 s PHE 27 CO 0.09 -1.00 1.05 0.71 0.70 0.00 0.00 175.22 176.77 2jm3 s TYR 28 N 3.99 3.50 0.07 0.36 2.02 0.15 -4.73 117.35 122.71 2jm3 s TYR 28 Ca 0.47 1.24 -0.03 0.00 -0.37 0.00 0.00 57.07 58.38 2jm3 s TYR 28 Cb -0.10 -2.82 -0.05 0.00 -0.40 0.00 0.00 41.96 38.59 2jm3 s TYR 28 CO 0.22 -0.87 0.26 0.50 -1.57 0.00 0.00 175.55 174.09 2jm3 s ARG 29 N -5.21 3.52 -0.11 -0.62 6.06 -1.26 -1.15 118.95 120.18 2jm3 s ARG 29 Ca 0.56 -0.26 -0.29 0.00 -2.50 0.00 0.00 55.73 53.24 2jm3 s ARG 29 Cb -0.11 -3.00 -0.07 0.00 0.06 0.00 0.00 34.95 31.83 2jm3 s ARG 29 CO 0.54 0.58 2.11 -0.89 -2.50 0.00 0.00 175.30 175.14 2jm3 n ILE 30 N 0.45 0.53 -1.45 4.11 -0.00 -1.26 -4.84 119.36 116.90 2jm3 n ILE 30 Ca -0.06 -0.31 -0.48 0.00 -0.00 0.00 0.00 62.75 61.90 2jm3 n ILE 30 Cb 0.52 -2.43 -0.08 0.00 -0.00 0.00 0.00 39.64 37.64 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 8.18 0.80 0.00 0.38 -0.02 -1.26 -4.79 135.00 138.29 2jm3 n PRO 31 Ca 0.26 0.17 0.14 0.00 -2.02 0.00 0.00 63.50 62.05 2jm3 n PRO 31 Cb 0.42 -2.36 0.60 0.00 -0.02 0.00 0.00 33.50 32.15 2jm3 n PRO 31 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2jm3 n LYS 32 N 8.30 0.52 -3.71 -0.52 0.00 -1.26 -3.47 118.16 118.02 2jm3 n LYS 32 Ca 0.46 -0.16 -0.27 0.00 0.00 0.00 0.00 58.31 58.34 2jm3 n LYS 32 Cb 0.22 -1.50 -0.17 0.00 0.00 0.00 0.00 35.03 33.59 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 -2.58 0.53 0.60 1.64 0.52 -1.26 -3.00 118.95 115.40 2jm3 s ARG 33 Ca 0.26 -0.34 -0.08 0.00 -0.52 0.00 0.00 55.73 55.05 2jm3 s ARG 33 Cb 0.20 -2.02 -0.01 0.00 0.52 0.00 0.00 34.95 33.64 2jm3 s ARG 33 CO 0.50 -0.64 0.94 -1.25 0.02 0.00 0.00 175.30 174.87 2jm3 s PRO 34 N 1.92 3.15 0.40 3.54 0.04 -1.26 -4.94 135.00 137.85 2jm3 s PRO 34 Ca -0.00 0.26 0.15 0.00 0.04 0.00 0.00 61.00 61.44 2jm3 s PRO 34 Cb -0.17 -2.21 0.85 0.00 0.04 0.00 0.00 34.50 33.02 2jm3 s PRO 34 CO -0.08 -0.64 1.88 1.25 0.04 0.00 0.00 177.00 179.45 2jm3 h LEU 35 N -0.21 0.00 -0.83 -3.56 5.85 -1.79 -2.45 115.31 112.31 2jm3 h LEU 35 Ca -0.45 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.17 2jm3 h LEU 35 Cb 1.23 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 2jm3 h LEU 35 CO 0.62 0.30 -0.15 0.40 -0.34 0.00 0.00 178.44 179.27 2jm3 h ILE 36 N 0.00 1.26 -0.62 4.05 1.08 -1.91 0.90 117.51 122.27 2jm3 h ILE 36 Ca -0.00 -1.20 -0.05 0.00 -0.39 0.00 0.00 64.86 63.22 2jm3 h ILE 36 Cb 0.56 1.13 -0.03 0.00 -3.07 0.00 0.00 36.82 35.42 2jm3 h ILE 36 CO 0.04 0.40 0.20 0.25 -0.69 0.00 0.00 178.15 178.35 2jm3 h LEU 37 N 0.64 0.90 -0.63 1.44 5.85 -1.76 -0.33 115.31 121.41 2jm3 h LEU 37 Ca 0.10 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 2jm3 h LEU 37 Cb 0.62 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 2jm3 h LEU 37 CO 0.04 0.87 0.24 -0.09 -0.34 0.00 0.00 178.44 179.16 2jm3 h ARG 38 N 0.89 0.95 -0.95 1.25 2.43 -1.24 0.29 114.38 118.00 2jm3 h ARG 38 Ca 0.20 -0.18 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2jm3 h ARG 38 Cb 0.28 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.63 2jm3 h ARG 38 CO -0.01 0.81 0.63 1.96 -1.51 0.00 0.00 179.97 181.85 2jm3 h GLN 39 N 0.89 1.24 -0.04 0.20 7.50 -0.41 -1.91 115.11 122.59 2jm3 h GLN 39 Ca 0.21 -0.07 -0.19 0.00 0.50 0.00 0.00 58.65 59.09 2jm3 h GLN 39 Cb 0.22 -0.28 -0.01 0.00 0.05 0.00 0.00 27.48 27.47 2jm3 h GLN 39 CO -0.02 0.82 -0.81 0.00 -1.50 0.00 0.00 178.83 177.33 2jm3 h ARG 40 N 1.27 0.34 -0.82 1.46 2.47 -0.63 -3.19 114.38 115.29 2jm3 h ARG 40 Ca 0.35 -0.31 0.13 0.00 -1.26 0.00 0.00 59.98 58.89 2jm3 h ARG 40 Cb -0.12 0.08 -0.06 0.00 -1.65 0.00 0.00 29.97 28.21 2jm3 h ARG 40 CO -0.08 0.98 0.54 -1.49 0.56 0.00 0.00 179.97 180.48 2jm3 h TRP 41 N 0.21 0.70 0.00 3.04 4.06 0.36 -1.07 115.95 123.25 2jm3 h TRP 41 Ca -0.04 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.93 2jm3 h TRP 41 Cb 1.40 -0.22 0.00 0.00 -1.00 0.00 0.00 29.16 29.34 2jm3 h TRP 41 CO 0.04 0.28 0.00 -0.07 -3.56 0.00 0.00 178.44 175.13 2jm3 h LEU 42 N 0.61 0.00 -0.14 -4.49 3.38 -1.44 -3.02 115.31 110.20 2jm3 h LEU 42 Ca 0.40 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.39 2jm3 h LEU 42 Cb 0.70 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2jm3 h LEU 42 CO -0.16 0.00 0.02 0.74 0.09 0.00 0.00 178.44 179.13 2jm3 h THR 43 N 0.00 0.93 0.01 0.22 2.02 -1.36 0.06 112.91 114.78 2jm3 h THR 43 Ca 0.00 -0.03 -0.19 0.00 0.77 0.00 0.00 66.41 66.96 2jm3 h THR 43 Cb 0.14 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 2jm3 h THR 43 CO 0.00 0.01 -0.88 0.00 0.37 0.00 0.00 175.52 175.03 2jm3 h ALA 44 N 1.11 0.53 0.00 6.16 0.00 -1.73 -3.08 119.26 122.26 2jm3 h ALA 44 Ca 0.06 -0.73 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 2jm3 h ALA 44 Cb 0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2jm3 h ALA 44 CO -0.09 0.94 -0.04 -0.84 0.00 0.00 0.00 179.25 179.22 2jm3 h ILE 45 N 0.09 0.07 -3.19 0.00 3.07 -1.61 -3.46 117.51 112.48 2jm3 h ILE 45 Ca -0.04 -1.08 -0.34 0.00 1.55 0.00 0.00 64.86 64.96 2jm3 h ILE 45 Cb 1.51 2.01 0.02 0.00 -0.27 0.00 0.00 36.82 40.09 2jm3 h ILE 45 CO 0.13 0.04 -0.47 0.61 -1.05 0.00 0.00 178.15 177.41 2jm3 n GLY 46 N 1.06 -0.31 3.65 0.16 0.00 -0.02 -4.27 105.19 105.46 2jm3 n GLY 46 Ca 0.04 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 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 -5.22 2.33 0.55 1.61 1.81 -1.07 -5.07 118.95 113.89 2jm3 s ARG 47 Ca 0.14 -1.23 0.09 0.00 -1.72 0.00 0.00 55.73 53.02 2jm3 s ARG 47 Cb -0.06 -2.27 0.07 0.00 -0.45 0.00 0.00 34.95 32.24 2jm3 s ARG 47 CO 0.18 0.42 0.74 0.95 -0.68 0.00 0.00 175.30 176.91 2jm3 s THR 48 N -1.93 2.28 0.06 0.02 -4.23 -1.26 -4.74 115.64 105.84 2jm3 s THR 48 Ca 0.28 -1.01 -0.17 0.00 -1.18 0.00 0.00 61.69 59.61 2jm3 s THR 48 Cb -0.08 -2.29 -0.13 0.00 1.34 0.00 0.00 72.50 71.33 2jm3 s THR 48 CO 0.19 0.00 1.34 -0.33 -0.54 0.00 0.00 174.62 175.28 2jm3 h GLU 49 N 0.27 0.54 0.00 3.99 4.39 -1.99 -0.70 114.58 121.09 2jm3 h GLU 49 Ca -0.32 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.06 2jm3 h GLU 49 Cb 1.29 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 2jm3 h GLU 49 CO 0.42 0.93 0.00 0.39 -1.16 0.00 0.00 179.01 179.59 2jm3 n GLU 50 N -4.35 0.13 -0.03 2.33 4.71 -1.26 -2.20 120.64 119.97 2jm3 n GLU 50 Ca -0.06 0.16 -0.08 0.00 -0.01 0.00 0.00 57.16 57.18 2jm3 n GLU 50 Cb 0.47 -1.67 -0.14 0.00 -1.01 0.00 0.00 31.44 29.09 2jm3 n GLU 50 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 2jm3 n THR 51 N -1.91 1.51 0.08 2.62 -1.04 -1.12 -4.26 114.28 110.16 2jm3 n THR 51 Ca 0.06 -0.80 -0.10 0.00 -2.04 0.00 0.00 64.05 61.17 2jm3 n THR 51 Cb 0.35 -0.88 -0.07 0.00 -1.82 0.00 0.00 70.33 67.91 2jm3 n THR 51 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 2jm3 h VAL 52 N 0.00 1.57 -0.41 12.58 3.04 -0.81 -3.36 116.25 128.85 2jm3 h VAL 52 Ca -0.32 -2.98 -0.72 0.00 -1.01 0.00 0.00 66.70 61.66 2jm3 h VAL 52 Cb 2.01 2.70 -0.07 0.00 -2.01 0.00 0.00 31.29 33.93 2jm3 h VAL 52 CO 0.07 0.86 2.89 0.52 -1.01 0.00 0.00 177.57 180.90 2jm3 n VAL 53 N -3.53 3.86 0.00 1.51 0.31 -0.94 -4.13 118.33 115.41 2jm3 n VAL 53 Ca -0.04 -3.39 0.00 0.00 -0.01 0.00 0.00 64.34 60.90 2jm3 n VAL 53 Cb 0.90 -2.52 0.00 0.00 -0.91 0.00 0.00 33.84 31.31 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 5.04 0.00 -0.15 4.52 3.41 -1.26 -4.99 113.62 120.19 2jm3 n SER 54 Ca 0.52 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 59.15 2jm3 n SER 54 Cb 0.36 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.36 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 2.82 -2.26 4.33 0.00 -1.26 -5.04 117.38 115.97 2jm3 n GLN 55 Ca 0.00 -1.74 -0.42 0.00 -0.00 0.00 0.00 57.00 54.84 2jm3 n GLN 55 Cb 0.00 -1.12 -0.03 0.00 0.00 0.00 0.00 30.24 29.09 2jm3 n GLN 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2jm3 s LEU 56 N -1.21 4.38 0.12 1.69 1.02 -1.26 -4.63 118.68 118.79 2jm3 s LEU 56 Ca 0.08 2.23 0.04 0.00 0.02 0.00 0.00 54.13 56.51 2jm3 s LEU 56 Cb 0.06 -3.59 -0.04 0.00 0.02 0.00 0.00 46.19 42.64 2jm3 s LEU 56 CO 0.04 -0.57 -0.11 -0.13 0.02 0.00 0.00 176.35 175.60 2jm3 s ARG 57 N 0.90 0.97 -0.10 1.70 1.81 -0.98 -4.54 118.95 118.71 2jm3 s ARG 57 Ca 0.61 -1.31 0.00 0.00 -1.72 0.00 0.00 55.73 53.32 2jm3 s ARG 57 Cb -0.34 -0.62 0.02 0.00 -0.45 0.00 0.00 34.95 33.56 2jm3 s ARG 57 CO 0.31 0.09 -0.09 0.42 -0.68 0.00 0.00 175.30 175.35 2jm3 s ILE 58 N -2.84 1.10 0.68 1.52 -1.09 -0.30 -0.88 121.20 119.39 2jm3 s ILE 58 Ca 0.11 -0.37 -0.17 0.00 -2.23 0.00 0.00 60.65 58.00 2jm3 s ILE 58 Cb -0.00 -1.07 0.00 0.00 -1.58 0.00 0.00 42.46 39.81 2jm3 s ILE 58 CO 0.01 0.37 1.16 0.00 -1.23 0.00 0.00 174.94 175.25 2jm3 n SER 60 N -1.91 0.66 0.00 0.00 7.64 -1.08 -2.55 113.62 116.37 2jm3 n SER 60 Ca 0.15 0.64 0.12 0.00 1.01 0.00 0.00 58.87 60.78 2jm3 n SER 60 Cb 0.49 -0.79 0.54 0.00 -1.01 0.00 0.00 64.21 63.44 2jm3 n SER 60 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jm3 n ALA 61 N -1.76 2.15 1.72 -0.43 0.00 -1.26 -2.94 120.51 117.99 2jm3 n ALA 61 Ca 0.03 -0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.42 2jm3 n ALA 61 Cb 0.27 -1.40 0.19 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.47 0.11 -4.59 0.00 -0.00 -1.06 -4.65 115.22 103.57 2jm3 n HIS 62 Ca 0.07 -0.05 -0.28 0.00 -0.00 0.00 0.00 57.72 57.46 2jm3 n HIS 62 Cb 0.28 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.19 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 -1.89 1.82 -1.04 4.41 0.40 -1.15 -0.34 117.98 120.18 2jm3 s PHE 63 Ca 0.14 -1.19 -0.23 0.00 -0.60 0.00 0.00 56.93 55.04 2jm3 s PHE 63 Cb 0.07 -1.29 -0.05 0.00 0.51 0.00 0.00 43.02 42.26 2jm3 s PHE 63 CO 0.10 -0.15 1.90 -1.21 0.70 0.00 0.00 175.22 176.56 2jm3 s GLU 64 N -3.75 2.68 0.00 0.44 2.02 -1.26 -4.40 118.70 114.43 2jm3 s GLU 64 Ca 0.19 -0.78 0.00 0.00 0.02 0.00 0.00 54.97 54.40 2jm3 s GLU 64 Cb 0.02 -5.18 0.00 0.00 0.10 0.00 0.00 34.13 29.07 2jm3 s GLU 64 CO 0.11 -3.47 0.00 0.41 0.02 0.00 0.00 175.26 172.33 2jm3 n GLY 65 N 6.38 2.06 0.00 -1.39 0.00 -1.26 -4.07 105.19 106.90 2jm3 n GLY 65 Ca 0.42 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 3.21 -0.02 0.00 -1.24 -4.41 105.19 102.72 2jm3 n GLY 66 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 3.01 -0.57 1.61 0.41 -1.26 -5.02 118.70 116.88 2jm3 s GLU 67 Ca 0.00 -2.40 -0.14 0.00 -0.41 0.00 0.00 54.97 52.02 2jm3 s GLU 67 Cb 0.00 -4.06 0.14 0.00 -1.78 0.00 0.00 34.13 28.43 2jm3 s GLU 67 CO 0.00 -1.23 0.51 0.21 -0.49 0.00 0.00 175.26 174.26 2jm3 s LYS 68 N 0.22 2.98 0.00 1.61 2.20 -1.26 -4.83 119.74 120.65 2jm3 s LYS 68 Ca 0.16 -1.86 0.00 0.00 -0.36 0.00 0.00 55.97 53.91 2jm3 s LYS 68 Cb -0.17 -4.23 0.00 0.00 -1.51 0.00 0.00 37.83 31.92 2jm3 s LYS 68 CO -0.05 -1.29 0.00 1.63 -0.36 0.00 0.00 175.35 175.27 2jm3 n LYS 69 N 4.93 0.00 -0.21 4.03 4.76 -1.26 -5.01 118.16 125.41 2jm3 n LYS 69 Ca -0.08 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.37 2jm3 n LYS 69 Cb 0.41 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.62 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 0.52 0.00 1.97 4.71 -1.26 -4.78 120.64 121.80 2jm3 n GLU 70 Ca 0.00 -1.09 0.00 0.00 -0.01 0.00 0.00 57.16 56.06 2jm3 n GLU 70 Cb 0.00 -0.69 0.00 0.00 -1.01 0.00 0.00 31.44 29.74 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 -0.25 0.98 3.59 0.62 0.00 -1.26 -4.80 105.19 104.07 2jm3 n GLY 71 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.10 6.62 -0.04 1.61 1.11 -1.26 -0.06 116.67 124.54 2jm3 s ASP 72 Ca 0.00 0.46 -0.16 0.00 0.18 0.00 0.00 52.55 53.03 2jm3 s ASP 72 Cb 0.00 -2.43 -0.05 0.00 1.07 0.00 0.00 42.92 41.50 2jm3 s ASP 72 CO 0.00 -0.81 0.43 -0.63 1.18 0.00 0.00 175.17 175.33 2jm3 s ILE 73 N 3.33 5.07 0.74 0.77 1.01 0.11 -4.83 121.20 127.40 2jm3 s ILE 73 Ca 0.35 0.87 -0.13 0.00 0.00 0.00 0.00 60.65 61.74 2jm3 s ILE 73 Cb -0.12 -3.74 0.04 0.00 0.01 0.00 0.00 42.46 38.65 2jm3 s ILE 73 CO 0.18 0.50 1.13 -2.16 0.00 0.00 0.00 174.94 174.59 2jm3 s PRO 74 N -0.54 2.27 0.19 2.79 0.04 -1.26 -3.37 135.00 135.12 2jm3 s PRO 74 Ca 0.24 1.43 0.05 0.00 0.04 0.00 0.00 61.00 62.77 2jm3 s PRO 74 Cb -0.16 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 2jm3 s PRO 74 CO 0.12 -1.67 -0.10 0.14 0.04 0.00 0.00 177.00 175.54 2jm3 s VAL 75 N -2.45 1.36 0.28 -0.36 -7.23 0.53 -4.59 120.40 107.94 2jm3 s VAL 75 Ca 0.67 -2.11 0.00 0.00 -1.81 0.00 0.00 61.98 58.73 2jm3 s VAL 75 Cb -0.22 -2.03 0.12 0.00 0.56 0.00 0.00 36.38 34.81 2jm3 s VAL 75 CO 0.48 -0.60 1.78 1.55 -0.31 0.00 0.00 175.10 178.00 2jm3 h PRO 76 N 2.63 0.69 -0.91 4.82 0.13 -1.88 -3.42 132.00 134.07 2jm3 h PRO 76 Ca -0.37 -0.18 0.08 0.00 -0.87 0.00 0.00 66.00 64.65 2jm3 h PRO 76 Cb 1.21 -0.08 -0.21 0.00 0.13 0.00 0.00 31.00 32.05 2jm3 h PRO 76 CO 0.63 0.73 -0.27 0.34 -0.23 0.00 0.00 178.00 179.20 2jm3 s ASP 77 N -6.69 -1.37 0.01 1.44 -1.08 -1.26 -4.77 116.67 102.95 2jm3 s ASP 77 Ca -0.09 0.50 0.05 0.00 -0.52 0.00 0.00 52.55 52.50 2jm3 s ASP 77 Cb 0.15 2.01 0.24 0.00 -1.46 0.00 0.00 42.92 43.85 2jm3 s ASP 77 CO 0.80 -0.25 1.17 -0.81 0.52 0.00 0.00 175.17 176.60 2jm3 n PRO 78 N 5.41 0.01 0.08 4.34 -0.04 -1.26 0.57 135.00 144.10 2jm3 n PRO 78 Ca 0.02 0.43 0.11 0.00 -0.04 0.00 0.00 63.50 64.02 2jm3 n PRO 78 Cb 0.53 -1.52 -0.00 0.00 -0.04 0.00 0.00 33.50 32.46 2jm3 n PRO 78 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2jm3 n THR 79 N -1.54 0.47 -0.05 0.52 -1.04 -1.26 -4.58 114.28 106.80 2jm3 n THR 79 Ca 0.01 -0.48 -0.12 0.00 -2.04 0.00 0.00 64.05 61.42 2jm3 n THR 79 Cb 0.06 -0.21 -0.04 0.00 -1.82 0.00 0.00 70.33 68.32 2jm3 n THR 79 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2jm3 n VAL 80 N -2.49 0.83 -2.25 12.58 0.31 0.06 -5.06 118.33 122.31 2jm3 n VAL 80 Ca -0.00 -0.08 -0.01 0.00 -0.01 0.00 0.00 64.34 64.24 2jm3 n VAL 80 Cb 0.53 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.74 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 -3.64 0.03 -3.98 4.52 2.03 0.19 -5.05 116.55 110.66 2jm3 n ASP 81 Ca -0.21 -1.03 -0.31 0.00 0.52 0.00 0.00 54.79 53.77 2jm3 n ASP 81 Cb 0.59 -0.02 -0.15 0.00 -0.72 0.00 0.00 41.12 40.82 2jm3 n ASP 81 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2jm3 s LYS 82 N -2.44 1.81 -0.43 -0.67 3.01 -1.26 -4.54 119.74 115.21 2jm3 s LYS 82 Ca 0.02 -1.06 -0.40 0.00 -1.01 0.00 0.00 55.97 53.52 2jm3 s LYS 82 Cb -0.00 -2.65 -0.17 0.00 -1.01 0.00 0.00 37.83 34.00 2jm3 s LYS 82 CO 0.01 -0.58 1.57 1.04 0.51 0.00 0.00 175.35 177.90 2jm3 n GLN 83 N 4.61 0.00 -2.70 1.68 6.02 -1.26 -4.87 117.38 120.85 2jm3 n GLN 83 Ca -0.13 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.45 2jm3 n GLN 83 Cb 0.44 -1.30 -0.04 0.00 1.02 0.00 0.00 30.24 30.36 2jm3 n GLN 83 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2jm3 s ILE 84 N 3.62 4.52 -0.00 5.09 1.01 -1.22 -4.96 121.20 129.26 2jm3 s ILE 84 Ca 0.96 2.03 0.01 0.00 0.00 0.00 0.00 60.65 63.65 2jm3 s ILE 84 Cb -1.30 -4.30 -0.00 0.00 0.01 0.00 0.00 42.46 36.87 2jm3 s ILE 84 CO 0.66 0.28 -0.02 -0.54 0.00 0.00 0.00 174.94 175.31 2jm3 s LYS 85 N 0.18 0.21 0.31 2.79 3.01 -1.26 0.08 119.74 125.07 2jm3 s LYS 85 Ca 0.48 -0.08 -0.01 0.00 -1.01 0.00 0.00 55.97 55.35 2jm3 s LYS 85 Cb -0.23 -0.21 -0.04 0.00 -1.01 0.00 0.00 37.83 36.33 2jm3 s LYS 85 CO 0.30 0.05 0.53 0.42 0.51 0.00 0.00 175.35 177.15 2jm3 s ILE 86 N -0.01 5.10 -0.39 2.17 1.01 0.91 -4.98 121.20 125.01 2jm3 s ILE 86 Ca 0.00 -0.33 -0.29 0.00 0.00 0.00 0.00 60.65 60.04 2jm3 s ILE 86 Cb -0.02 -3.81 0.01 0.00 0.01 0.00 0.00 42.46 38.65 2jm3 s ILE 86 CO -0.00 -0.45 1.36 -0.70 0.00 0.00 0.00 174.94 175.15 2jm3 s GLU 87 N -4.00 3.67 -0.06 2.79 2.12 -1.26 -4.70 118.70 117.26 2jm3 s GLU 87 Ca 0.41 0.98 -0.02 0.00 0.36 0.00 0.00 54.97 56.70 2jm3 s GLU 87 Cb -0.10 -3.98 0.03 0.00 0.26 0.00 0.00 34.13 30.34 2jm3 s GLU 87 CO 0.34 -1.44 0.07 -1.17 -0.54 0.00 0.00 175.26 172.52 2jm3 s LEU 88 N 5.09 0.14 0.31 2.70 2.96 -1.26 -5.05 118.68 123.58 2jm3 s LEU 88 Ca 0.59 0.02 -0.21 0.00 -0.22 0.00 0.00 54.13 54.31 2jm3 s LEU 88 Cb -0.14 -0.12 -0.09 0.00 0.50 0.00 0.00 46.19 46.34 2jm3 s LEU 88 CO 0.30 -0.26 0.84 -2.16 -1.32 0.00 0.00 176.35 173.75 2jm3 s PRO 89 N 2.18 4.31 0.46 0.98 0.04 -1.26 -4.96 135.00 136.75 2jm3 s PRO 89 Ca 0.05 1.03 0.18 0.00 0.04 0.00 0.00 61.00 62.30 2jm3 s PRO 89 Cb -0.12 -2.64 1.16 0.00 0.04 0.00 0.00 34.50 32.93 2jm3 s PRO 89 CO -0.04 0.24 1.96 -1.35 0.04 0.00 0.00 177.00 177.85 2jm3 h PRO 90 N 2.85 0.27 0.00 0.56 0.11 -2.04 -3.52 132.00 130.23 2jm3 h PRO 90 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2jm3 h PRO 90 Cb 1.19 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2jm3 h PRO 90 CO 0.64 0.18 0.00 0.36 -0.21 0.00 0.00 178.00 178.97