#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 4.30 -4.24 1.61 7.64 -1.26 -4.89 113.62 116.78 2jm3 n SER 2 Ca 0.00 -2.80 -0.32 0.00 1.01 0.00 0.00 58.87 56.76 2jm3 n SER 2 Cb 0.00 -1.62 -0.16 0.00 -1.01 0.00 0.00 64.21 61.42 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 3.20 3.12 -0.78 1.43 -2.45 -1.26 -5.06 119.30 117.50 2jm3 s MET 3 Ca 0.50 -0.83 -0.25 0.00 -1.25 0.00 0.00 55.69 53.86 2jm3 s MET 3 Cb 0.14 -2.42 -0.08 0.00 1.25 0.00 0.00 34.83 33.73 2jm3 s MET 3 CO -0.08 0.13 2.17 -1.25 1.05 0.00 0.00 175.02 177.04 2jm3 s PRO 4 N 0.48 2.14 0.65 4.11 0.04 -1.26 -4.95 135.00 136.21 2jm3 s PRO 4 Ca -0.14 0.30 -0.11 0.00 0.04 0.00 0.00 61.00 61.09 2jm3 s PRO 4 Cb -0.17 -4.83 -0.02 0.00 0.04 0.00 0.00 34.50 29.52 2jm3 s PRO 4 CO 0.05 -3.71 1.04 0.99 0.04 0.00 0.00 177.00 175.42 2jm3 s THR 5 N 12.04 4.41 -0.11 1.26 2.01 -1.26 -5.05 115.64 128.94 2jm3 s THR 5 Ca 0.81 0.78 -0.10 0.00 0.31 0.00 0.00 61.69 63.50 2jm3 s THR 5 Cb -0.11 -3.72 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 2jm3 s THR 5 CO 0.08 -1.02 0.21 -0.89 -0.69 0.00 0.00 174.62 172.31 2jm3 s THR 6 N -3.17 5.37 0.55 -0.82 2.01 -1.26 -5.09 115.64 113.23 2jm3 s THR 6 Ca 0.56 0.38 -0.17 0.00 0.31 0.00 0.00 61.69 62.77 2jm3 s THR 6 Cb -0.12 -3.50 -0.06 0.00 0.01 0.00 0.00 72.50 68.83 2jm3 s THR 6 CO 0.54 0.55 1.04 0.00 -0.69 0.00 0.00 174.62 176.06 2jm3 n GLY 8 N -0.97 0.83 3.76 0.00 0.00 0.45 -4.74 105.19 104.53 2jm3 n GLY 8 Ca 0.08 -0.65 -0.39 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.01 3.55 -1.58 1.61 5.36 -1.26 -4.93 117.98 118.72 2jm3 s PHE 9 Ca 0.29 1.71 0.22 0.00 -0.96 0.00 0.00 56.93 58.19 2jm3 s PHE 9 Cb 0.20 -3.21 1.15 0.00 -0.34 0.00 0.00 43.02 40.82 2jm3 s PHE 9 CO 0.31 -0.44 1.69 -0.35 -1.46 0.00 0.00 175.22 174.97 2jm3 n PRO 10 N 0.91 0.41 -2.77 10.12 -0.04 -1.26 -4.08 135.00 138.28 2jm3 n PRO 10 Ca 0.00 0.06 -0.08 0.00 -0.04 0.00 0.00 63.50 63.44 2jm3 n PRO 10 Cb 0.46 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.21 -2.83 -4.47 3.54 5.15 -1.26 -5.07 115.26 109.11 2jm3 n ASN 11 Ca 0.12 -3.23 -0.43 0.00 -0.60 0.00 0.00 54.58 50.44 2jm3 n ASN 11 Cb 0.14 1.71 -0.03 0.00 -0.53 0.00 0.00 39.78 41.07 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 7.22 1.64 -0.05 0.00 2.85 -1.26 -4.47 118.16 124.09 2jm3 n LYS 13 Ca 0.16 -0.94 -0.02 0.00 -1.05 0.00 0.00 58.31 56.46 2jm3 n LYS 13 Cb 0.48 -1.45 -0.01 0.00 -0.65 0.00 0.00 35.03 33.40 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 2.16 0.00 0.00 5.58 -1.00 -1.95 -2.77 116.94 118.96 2jm3 h PHE 14 Ca 0.00 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.73 2jm3 h PHE 14 Cb 0.46 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.02 2jm3 h PHE 14 CO 0.03 0.09 -0.22 0.00 -1.61 0.00 0.00 178.31 176.60 2jm3 h ARG 15 N -1.00 0.00 0.00 1.51 3.08 -1.95 -1.70 114.38 114.32 2jm3 h ARG 15 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 2jm3 h ARG 15 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 2jm3 h ARG 15 CO -0.00 0.22 -0.26 0.66 -1.07 0.00 0.00 179.97 179.52 2jm3 h SER 16 N 0.00 0.00 0.65 7.04 4.64 -1.78 -2.74 113.55 121.36 2jm3 h SER 16 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jm3 h SER 16 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2jm3 h SER 16 CO 0.03 0.26 0.00 -2.11 -0.87 0.00 0.00 176.83 174.14 2jm3 n ARG 17 N -3.35 0.16 -3.67 4.77 1.85 -0.64 -4.59 116.66 111.19 2jm3 n ARG 17 Ca 0.01 0.08 -0.37 0.00 -1.00 0.00 0.00 57.85 56.57 2jm3 n ARG 17 Cb 0.48 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 30.29 2jm3 n ARG 17 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2jm3 s TYR 18 N -2.81 3.28 0.02 2.89 2.02 -1.03 -5.05 117.35 116.67 2jm3 s TYR 18 Ca 0.17 0.17 -0.30 0.00 -0.37 0.00 0.00 57.07 56.73 2jm3 s TYR 18 Cb 0.16 -2.28 -0.06 0.00 -0.40 0.00 0.00 41.96 39.38 2jm3 s TYR 18 CO 0.40 0.00 1.45 1.03 -1.57 0.00 0.00 175.55 176.87 2jm3 s ARG 19 N 1.19 4.27 0.00 -0.62 1.81 -1.26 -1.79 118.95 122.55 2jm3 s ARG 19 Ca 0.07 2.04 0.00 0.00 -1.72 0.00 0.00 55.73 56.12 2jm3 s ARG 19 Cb -0.14 -3.57 0.00 0.00 -0.45 0.00 0.00 34.95 30.79 2jm3 s ARG 19 CO 0.06 -0.60 0.00 0.41 -0.68 0.00 0.00 175.30 174.48 2jm3 n GLY 20 N 3.71 0.57 3.35 -3.53 0.00 -1.26 -3.76 105.19 104.27 2jm3 n GLY 20 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 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 -4.41 -2.98 0.99 4.77 -0.74 -4.92 117.00 109.71 2jm3 n LEU 21 Ca 0.00 -0.63 -0.40 0.00 -0.03 0.00 0.00 56.01 54.95 2jm3 n LEU 21 Cb 0.00 -3.11 0.04 0.00 -2.33 0.00 0.00 43.42 38.02 2jm3 n LEU 21 CO 0.00 0.30 1.54 1.21 -1.33 0.00 0.00 177.39 179.11 2jm3 n GLU 22 N -3.86 2.98 -0.02 3.23 4.07 -1.25 -4.69 120.64 121.10 2jm3 n GLU 22 Ca -0.23 -3.62 0.00 0.00 -0.06 0.00 0.00 57.16 53.25 2jm3 n GLU 22 Cb 0.65 -2.29 0.30 0.00 -0.06 0.00 0.00 31.44 30.05 2jm3 n GLU 22 CO 0.00 0.00 0.00 0.38 -0.06 0.00 0.00 177.13 177.45 2jm3 h ASP 23 N 3.10 0.53 -4.90 4.31 2.03 -1.89 -3.46 116.42 116.14 2jm3 h ASP 23 Ca 0.57 -0.09 -0.33 0.00 -0.73 0.00 0.00 57.03 56.45 2jm3 h ASP 23 Cb 0.05 -0.14 -0.05 0.00 -0.83 0.00 0.00 39.33 38.36 2jm3 h ASP 23 CO 1.42 0.56 -0.48 -3.20 -1.03 0.00 0.00 179.24 176.51 2jm3 n ASN 24 N -4.31 -3.90 -4.88 4.15 2.85 -1.26 -4.95 115.26 102.96 2jm3 n ASN 24 Ca 0.02 -0.19 -0.34 0.00 -0.11 0.00 0.00 54.58 53.96 2jm3 n ASN 24 Cb 0.21 -3.25 -0.05 0.00 1.24 0.00 0.00 39.78 37.94 2jm3 n ASN 24 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2jm3 s ARG 25 N -5.68 3.64 -0.29 1.20 3.00 -1.26 -5.06 118.95 114.49 2jm3 s ARG 25 Ca 0.27 -0.02 -0.18 0.00 0.00 0.00 0.00 55.73 55.80 2jm3 s ARG 25 Cb -0.14 -3.01 -0.02 0.00 0.00 0.00 0.00 34.95 31.78 2jm3 s ARG 25 CO 0.33 0.59 0.52 -1.01 0.00 0.00 0.00 175.30 175.73 2jm3 s HIS 26 N -1.40 3.24 -0.29 -0.53 3.76 -1.26 -4.92 115.29 113.89 2jm3 s HIS 26 Ca 0.32 0.51 -0.29 0.00 -0.15 0.00 0.00 55.06 55.44 2jm3 s HIS 26 Cb -0.13 -2.80 0.01 0.00 1.11 0.00 0.00 32.58 30.77 2jm3 s HIS 26 CO 0.19 -0.37 1.11 -0.06 -0.85 0.00 0.00 174.74 174.76 2jm3 s PHE 27 N 2.36 3.11 0.64 1.40 0.08 -1.26 -2.74 117.98 121.56 2jm3 s PHE 27 Ca 0.21 1.19 -0.03 0.00 0.12 0.00 0.00 56.93 58.42 2jm3 s PHE 27 Cb -0.15 -3.63 0.05 0.00 -0.57 0.00 0.00 43.02 38.71 2jm3 s PHE 27 CO 0.11 -0.89 0.91 0.71 -0.10 0.00 0.00 175.22 175.95 2jm3 s TYR 28 N 3.65 2.81 0.00 0.36 2.02 0.80 -4.88 117.35 122.11 2jm3 s TYR 28 Ca 0.47 0.20 0.00 0.00 -0.37 0.00 0.00 57.07 57.37 2jm3 s TYR 28 Cb -0.14 -3.00 0.00 0.00 -0.40 0.00 0.00 41.96 38.43 2jm3 s TYR 28 CO 0.15 -1.19 0.00 0.54 -1.57 0.00 0.00 175.55 173.47 2jm3 n ARG 29 N -2.66 2.82 -3.51 -0.62 5.12 -1.26 -1.60 116.66 114.96 2jm3 n ARG 29 Ca 0.08 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.58 2jm3 n ARG 29 Cb 0.60 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.83 2jm3 n ARG 29 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2jm3 s ILE 30 N 1.66 4.51 -0.34 0.55 -1.09 -1.26 -4.55 121.20 120.67 2jm3 s ILE 30 Ca 0.00 -2.07 -0.39 0.00 -2.23 0.00 0.00 60.65 55.96 2jm3 s ILE 30 Cb 0.00 -3.92 -0.14 0.00 -1.58 0.00 0.00 42.46 36.82 2jm3 s ILE 30 CO 0.00 -0.85 1.99 -2.65 -1.23 0.00 0.00 174.94 172.20 2jm3 n PRO 31 N 4.55 0.95 -0.73 2.79 -0.02 -1.26 -4.84 135.00 136.44 2jm3 n PRO 31 Ca -0.02 0.30 0.08 0.00 -2.02 0.00 0.00 63.50 61.84 2jm3 n PRO 31 Cb 0.41 -2.16 0.36 0.00 -0.02 0.00 0.00 33.50 32.09 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 6.89 4.19 -3.37 -0.52 2.85 -1.26 -3.68 118.16 123.26 2jm3 n LYS 32 Ca 0.37 -3.04 -0.11 0.00 -1.05 0.00 0.00 58.31 54.48 2jm3 n LYS 32 Cb 0.14 -2.10 -0.09 0.00 -0.65 0.00 0.00 35.03 32.34 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 -2.71 0.33 0.82 -1.58 3.52 -1.26 -3.49 118.95 114.59 2jm3 s ARG 33 Ca 0.50 0.34 -0.11 0.00 -0.13 0.00 0.00 55.73 56.32 2jm3 s ARG 33 Cb 0.38 -0.58 0.09 0.00 -1.56 0.00 0.00 34.95 33.28 2jm3 s ARG 33 CO 0.14 -0.76 1.10 -1.25 -0.81 0.00 0.00 175.30 173.72 2jm3 s PRO 34 N 2.49 1.87 0.27 5.12 0.04 -1.26 -5.01 135.00 138.52 2jm3 s PRO 34 Ca 0.11 0.70 0.13 0.00 0.04 0.00 0.00 61.00 61.98 2jm3 s PRO 34 Cb -0.15 -1.89 0.26 0.00 0.04 0.00 0.00 34.50 32.76 2jm3 s PRO 34 CO -0.20 -1.79 1.53 1.25 0.04 0.00 0.00 177.00 177.84 2jm3 h LEU 35 N -1.21 0.00 -1.31 -3.56 5.85 -1.88 -2.79 115.31 110.40 2jm3 h LEU 35 Ca -0.48 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.19 2jm3 h LEU 35 Cb 1.27 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 2jm3 h LEU 35 CO 0.58 0.60 -0.08 0.40 -0.34 0.00 0.00 178.44 179.61 2jm3 h ILE 36 N 0.00 1.19 -0.29 4.05 1.08 -1.95 0.11 117.51 121.71 2jm3 h ILE 36 Ca -0.01 -0.79 -0.15 0.00 -0.39 0.00 0.00 64.86 63.52 2jm3 h ILE 36 Cb 1.26 1.09 -0.01 0.00 -3.07 0.00 0.00 36.82 36.10 2jm3 h ILE 36 CO 0.08 0.26 -0.44 0.25 -0.69 0.00 0.00 178.15 177.61 2jm3 h LEU 37 N 0.36 0.78 -0.65 1.44 6.46 -1.84 -0.03 115.31 121.83 2jm3 h LEU 37 Ca 0.07 -0.37 -0.05 0.00 -0.12 0.00 0.00 57.88 57.42 2jm3 h LEU 37 Cb 0.36 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.04 2jm3 h LEU 37 CO 0.02 1.10 0.22 -0.09 -0.62 0.00 0.00 178.44 179.07 2jm3 h ARG 38 N 0.58 1.00 -0.81 1.25 2.43 -1.16 0.33 114.38 117.99 2jm3 h ARG 38 Ca 0.04 -0.21 0.02 0.00 -0.81 0.00 0.00 59.98 59.03 2jm3 h ARG 38 Cb 0.99 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 30.35 2jm3 h ARG 38 CO 0.09 0.86 0.53 0.37 -1.51 0.00 0.00 179.97 180.31 2jm3 h GLN 39 N 0.93 1.01 -0.26 0.20 4.15 -0.56 -1.80 115.11 118.78 2jm3 h GLN 39 Ca 0.21 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 59.47 2jm3 h GLN 39 Cb 0.27 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 2jm3 h GLN 39 CO -0.01 0.67 -0.26 0.00 -1.93 0.00 0.00 178.83 177.30 2jm3 h ARG 40 N 1.04 0.50 -0.82 1.69 2.47 -0.36 -2.68 114.38 116.21 2jm3 h ARG 40 Ca 0.31 -0.19 0.08 0.00 -1.26 0.00 0.00 59.98 58.93 2jm3 h ARG 40 Cb -0.04 -0.03 -0.07 0.00 -1.65 0.00 0.00 29.97 28.18 2jm3 h ARG 40 CO -0.10 0.72 0.48 -1.49 0.56 0.00 0.00 179.97 180.14 2jm3 h TRP 41 N 0.44 0.88 0.00 3.04 4.06 0.43 -1.70 115.95 123.10 2jm3 h TRP 41 Ca 0.06 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.04 2jm3 h TRP 41 Cb 0.68 -0.27 0.00 0.00 -1.00 0.00 0.00 29.16 28.57 2jm3 h TRP 41 CO 0.02 0.39 0.00 -0.07 -3.56 0.00 0.00 178.44 175.23 2jm3 h LEU 42 N 0.84 0.00 -0.47 -4.49 3.38 -1.02 -3.09 115.31 110.47 2jm3 h LEU 42 Ca 0.38 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.41 2jm3 h LEU 42 Cb 0.29 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 2jm3 h LEU 42 CO -0.22 0.00 0.18 0.74 0.09 0.00 0.00 178.44 179.23 2jm3 h THR 43 N 0.00 0.86 0.01 0.22 2.02 -1.35 0.34 112.91 115.01 2jm3 h THR 43 Ca 0.00 -0.12 -0.28 0.00 0.77 0.00 0.00 66.41 66.78 2jm3 h THR 43 Cb 0.12 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 66.96 2jm3 h THR 43 CO 0.00 0.07 -1.57 0.00 0.37 0.00 0.00 175.52 174.39 2jm3 h ALA 44 N 1.30 0.67 0.00 6.16 0.00 -1.72 -3.30 119.26 122.37 2jm3 h ALA 44 Ca 0.22 -1.34 -0.05 0.00 0.00 0.00 0.00 54.91 53.74 2jm3 h ALA 44 Cb 0.21 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2jm3 h ALA 44 CO -0.21 1.50 -0.24 -0.84 0.00 0.00 0.00 179.25 179.46 2jm3 h ILE 45 N 0.00 0.41 -0.13 0.00 3.07 -1.62 -3.46 117.51 115.79 2jm3 h ILE 45 Ca -0.23 -1.55 -0.05 0.00 1.55 0.00 0.00 64.86 64.58 2jm3 h ILE 45 Cb 1.97 2.18 -0.02 0.00 -0.27 0.00 0.00 36.82 40.67 2jm3 h ILE 45 CO 0.09 0.23 -0.05 0.61 -1.05 0.00 0.00 178.15 177.98 2jm3 n GLY 46 N 1.10 0.52 3.94 0.16 0.00 0.10 -4.35 105.19 106.66 2jm3 n GLY 46 Ca 0.03 -0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.42 2.63 0.22 1.61 1.81 -1.22 -5.06 118.95 117.52 2jm3 s ARG 47 Ca 0.00 -0.29 0.00 0.00 -1.72 0.00 0.00 55.73 53.73 2jm3 s ARG 47 Cb 0.00 -2.31 -0.00 0.00 -0.45 0.00 0.00 34.95 32.19 2jm3 s ARG 47 CO 0.00 -0.83 0.00 0.25 -0.68 0.00 0.00 175.30 174.05 2jm3 n THR 48 N -2.59 0.00 1.19 0.02 -2.24 -1.26 -4.82 114.28 104.58 2jm3 n THR 48 Ca 0.06 -1.06 0.11 0.00 -2.27 0.00 0.00 64.05 60.88 2jm3 n THR 48 Cb 0.59 0.22 0.59 0.00 -2.10 0.00 0.00 70.33 69.63 2jm3 n THR 48 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2jm3 n GLU 49 N -0.55 0.51 -0.13 -0.78 0.00 -1.26 -1.58 120.64 116.85 2jm3 n GLU 49 Ca -0.09 0.04 -0.20 0.00 0.00 0.00 0.00 57.16 56.91 2jm3 n GLU 49 Cb 0.28 -1.50 -0.12 0.00 0.00 0.00 0.00 31.44 30.11 2jm3 n GLU 49 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 2jm3 n GLU 50 N -1.12 0.64 0.11 3.44 -0.00 -1.26 -4.41 120.64 118.04 2jm3 n GLU 50 Ca 0.13 0.17 -0.21 0.00 -0.00 0.00 0.00 57.16 57.26 2jm3 n GLU 50 Cb 0.11 -1.51 -0.13 0.00 -0.00 0.00 0.00 31.44 29.91 2jm3 n GLU 50 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 2jm3 h THR 51 N -0.19 1.35 0.00 3.84 1.35 -1.90 -3.28 112.91 114.07 2jm3 h THR 51 Ca -0.60 -2.69 0.00 0.00 -0.55 0.00 0.00 66.41 62.57 2jm3 h THR 51 Cb 1.84 2.84 0.00 0.00 -1.73 0.00 0.00 68.15 71.11 2jm3 h THR 51 CO -0.16 0.80 0.00 1.62 -0.25 0.00 0.00 175.52 177.54 2jm3 h VAL 52 N 0.18 0.00 -2.08 6.82 3.04 -1.55 -3.32 116.25 119.35 2jm3 h VAL 52 Ca -0.19 -0.54 -0.77 0.00 -1.01 0.00 0.00 66.70 64.20 2jm3 h VAL 52 Cb 1.98 1.53 -0.20 0.00 -2.01 0.00 0.00 31.29 32.59 2jm3 h VAL 52 CO 0.24 0.00 1.47 0.52 -1.01 0.00 0.00 177.57 178.79 2jm3 n VAL 53 N -3.05 4.56 -0.76 1.51 0.31 -1.24 -4.62 118.33 115.04 2jm3 n VAL 53 Ca 0.01 -4.89 0.00 0.00 -0.01 0.00 0.00 64.34 59.45 2jm3 n VAL 53 Cb 0.32 -2.34 0.00 0.00 -0.91 0.00 0.00 33.84 30.91 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 3.62 1.44 -0.32 4.52 3.41 -1.25 -4.98 113.62 120.06 2jm3 n SER 54 Ca 0.35 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.98 2jm3 n SER 54 Cb 0.37 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.38 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 1.35 -1.66 4.33 0.00 -1.26 -4.92 117.38 115.23 2jm3 n GLN 55 Ca 0.00 -0.46 -0.47 0.00 -0.00 0.00 0.00 57.00 56.07 2jm3 n GLN 55 Cb 0.00 -1.19 -0.05 0.00 0.00 0.00 0.00 30.24 29.00 2jm3 n GLN 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 2jm3 n LEU 56 N -0.09 2.84 -4.21 1.69 7.94 -1.26 -4.86 117.00 119.05 2jm3 n LEU 56 Ca 0.04 1.08 -0.15 0.00 -1.11 0.00 0.00 56.01 55.88 2jm3 n LEU 56 Cb 0.16 -1.38 -0.10 0.00 0.53 0.00 0.00 43.42 42.63 2jm3 n LEU 56 CO 0.03 -0.42 -0.42 -0.13 -1.11 0.00 0.00 177.39 175.35 2jm3 s ARG 57 N 1.02 0.95 -0.07 1.96 1.81 -1.24 -4.53 118.95 118.85 2jm3 s ARG 57 Ca 0.81 -1.29 0.01 0.00 -1.72 0.00 0.00 55.73 53.54 2jm3 s ARG 57 Cb -0.73 -0.59 0.02 0.00 -0.45 0.00 0.00 34.95 33.19 2jm3 s ARG 57 CO 0.40 0.08 -0.08 0.42 -0.68 0.00 0.00 175.30 175.45 2jm3 s ILE 58 N -2.80 0.87 0.51 1.52 -1.09 -0.62 -0.41 121.20 119.18 2jm3 s ILE 58 Ca 0.10 -0.29 -0.22 0.00 -2.23 0.00 0.00 60.65 58.02 2jm3 s ILE 58 Cb -0.01 -0.86 -0.06 0.00 -1.58 0.00 0.00 42.46 39.96 2jm3 s ILE 58 CO 0.00 0.31 1.22 0.00 -1.23 0.00 0.00 174.94 175.25 2jm3 n SER 60 N -0.89 0.60 0.00 0.00 3.41 -1.11 -2.07 113.62 113.56 2jm3 n SER 60 Ca 0.10 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.48 2jm3 n SER 60 Cb 0.48 -0.78 0.64 0.00 -0.26 0.00 0.00 64.21 64.29 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 -1.75 2.27 0.28 7.33 0.00 -1.26 -2.29 120.51 125.10 2jm3 n ALA 61 Ca 0.02 -0.13 0.06 0.00 0.00 0.00 0.00 53.44 53.40 2jm3 n ALA 61 Cb 0.22 -1.39 0.22 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 -1.20 0.86 -4.23 0.00 -0.00 -0.88 -4.75 115.22 105.02 2jm3 n HIS 62 Ca 0.14 -0.36 -0.20 0.00 -0.00 0.00 0.00 57.72 57.30 2jm3 n HIS 62 Cb 0.16 -0.13 -0.16 0.00 -0.00 0.00 0.00 29.99 29.85 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 0.82 -0.58 4.41 0.40 -0.97 0.12 117.98 120.53 2jm3 s PHE 63 Ca 0.32 -0.24 -0.26 0.00 -0.60 0.00 0.00 56.93 56.15 2jm3 s PHE 63 Cb 0.19 -0.69 -0.03 0.00 0.51 0.00 0.00 43.02 43.00 2jm3 s PHE 63 CO 0.17 -0.18 1.97 -1.83 0.70 0.00 0.00 175.22 176.04 2jm3 s GLU 64 N 0.79 2.53 0.00 0.44 -1.05 -1.26 -0.69 118.70 119.45 2jm3 s GLU 64 Ca -0.11 0.78 0.00 0.00 -0.15 0.00 0.00 54.97 55.49 2jm3 s GLU 64 Cb -0.14 -4.43 0.00 0.00 -0.44 0.00 0.00 34.13 29.13 2jm3 s GLU 64 CO 0.01 -2.83 0.00 0.41 0.95 0.00 0.00 175.26 173.79 2jm3 n GLY 65 N 5.76 1.16 2.13 -3.83 0.00 -1.26 -4.82 105.19 104.32 2jm3 n GLY 65 Ca 0.24 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.20 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 0.31 2.97 -0.02 0.00 0.13 -5.03 105.19 103.55 2jm3 n GLY 66 Ca 0.00 -0.68 -0.19 0.00 0.00 0.00 0.00 46.02 45.15 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 -3.82 0.74 -0.32 1.61 2.12 -1.26 -4.84 118.70 112.93 2jm3 s GLU 67 Ca 0.00 -0.23 -0.12 0.00 0.36 0.00 0.00 54.97 54.98 2jm3 s GLU 67 Cb 0.00 -0.71 -0.02 0.00 0.26 0.00 0.00 34.13 33.65 2jm3 s GLU 67 CO 0.00 0.09 0.22 0.21 -0.54 0.00 0.00 175.26 175.24 2jm3 s LYS 68 N 0.18 3.60 0.01 4.30 2.47 -1.26 -4.94 119.74 124.10 2jm3 s LYS 68 Ca -0.02 -0.57 0.00 0.00 -1.56 0.00 0.00 55.97 53.82 2jm3 s LYS 68 Cb -0.07 -3.74 0.00 0.00 -1.46 0.00 0.00 37.83 32.56 2jm3 s LYS 68 CO 0.00 -0.37 0.00 0.36 0.16 0.00 0.00 175.35 175.50 2jm3 n LYS 69 N 5.08 0.00 0.00 4.03 2.85 -1.26 -5.11 118.16 123.75 2jm3 n LYS 69 Ca -0.13 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.13 2jm3 n LYS 69 Cb 0.50 -0.02 0.00 0.00 -0.65 0.00 0.00 35.03 34.86 2jm3 n LYS 69 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2jm3 n GLU 70 N -2.56 0.00 -0.62 -1.58 4.71 -1.26 -4.94 120.64 114.39 2jm3 n GLU 70 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 57.08 2jm3 n GLU 70 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 31.44 30.45 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 5.00 3.12 3.69 0.62 0.00 -1.26 -4.89 105.19 111.47 2jm3 n GLY 71 Ca 0.00 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 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 1.13 7.18 -0.06 1.61 1.01 -1.26 -0.01 116.67 126.27 2jm3 s ASP 72 Ca 0.13 1.61 -0.02 0.00 0.71 0.00 0.00 52.55 54.99 2jm3 s ASP 72 Cb 0.10 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.44 2jm3 s ASP 72 CO 0.00 -0.50 0.04 -0.63 0.21 0.00 0.00 175.17 174.29 2jm3 s ILE 73 N 2.14 4.57 -0.07 0.77 1.01 0.16 -4.97 121.20 124.81 2jm3 s ILE 73 Ca 0.51 -0.27 -0.30 0.00 0.00 0.00 0.00 60.65 60.59 2jm3 s ILE 73 Cb -0.20 -2.99 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 2jm3 s ILE 73 CO 0.19 0.51 1.46 -2.16 0.00 0.00 0.00 174.94 174.93 2jm3 s PRO 74 N -1.22 4.23 0.24 2.79 0.04 -1.26 -4.21 135.00 135.61 2jm3 s PRO 74 Ca 0.17 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.17 2jm3 s PRO 74 Cb -0.12 -3.78 -0.04 0.00 0.04 0.00 0.00 34.50 30.61 2jm3 s PRO 74 CO 0.07 -0.71 0.42 0.14 0.04 0.00 0.00 177.00 176.95 2jm3 s VAL 75 N 3.31 5.19 -0.08 -0.36 -7.23 0.12 -4.62 120.40 116.73 2jm3 s VAL 75 Ca 0.65 -0.45 0.25 0.00 -1.81 0.00 0.00 61.98 60.62 2jm3 s VAL 75 Cb -0.29 -3.77 0.28 0.00 0.56 0.00 0.00 36.38 33.16 2jm3 s VAL 75 CO 0.24 -0.27 1.75 1.55 -0.31 0.00 0.00 175.10 178.06 2jm3 h PRO 76 N 1.66 0.00 -0.55 4.82 0.13 -1.89 -3.42 132.00 132.74 2jm3 h PRO 76 Ca -0.49 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.75 2jm3 h PRO 76 Cb 1.20 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.14 2jm3 h PRO 76 CO 0.66 0.14 -0.20 0.34 -0.23 0.00 0.00 178.00 178.71 2jm3 s ASP 77 N -6.10 -0.89 0.65 1.44 -1.08 -1.26 -4.89 116.67 104.54 2jm3 s ASP 77 Ca 0.03 -0.09 0.40 0.00 -0.52 0.00 0.00 52.55 52.38 2jm3 s ASP 77 Cb 0.08 1.40 2.23 0.00 -1.46 0.00 0.00 42.92 45.17 2jm3 s ASP 77 CO 0.64 -0.14 2.29 -0.65 0.52 0.00 0.00 175.17 177.83 2jm3 h PRO 78 N 7.04 0.00 0.00 4.34 0.11 -1.82 0.61 132.00 142.28 2jm3 h PRO 78 Ca -0.04 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.00 2jm3 h PRO 78 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2jm3 h PRO 78 CO 0.00 0.00 -0.41 1.79 -0.21 0.00 0.00 178.00 179.18 2jm3 h THR 79 N 0.00 0.60 0.00 -1.15 1.35 -1.97 -3.41 112.91 108.33 2jm3 h THR 79 Ca 0.00 -1.85 -0.11 0.00 -0.55 0.00 0.00 66.41 63.91 2jm3 h THR 79 Cb 0.11 2.28 -0.02 0.00 -1.73 0.00 0.00 68.15 68.79 2jm3 h THR 79 CO -0.00 0.34 -1.30 0.52 -0.25 0.00 0.00 175.52 174.83 2jm3 n VAL 80 N -3.17 0.43 -3.39 6.82 0.31 -0.02 -5.03 118.33 114.28 2jm3 n VAL 80 Ca 0.02 -0.06 -0.38 0.00 -0.01 0.00 0.00 64.34 63.91 2jm3 n VAL 80 Cb 0.68 -1.60 -0.06 0.00 -0.91 0.00 0.00 33.84 31.95 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 -5.63 6.90 -0.50 4.52 2.15 0.19 -5.00 116.67 119.30 2jm3 s ASP 81 Ca -0.09 1.09 -0.28 0.00 0.43 0.00 0.00 52.55 53.70 2jm3 s ASP 81 Cb 0.03 -2.29 -0.01 0.00 -0.30 0.00 0.00 42.92 40.35 2jm3 s ASP 81 CO 0.12 0.26 1.70 -0.54 -0.17 0.00 0.00 175.17 176.54 2jm3 s LYS 82 N -1.31 3.06 -0.15 4.34 -0.14 -1.26 -4.37 119.74 119.91 2jm3 s LYS 82 Ca 0.29 0.83 -0.14 0.00 -1.36 0.00 0.00 55.97 55.60 2jm3 s LYS 82 Cb -0.17 -4.24 -0.06 0.00 -1.68 0.00 0.00 37.83 31.67 2jm3 s LYS 82 CO 0.17 -2.21 0.60 0.94 -0.76 0.00 0.00 175.35 174.10 2jm3 n GLN 83 N 8.76 0.00 -2.67 1.68 -0.06 -1.26 -4.85 117.38 118.98 2jm3 n GLN 83 Ca 0.19 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.77 2jm3 n GLN 83 Cb 0.50 -0.46 -0.03 0.00 -4.06 0.00 0.00 30.24 26.19 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 1.54 4.75 0.05 1.69 1.01 -1.26 -5.00 121.20 123.98 2jm3 s ILE 84 Ca 0.35 2.00 0.00 0.00 0.00 0.00 0.00 60.65 63.01 2jm3 s ILE 84 Cb -0.46 -4.29 -0.03 0.00 0.01 0.00 0.00 42.46 37.69 2jm3 s ILE 84 CO 0.22 0.04 -0.04 -1.59 0.00 0.00 0.00 174.94 173.56 2jm3 s LYS 85 N 1.80 0.53 -0.08 2.79 0.00 -1.26 -0.66 119.74 122.87 2jm3 s LYS 85 Ca 0.50 -0.97 0.04 0.00 0.00 0.00 0.00 55.97 55.54 2jm3 s LYS 85 Cb -0.20 0.04 -0.01 0.00 0.00 0.00 0.00 37.83 37.66 2jm3 s LYS 85 CO 0.21 -0.05 -0.21 0.42 0.00 0.00 0.00 175.35 175.72 2jm3 s ILE 86 N -2.70 2.43 -0.63 3.79 1.01 0.99 -4.97 121.20 121.13 2jm3 s ILE 86 Ca -0.02 -0.92 -0.21 0.00 0.00 0.00 0.00 60.65 59.50 2jm3 s ILE 86 Cb -0.01 -1.93 0.08 0.00 0.01 0.00 0.00 42.46 40.61 2jm3 s ILE 86 CO -0.05 0.56 0.87 -1.61 0.00 0.00 0.00 174.94 174.71 2jm3 s GLU 87 N -0.06 3.10 0.25 2.79 2.02 -1.26 -4.05 118.70 121.48 2jm3 s GLU 87 Ca -0.05 -0.97 0.08 0.00 0.02 0.00 0.00 54.97 54.04 2jm3 s GLU 87 Cb -0.14 -4.23 -0.05 0.00 0.10 0.00 0.00 34.13 29.80 2jm3 s GLU 87 CO 0.04 -1.70 -0.11 -0.48 0.02 0.00 0.00 175.26 173.04 2jm3 s LEU 88 N 3.58 2.53 -0.16 1.80 2.34 -1.26 -5.09 118.68 122.41 2jm3 s LEU 88 Ca 0.19 -1.10 -0.37 0.00 0.06 0.00 0.00 54.13 52.90 2jm3 s LEU 88 Cb -0.19 -0.70 -0.14 0.00 -0.56 0.00 0.00 46.19 44.60 2jm3 s LEU 88 CO 0.09 -0.23 1.75 -2.65 -1.06 0.00 0.00 176.35 174.25 2jm3 n PRO 89 N -0.50 1.57 -0.32 1.48 -0.02 -1.26 -4.85 135.00 131.10 2jm3 n PRO 89 Ca -0.06 0.58 0.16 0.00 -2.02 0.00 0.00 63.50 62.15 2jm3 n PRO 89 Cb 0.62 -2.32 0.40 0.00 -0.02 0.00 0.00 33.50 32.17 2jm3 n PRO 89 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2jm3 h PRO 90 N 7.66 0.61 0.00 0.52 0.13 -2.01 -3.51 132.00 135.40 2jm3 h PRO 90 Ca -0.47 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2jm3 h PRO 90 Cb 1.30 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2jm3 h PRO 90 CO 0.94 0.40 0.00 1.63 -0.23 0.00 0.00 178.00 180.74