#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jm5 s MET 2 N 0.00 2.23 -0.20 1.43 0.23 -1.26 -4.70 119.30 117.03 2jm5 s MET 2 Ca 0.00 -0.98 -0.04 0.00 -1.03 0.00 0.00 55.69 53.63 2jm5 s MET 2 Cb 0.00 -2.36 -0.02 0.00 -1.53 0.00 0.00 34.83 30.92 2jm5 s MET 2 CO 0.00 0.51 -0.02 0.54 -2.03 0.00 0.00 175.02 174.02 2jm5 s VAL 3 N -1.25 3.72 0.47 5.16 0.11 -1.26 -5.03 120.40 122.32 2jm5 s VAL 3 Ca 0.23 -0.39 -0.22 0.00 -2.93 0.00 0.00 61.98 58.66 2jm5 s VAL 3 Cb -0.11 -2.68 -0.07 0.00 -1.53 0.00 0.00 36.38 31.98 2jm5 s VAL 3 CO 0.15 0.43 1.13 -0.44 -3.33 0.00 0.00 175.10 173.04 2jm5 s SER 4 N 1.11 6.20 0.48 3.54 0.01 -1.26 -4.82 113.70 118.97 2jm5 s SER 4 Ca 0.02 2.20 0.24 0.00 1.31 0.00 0.00 55.95 59.72 2jm5 s SER 4 Cb -0.14 -2.59 1.29 0.00 0.21 0.00 0.00 66.02 64.78 2jm5 s SER 4 CO 0.01 -0.89 1.88 1.55 0.41 0.00 0.00 173.24 176.20 2jm5 h PRO 5 N 1.92 0.19 0.00 12.44 0.13 -1.91 0.15 132.00 144.91 2jm5 h PRO 5 Ca -0.49 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.55 2jm5 h PRO 5 Cb 1.24 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2jm5 h PRO 5 CO 0.60 0.12 -0.87 1.05 -0.23 0.00 0.00 178.00 178.67 2jm5 h GLU 6 N 0.19 0.00 -0.25 0.86 9.09 -1.91 0.11 114.58 122.67 2jm5 h GLU 6 Ca 0.44 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.75 2jm5 h GLU 6 Cb 1.40 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.50 2jm5 h GLU 6 CO -0.09 0.21 -0.22 1.49 0.05 0.00 0.00 179.01 180.45 2jm5 h GLU 7 N 0.00 0.59 -0.19 1.06 4.57 -1.44 -2.28 114.58 116.89 2jm5 h GLU 7 Ca -0.05 -0.30 -0.01 0.00 -1.18 0.00 0.00 59.36 57.81 2jm5 h GLU 7 Cb 1.28 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.87 2jm5 h GLU 7 CO 0.03 0.89 0.07 0.00 -1.18 0.00 0.00 179.01 178.82 2jm5 h ALA 8 N 0.69 0.25 0.00 2.92 0.00 -0.65 -2.45 119.26 120.02 2jm5 h ALA 8 Ca 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2jm5 h ALA 8 Cb 0.76 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2jm5 h ALA 8 CO 0.06 -0.15 -0.07 -0.39 0.00 0.00 0.00 179.25 178.70 2jm5 h VAL 9 N 0.15 1.02 0.00 0.00 -1.51 -0.78 -0.84 116.25 114.29 2jm5 h VAL 9 Ca 0.06 -0.24 -0.04 0.00 -1.23 0.00 0.00 66.70 65.25 2jm5 h VAL 9 Cb 0.19 1.13 -0.01 0.00 -2.13 0.00 0.00 31.29 30.47 2jm5 h VAL 9 CO -0.00 0.07 -0.21 0.50 -1.23 0.00 0.00 177.57 176.69 2jm5 h LYS 10 N 0.00 0.00 0.00 5.19 1.63 -0.94 -0.19 116.57 122.26 2jm5 h LYS 10 Ca -0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 2jm5 h LYS 10 Cb 0.12 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.75 2jm5 h LYS 10 CO 0.01 0.21 -0.06 -1.49 -3.45 0.00 0.00 179.45 174.67 2jm5 h TRP 11 N 0.00 0.00 0.00 1.91 6.55 -0.87 -3.14 115.95 120.40 2jm5 h TRP 11 Ca -0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 2jm5 h TRP 11 Cb 0.69 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.99 2jm5 h TRP 11 CO 0.00 0.06 0.00 0.41 -1.05 0.00 0.00 178.44 177.86 2jm5 n GLY 12 N 0.17 -0.77 0.00 1.49 0.00 -0.08 -2.24 105.19 103.75 2jm5 n GLY 12 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2jm5 n GLY 12 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2jm5 n GLU 13 N -0.93 1.86 -3.42 1.61 0.28 -1.19 -4.99 120.64 113.86 2jm5 n GLU 13 Ca 0.16 -0.13 -0.20 0.00 -0.16 0.00 0.00 57.16 56.84 2jm5 n GLU 13 Cb 0.07 -0.50 -0.10 0.00 1.43 0.00 0.00 31.44 32.34 2jm5 n GLU 13 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2jm5 s SER 14 N -0.30 1.95 0.39 -1.84 0.01 -0.95 -4.99 113.70 107.96 2jm5 s SER 14 Ca 0.00 -1.04 0.07 0.00 1.31 0.00 0.00 55.95 56.28 2jm5 s SER 14 Cb 0.00 0.34 0.80 0.00 0.21 0.00 0.00 66.02 67.37 2jm5 s SER 14 CO 0.00 -0.37 2.01 0.15 0.41 0.00 0.00 173.24 175.44 2jm5 h PHE 15 N 8.03 0.64 -0.28 2.43 3.57 -1.92 -1.73 116.94 127.68 2jm5 h PHE 15 Ca -0.10 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.36 2jm5 h PHE 15 Cb 1.06 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 2jm5 h PHE 15 CO 0.30 0.37 -0.04 0.38 -2.23 0.00 0.00 178.31 177.08 2jm5 h ASP 16 N 0.66 0.41 -0.18 0.41 2.03 -1.94 0.95 116.42 118.76 2jm5 h ASP 16 Ca 0.23 -0.08 -0.06 0.00 -0.73 0.00 0.00 57.03 56.39 2jm5 h ASP 16 Cb 0.11 -0.11 -0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2jm5 h ASP 16 CO -0.06 0.51 -0.14 0.50 -1.03 0.00 0.00 179.24 179.01 2jm5 h LYS 17 N 0.41 0.41 -0.26 4.15 3.64 -1.70 -0.76 116.57 122.46 2jm5 h LYS 17 Ca 0.09 -0.20 0.05 0.00 -1.27 0.00 0.00 60.65 59.32 2jm5 h LYS 17 Cb 0.35 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.11 2jm5 h LYS 17 CO 0.01 0.75 -0.08 1.25 -2.27 0.00 0.00 179.45 179.12 2jm5 h LEU 18 N 0.07 -0.27 -1.12 5.20 5.85 -1.02 -1.87 115.31 122.15 2jm5 h LEU 18 Ca 0.03 0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 2jm5 h LEU 18 Cb 0.67 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 2jm5 h LEU 18 CO 0.04 -0.10 -0.34 0.25 -0.34 0.00 0.00 178.44 177.95 2jm5 h LEU 19 N -0.02 0.18 0.00 2.25 5.85 -0.72 -2.07 115.31 120.78 2jm5 h LEU 19 Ca 0.13 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2jm5 h LEU 19 Cb 0.21 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.19 2jm5 h LEU 19 CO -0.28 0.51 -0.17 -1.20 -0.34 0.00 0.00 178.44 176.96 2jm5 n SER 20 N -4.10 0.43 -4.79 1.25 7.64 -0.30 -4.14 113.62 109.60 2jm5 n SER 20 Ca -0.01 0.35 -0.38 0.00 1.01 0.00 0.00 58.87 59.83 2jm5 n SER 20 Cb 0.41 -0.37 -0.06 0.00 -1.01 0.00 0.00 64.21 63.19 2jm5 n SER 20 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2jm5 s HIS 21 N -3.05 3.82 0.03 1.43 5.04 -0.75 -4.95 115.29 116.84 2jm5 s HIS 21 Ca 0.11 1.55 -0.25 0.00 -1.54 0.00 0.00 55.06 54.94 2jm5 s HIS 21 Cb 0.16 -2.72 -0.18 0.00 0.04 0.00 0.00 32.58 29.88 2jm5 s HIS 21 CO 0.61 0.45 1.48 0.00 -2.34 0.00 0.00 174.74 174.93 2jm5 h ARG 22 N 4.01 -0.05 0.00 2.88 3.08 -1.86 0.37 114.38 122.81 2jm5 h ARG 22 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2jm5 h ARG 22 Cb 1.20 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.26 2jm5 h ARG 22 CO 0.66 0.21 0.00 -0.40 -1.07 0.00 0.00 179.97 179.37 2jm5 n ASP 23 N -4.99 0.00 -0.08 7.04 5.68 -1.26 -2.36 116.55 120.58 2jm5 n ASP 23 Ca -0.08 -0.09 -0.22 0.00 -0.50 0.00 0.00 54.79 53.91 2jm5 n ASP 23 Cb 0.16 -0.28 -0.12 0.00 -1.14 0.00 0.00 41.12 39.74 2jm5 n ASP 23 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2jm5 h GLY 24 N 4.11 0.07 2.00 6.12 0.00 -1.50 -0.96 103.07 112.90 2jm5 h GLY 24 Ca 0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 2jm5 h GLY 24 CO 0.00 0.15 -0.29 0.17 0.00 0.00 0.00 176.54 176.57 2jm5 h LEU 25 N -0.79 0.00 -0.46 3.11 -0.00 -0.45 0.10 115.31 116.83 2jm5 h LEU 25 Ca -0.35 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.49 2jm5 h LEU 25 Cb 1.44 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.08 2jm5 h LEU 25 CO -0.14 0.29 0.12 -0.08 -0.00 0.00 0.00 178.44 178.63 2jm5 h GLU 26 N 0.00 0.72 -0.45 0.17 4.57 -1.57 0.39 114.58 118.42 2jm5 h GLU 26 Ca -0.00 -0.17 -0.04 0.00 -1.18 0.00 0.00 59.36 57.97 2jm5 h GLU 26 Cb 0.54 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 2jm5 h GLU 26 CO 0.04 0.71 0.11 0.00 -1.18 0.00 0.00 179.01 178.69 2jm5 h ALA 27 N 0.98 0.59 -0.26 2.92 0.00 0.28 -2.63 119.26 121.15 2jm5 h ALA 27 Ca 0.15 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 2jm5 h ALA 27 Cb 0.30 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2jm5 h ALA 27 CO -0.00 0.27 -0.55 0.35 0.00 0.00 0.00 179.25 179.32 2jm5 h PHE 28 N 0.59 1.04 -0.72 0.00 3.57 -0.88 -2.74 116.94 117.80 2jm5 h PHE 28 Ca 0.14 -0.38 -0.01 0.00 3.53 0.00 0.00 57.97 61.24 2jm5 h PHE 28 Cb 0.32 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 2jm5 h PHE 28 CO 0.02 1.20 0.39 0.00 -2.23 0.00 0.00 178.31 177.70 2jm5 h THR 29 N 0.58 1.22 -0.49 4.41 1.03 -0.20 0.28 112.91 119.74 2jm5 h THR 29 Ca 0.00 -0.54 -0.01 0.00 -0.01 0.00 0.00 66.41 65.86 2jm5 h THR 29 Cb 1.16 0.24 -0.02 0.00 -1.07 0.00 0.00 68.15 68.45 2jm5 h THR 29 CO 0.12 0.24 0.26 0.03 -0.01 0.00 0.00 175.52 176.16 2jm5 h ARG 30 N 1.01 0.70 -0.46 0.00 3.08 -1.35 0.11 114.38 117.47 2jm5 h ARG 30 Ca 0.26 -0.09 -0.12 0.00 0.07 0.00 0.00 59.98 60.10 2jm5 h ARG 30 Cb 0.02 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 2jm5 h ARG 30 CO -0.04 0.56 -0.18 0.35 -1.07 0.00 0.00 179.97 179.59 2jm5 h PHE 31 N 0.66 1.07 0.00 3.04 3.57 -1.08 -1.27 116.94 122.93 2jm5 h PHE 31 Ca 0.17 -0.25 -0.05 0.00 3.53 0.00 0.00 57.97 61.37 2jm5 h PHE 31 Cb 0.08 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 2jm5 h PHE 31 CO -0.01 1.05 -0.25 1.25 -2.23 0.00 0.00 178.31 178.11 2jm5 h LEU 32 N 0.78 0.00 0.02 0.59 5.85 0.06 0.48 115.31 123.09 2jm5 h LEU 32 Ca 0.11 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.64 2jm5 h LEU 32 Cb 0.74 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.79 2jm5 h LEU 32 CO 0.06 0.25 -0.77 0.11 -0.34 0.00 0.00 178.44 177.75 2jm5 h LYS 33 N 0.00 0.48 -0.19 1.25 1.57 -0.49 0.44 116.57 119.63 2jm5 h LYS 33 Ca -0.00 -0.55 -0.12 0.00 -1.87 0.00 0.00 60.65 58.11 2jm5 h LYS 33 Cb 0.55 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 2jm5 h LYS 33 CO 0.03 1.19 -0.39 0.00 -0.57 0.00 0.00 179.45 179.71 2jm5 h THR 34 N 0.01 1.30 0.00 -0.16 1.03 -0.78 -2.16 112.91 112.16 2jm5 h THR 34 Ca -0.10 -1.52 -0.05 0.00 -0.01 0.00 0.00 66.41 64.73 2jm5 h THR 34 Cb 1.47 1.58 -0.01 0.00 -1.07 0.00 0.00 68.15 70.13 2jm5 h THR 34 CO 0.15 0.47 -0.24 -0.08 -0.01 0.00 0.00 175.52 175.81 2jm5 h GLU 35 N 0.36 0.00 -4.25 0.00 4.81 -0.99 -3.48 114.58 111.02 2jm5 h GLU 35 Ca 0.03 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.16 2jm5 h GLU 35 Cb 0.84 0.00 0.08 0.00 0.63 0.00 0.00 28.75 30.31 2jm5 h GLU 35 CO 0.07 0.24 -0.36 1.19 -0.73 0.00 0.00 179.01 179.42 2jm5 n PHE 36 N -3.21 -1.32 -1.89 0.92 3.01 -0.37 -4.98 117.46 109.61 2jm5 n PHE 36 Ca 0.02 0.47 0.00 0.00 1.01 0.00 0.00 57.45 58.95 2jm5 n PHE 36 Cb 0.57 -3.25 0.00 0.00 -0.01 0.00 0.00 39.48 36.79 2jm5 n PHE 36 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2jm5 n SER 37 N -2.20 0.00 0.34 4.37 7.64 0.14 -4.92 113.62 118.98 2jm5 n SER 37 Ca -0.03 -1.84 0.20 0.00 1.01 0.00 0.00 58.87 58.20 2jm5 n SER 37 Cb 0.55 -0.17 1.06 0.00 -1.01 0.00 0.00 64.21 64.64 2jm5 n SER 37 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2jm5 h GLU 38 N 0.00 0.00 -0.92 1.43 4.11 -1.73 -2.34 114.58 115.13 2jm5 h GLU 38 Ca 0.00 0.00 0.24 0.00 0.07 0.00 0.00 59.36 59.67 2jm5 h GLU 38 Cb 1.34 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.46 2jm5 h GLU 38 CO 0.00 0.00 0.42 1.49 0.07 0.00 0.00 179.01 180.99 2jm5 h GLU 39 N 0.00 0.37 0.11 1.06 4.22 -1.91 -1.03 114.58 117.39 2jm5 h GLU 39 Ca 0.00 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.41 2jm5 h GLU 39 Cb 0.27 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2jm5 h GLU 39 CO 0.00 0.24 -0.05 -0.91 -2.18 0.00 0.00 179.01 176.11 2jm5 h ASN 40 N 0.38 -0.12 -0.66 1.04 -0.26 -1.80 0.57 115.58 114.73 2jm5 h ASN 40 Ca 0.60 -0.22 -0.07 0.00 -0.56 0.00 0.00 56.30 56.04 2jm5 h ASN 40 Cb 1.18 0.03 -0.03 0.00 -1.06 0.00 0.00 38.32 38.45 2jm5 h ASN 40 CO -0.55 0.16 0.15 -0.29 -1.06 0.00 0.00 177.43 175.83 2jm5 h ILE 41 N -0.41 1.26 0.00 2.81 6.09 -1.58 -1.77 117.51 123.91 2jm5 h ILE 41 Ca -0.01 -0.97 0.00 0.00 -1.37 0.00 0.00 64.86 62.51 2jm5 h ILE 41 Cb 0.34 0.62 0.00 0.00 0.47 0.00 0.00 36.82 38.25 2jm5 h ILE 41 CO 0.02 0.37 0.00 -0.33 -3.07 0.00 0.00 178.15 175.14 2jm5 h GLU 42 N 0.99 0.00 0.60 2.19 5.08 -1.18 -2.14 114.58 120.12 2jm5 h GLU 42 Ca 0.20 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 2jm5 h GLU 42 Cb 0.38 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.64 2jm5 h GLU 42 CO 0.01 0.00 -0.29 0.35 -1.00 0.00 0.00 179.01 178.08 2jm5 h PHE 43 N 0.00 -0.74 0.00 4.33 3.57 0.04 -0.84 116.94 123.30 2jm5 h PHE 43 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2jm5 h PHE 43 Cb 0.73 0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.72 2jm5 h PHE 43 CO 0.00 -0.46 0.00 -2.67 -2.23 0.00 0.00 178.31 172.95 2jm5 n TRP 44 N -4.58 0.89 0.11 0.41 4.27 -1.13 -1.69 117.44 115.72 2jm5 n TRP 44 Ca -0.10 0.27 0.02 0.00 -3.89 0.00 0.00 57.50 53.80 2jm5 n TRP 44 Cb 0.32 -0.94 0.37 0.00 -1.36 0.00 0.00 31.31 29.69 2jm5 n TRP 44 CO 0.00 0.00 0.00 0.82 -2.29 0.00 0.00 177.69 176.22 2jm5 h ILE 45 N 0.00 1.19 -0.06 -1.67 2.04 -1.37 0.31 117.51 117.95 2jm5 h ILE 45 Ca 0.00 -0.82 -0.23 0.00 1.00 0.00 0.00 64.86 64.81 2jm5 h ILE 45 Cb 0.67 1.21 0.01 0.00 -0.74 0.00 0.00 36.82 37.97 2jm5 h ILE 45 CO 0.00 0.26 -0.89 0.00 0.00 0.00 0.00 178.15 177.52 2jm5 h ALA 46 N 1.62 0.32 -0.52 1.87 0.00 -0.23 -2.71 119.26 119.61 2jm5 h ALA 46 Ca 0.05 -0.66 -0.09 0.00 0.00 0.00 0.00 54.91 54.21 2jm5 h ALA 46 Cb 0.39 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2jm5 h ALA 46 CO 0.02 0.73 -0.03 0.00 0.00 0.00 0.00 179.25 179.97 2jm5 h GLU 48 N 0.82 0.64 -0.02 0.00 4.39 -0.48 0.32 114.58 120.25 2jm5 h GLU 48 Ca 0.15 -0.37 -0.04 0.00 0.34 0.00 0.00 59.36 59.44 2jm5 h GLU 48 Cb 0.54 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 2jm5 h GLU 48 CO 0.03 0.98 -0.20 0.22 -1.16 0.00 0.00 179.01 178.88 2jm5 h ASP 49 N 0.51 0.02 0.18 1.42 3.58 -1.12 -1.15 116.42 119.86 2jm5 h ASP 49 Ca 0.03 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 2jm5 h ASP 49 Cb 1.02 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.07 2jm5 h ASP 49 CO 0.10 0.22 -0.09 0.15 -2.88 0.00 0.00 179.24 176.74 2jm5 h PHE 50 N 0.02 -0.23 0.00 0.28 3.57 -0.24 -3.29 116.94 117.06 2jm5 h PHE 50 Ca 0.00 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 2jm5 h PHE 50 Cb 0.36 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 2jm5 h PHE 50 CO 0.00 0.15 -0.02 -0.22 -2.23 0.00 0.00 178.31 175.99 2jm5 h LYS 51 N -0.94 0.00 -0.43 1.11 3.11 -0.29 -0.19 116.57 118.94 2jm5 h LYS 51 Ca -0.02 0.00 0.08 0.00 -2.81 0.00 0.00 60.65 57.89 2jm5 h LYS 51 Cb 0.48 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.68 2jm5 h LYS 51 CO 0.04 0.02 0.29 -0.22 -2.81 0.00 0.00 179.45 176.77 2jm5 h LYS 52 N 0.00 0.24 -6.40 1.90 3.64 -1.27 -3.41 116.57 111.27 2jm5 h LYS 52 Ca -0.00 -0.01 -0.55 0.00 -1.27 0.00 0.00 60.65 58.82 2jm5 h LYS 52 Cb 0.04 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 2jm5 h LYS 52 CO 0.00 0.16 0.03 -1.12 -2.27 0.00 0.00 179.45 176.25 2jm5 s SER 53 N -6.48 7.07 0.00 4.20 0.01 -0.09 -4.96 113.70 113.46 2jm5 s SER 53 Ca -0.07 1.34 0.02 0.00 1.31 0.00 0.00 55.95 58.56 2jm5 s SER 53 Cb 0.19 -2.39 -0.00 0.00 0.21 0.00 0.00 66.02 64.03 2jm5 s SER 53 CO 0.72 0.16 0.35 2.29 0.41 0.00 0.00 173.24 177.18 2jm5 n LYS 54 N 1.23 2.52 -2.48 12.44 0.00 -1.26 -4.94 118.16 125.66 2jm5 n LYS 54 Ca -0.06 -0.35 -0.43 0.00 -0.00 0.00 0.00 58.31 57.47 2jm5 n LYS 54 Cb 0.51 -0.84 -0.02 0.00 -0.00 0.00 0.00 35.03 34.67 2jm5 n LYS 54 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2jm5 s GLY 55 N -0.65 1.44 0.38 2.58 0.00 -1.26 -4.91 107.32 104.89 2jm5 s GLY 55 Ca 0.02 0.07 0.05 0.00 0.00 0.00 0.00 44.72 44.86 2jm5 s GLY 55 CO 0.06 2.50 2.03 -2.55 0.00 0.00 0.00 173.10 175.13 2jm5 h PRO 56 N 8.91 0.69 -0.32 2.90 0.11 -1.99 0.03 132.00 142.34 2jm5 h PRO 56 Ca -0.25 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.78 2jm5 h PRO 56 Cb 1.09 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 2jm5 h PRO 56 CO 1.03 0.46 0.04 0.37 -0.21 0.00 0.00 178.00 179.69 2jm5 h GLN 57 N 0.71 0.54 -0.51 1.05 4.15 -1.99 -2.41 115.11 116.64 2jm5 h GLN 57 Ca 0.20 -0.15 0.02 0.00 0.77 0.00 0.00 58.65 59.49 2jm5 h GLN 57 Cb -0.06 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.54 2jm5 h GLN 57 CO -0.04 0.63 0.34 0.37 -1.93 0.00 0.00 178.83 178.20 2jm5 h GLN 58 N 0.36 0.59 -0.13 1.69 5.75 -1.65 -0.90 115.11 120.82 2jm5 h GLN 58 Ca 0.10 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.58 2jm5 h GLN 58 Cb 0.36 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 2jm5 h GLN 58 CO 0.01 0.39 -0.00 0.82 -2.65 0.00 0.00 178.83 177.40 2jm5 h ILE 59 N 0.61 0.90 -0.86 2.39 1.08 -0.57 0.72 117.51 121.79 2jm5 h ILE 59 Ca 0.20 -0.01 0.06 0.00 -0.39 0.00 0.00 64.86 64.72 2jm5 h ILE 59 Cb 0.05 0.86 -0.06 0.00 -3.07 0.00 0.00 36.82 34.60 2jm5 h ILE 59 CO -0.05 0.01 0.53 0.45 -0.69 0.00 0.00 178.15 178.40 2jm5 h HIS 60 N 0.04 0.99 0.52 1.37 3.86 -0.78 0.18 115.15 121.33 2jm5 h HIS 60 Ca 0.06 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.28 2jm5 h HIS 60 Cb 0.08 -0.32 0.01 0.00 1.06 0.00 0.00 27.41 28.23 2jm5 h HIS 60 CO -0.15 0.50 -0.25 -0.07 0.86 0.00 0.00 177.93 178.82 2jm5 h LEU 61 N 0.97 -0.59 -1.04 2.43 3.38 -1.10 -2.36 115.31 117.00 2jm5 h LEU 61 Ca 0.38 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.42 2jm5 h LEU 61 Cb 0.18 0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 2jm5 h LEU 61 CO -0.17 -0.26 0.64 0.11 0.09 0.00 0.00 178.44 178.84 2jm5 h LYS 62 N -1.03 1.16 -0.25 1.13 1.57 -0.74 -0.99 116.57 117.43 2jm5 h LYS 62 Ca -0.07 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.60 2jm5 h LYS 62 Cb 0.54 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2jm5 h LYS 62 CO 0.12 0.77 0.01 0.00 -0.57 0.00 0.00 179.45 179.78 2jm5 h ALA 63 N 1.45 0.33 -0.16 3.86 0.00 -0.71 -0.40 119.26 123.63 2jm5 h ALA 63 Ca 0.41 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2jm5 h ALA 63 Cb 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2jm5 h ALA 63 CO -0.15 0.05 -0.10 -0.22 0.00 0.00 0.00 179.25 178.83 2jm5 h LYS 64 N 0.22 0.25 0.69 0.00 1.63 -1.02 0.29 116.57 118.64 2jm5 h LYS 64 Ca 0.07 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.78 2jm5 h LYS 64 Cb 0.38 -0.04 0.01 0.00 -0.60 0.00 0.00 32.23 31.98 2jm5 h LYS 64 CO 0.01 0.37 -0.33 0.00 -3.45 0.00 0.00 179.45 176.05 2jm5 h ALA 65 N 1.66 -0.93 -0.46 5.00 0.00 -0.88 -2.77 119.26 120.88 2jm5 h ALA 65 Ca 0.05 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.79 2jm5 h ALA 65 Cb 0.34 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2jm5 h ALA 65 CO 0.02 -0.89 0.31 0.82 0.00 0.00 0.00 179.25 179.51 2jm5 h ILE 66 N -1.20 1.03 0.50 0.00 2.04 -0.74 0.04 117.51 119.19 2jm5 h ILE 66 Ca -0.10 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 2jm5 h ILE 66 Cb 0.73 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 2jm5 h ILE 66 CO 0.16 0.09 -0.49 0.22 0.00 0.00 0.00 178.15 178.12 2jm5 h TYR 67 N 0.49 -1.36 0.00 1.37 3.20 -0.43 0.18 116.97 120.41 2jm5 h TYR 67 Ca 0.19 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.07 2jm5 h TYR 67 Cb 0.15 0.53 0.00 0.00 1.54 0.00 0.00 36.73 38.95 2jm5 h TYR 67 CO -0.00 -0.66 -0.00 0.39 -1.64 0.00 0.00 178.16 176.24 2jm5 n GLU 68 N -5.56 0.07 0.00 1.82 1.02 -0.86 -0.68 120.64 116.46 2jm5 n GLU 68 Ca -0.12 0.06 -0.10 0.00 -0.02 0.00 0.00 57.16 56.98 2jm5 n GLU 68 Cb 0.46 -1.59 -0.14 0.00 -0.02 0.00 0.00 31.44 30.15 2jm5 n GLU 68 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2jm5 h LYS 69 N 0.00 0.04 0.00 3.49 1.63 -0.78 -3.42 116.57 117.54 2jm5 h LYS 69 Ca 0.00 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 2jm5 h LYS 69 Cb 0.57 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.23 2jm5 h LYS 69 CO 0.00 0.69 -0.17 1.19 -3.45 0.00 0.00 179.45 177.71 2jm5 n PHE 70 N -3.17 -0.91 0.29 1.91 3.72 0.62 -2.63 117.46 117.28 2jm5 n PHE 70 Ca -0.15 0.16 0.16 0.00 -0.05 0.00 0.00 57.45 57.57 2jm5 n PHE 70 Cb 1.03 0.35 0.88 0.00 -0.94 0.00 0.00 39.48 40.80 2jm5 n PHE 70 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 2jm5 h ILE 71 N 0.00 0.36 -3.89 4.37 1.08 -0.70 -2.22 117.51 116.51 2jm5 h ILE 71 Ca 0.00 -0.29 -0.52 0.00 -0.39 0.00 0.00 64.86 63.66 2jm5 h ILE 71 Cb 0.17 1.21 0.06 0.00 -3.07 0.00 0.00 36.82 35.19 2jm5 h ILE 71 CO 0.00 0.05 0.58 -1.10 -0.69 0.00 0.00 178.15 176.99 2jm5 s GLN 72 N -4.22 4.28 0.06 2.37 -1.52 -0.07 -4.88 119.66 115.70 2jm5 s GLN 72 Ca -0.03 2.06 -0.15 0.00 -1.95 0.00 0.00 55.36 55.28 2jm5 s GLN 72 Cb 0.13 -2.96 -0.22 0.00 -0.22 0.00 0.00 33.01 29.73 2jm5 s GLN 72 CO 0.53 -0.19 1.18 1.15 -0.25 0.00 0.00 175.29 177.71 2jm5 h THR 73 N 2.81 1.31 -0.96 -0.19 2.02 -1.92 -3.11 112.91 112.89 2jm5 h THR 73 Ca -0.49 -2.15 -0.50 0.00 0.77 0.00 0.00 66.41 64.04 2jm5 h THR 73 Cb 1.23 2.37 -0.30 0.00 -1.74 0.00 0.00 68.15 69.72 2jm5 h THR 73 CO 0.65 0.66 0.64 0.47 0.37 0.00 0.00 175.52 178.31 2jm5 n ASP 74 N -3.97 3.91 -4.84 4.18 8.00 -1.26 -4.75 116.55 117.82 2jm5 n ASP 74 Ca -0.10 -3.55 -0.30 0.00 0.71 0.00 0.00 54.79 51.55 2jm5 n ASP 74 Cb 0.81 -0.83 0.07 0.00 -0.02 0.00 0.00 41.12 41.14 2jm5 n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jm5 s ALA 75 N -3.18 2.55 -0.22 2.24 0.00 -1.17 -4.95 121.76 117.02 2jm5 s ALA 75 Ca 0.55 -0.23 0.29 0.00 0.00 0.00 0.00 51.96 52.56 2jm5 s ALA 75 Cb 0.46 -3.08 1.07 0.00 0.00 0.00 0.00 23.12 21.57 2jm5 s ALA 75 CO 0.10 -1.44 1.84 -1.00 0.00 0.00 0.00 175.76 175.25 2jm5 h PRO 76 N -0.88 0.00 -1.73 0.00 0.13 -1.80 -3.15 132.00 124.57 2jm5 h PRO 76 Ca -0.46 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.18 2jm5 h PRO 76 Cb 1.26 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.98 2jm5 h PRO 76 CO 0.61 0.00 -1.00 1.17 -0.23 0.00 0.00 178.00 178.55 2jm5 n LYS 77 N -2.76 1.90 -1.67 0.86 3.00 -1.08 -5.09 118.16 113.33 2jm5 n LYS 77 Ca 0.02 -3.85 -0.44 0.00 -0.00 0.00 0.00 58.31 54.04 2jm5 n LYS 77 Cb 0.32 -1.79 -0.03 0.00 0.00 0.00 0.00 35.03 33.53 2jm5 n LYS 77 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2jm5 n GLU 78 N -0.04 2.68 -3.15 1.64 0.00 -1.19 -4.09 120.64 116.48 2jm5 n GLU 78 Ca 0.24 0.98 -0.39 0.00 0.00 0.00 0.00 57.16 57.99 2jm5 n GLU 78 Cb 0.64 -2.90 -0.06 0.00 0.00 0.00 0.00 31.44 29.13 2jm5 n GLU 78 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2jm5 s VAL 79 N 3.96 4.62 0.00 3.84 1.01 -0.83 -4.94 120.40 128.06 2jm5 s VAL 79 Ca 0.88 1.41 0.00 0.00 0.00 0.00 0.00 61.98 64.27 2jm5 s VAL 79 Cb -0.51 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 31.87 2jm5 s VAL 79 CO 0.43 0.52 1.16 0.59 0.00 0.00 0.00 175.10 177.80 2jm5 n ASN 80 N 1.82 3.31 -4.77 3.32 3.02 -1.26 -4.91 115.26 115.78 2jm5 n ASN 80 Ca -0.08 -1.94 -0.35 0.00 -0.03 0.00 0.00 54.58 52.18 2jm5 n ASN 80 Cb 0.50 -0.61 0.01 0.00 -0.61 0.00 0.00 39.78 39.07 2jm5 n ASN 80 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2jm5 s LEU 81 N 0.00 3.73 0.38 3.41 2.96 -1.26 -4.97 118.68 122.93 2jm5 s LEU 81 Ca 0.00 2.23 -0.27 0.00 -0.22 0.00 0.00 54.13 55.87 2jm5 s LEU 81 Cb 0.00 -4.59 -0.11 0.00 0.50 0.00 0.00 46.19 41.99 2jm5 s LEU 81 CO 0.00 -1.31 1.26 -0.67 -1.32 0.00 0.00 176.35 174.31 2jm5 n ASP 82 N -1.37 2.58 -0.34 3.68 2.03 -1.26 -4.85 116.55 117.01 2jm5 n ASP 82 Ca 0.12 1.15 0.01 0.00 0.52 0.00 0.00 54.79 56.59 2jm5 n ASP 82 Cb 0.51 -1.48 0.17 0.00 -0.72 0.00 0.00 41.12 39.59 2jm5 n ASP 82 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 2jm5 h PHE 83 N 2.28 1.17 0.02 -0.67 -5.15 -1.99 -1.00 116.94 111.59 2jm5 h PHE 83 Ca -0.47 0.03 -0.26 0.00 -0.20 0.00 0.00 57.97 57.07 2jm5 h PHE 83 Cb 1.29 -0.39 0.01 0.00 0.22 0.00 0.00 35.95 37.09 2jm5 h PHE 83 CO 0.49 0.68 -1.04 1.25 -2.00 0.00 0.00 178.31 177.69 2jm5 h HIS 84 N 1.21 0.86 0.35 6.09 2.76 -1.99 -1.58 115.15 122.85 2jm5 h HIS 84 Ca 0.38 -0.48 -0.02 0.00 -2.20 0.00 0.00 60.37 58.05 2jm5 h HIS 84 Cb -0.00 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 28.87 2jm5 h HIS 84 CO -0.00 1.32 -0.17 1.15 -1.30 0.00 0.00 177.93 178.93 2jm5 h THR 85 N 0.31 0.66 -0.50 6.26 2.02 -1.87 -1.70 112.91 118.09 2jm5 h THR 85 Ca -0.12 -0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 2jm5 h THR 85 Cb 1.69 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.74 2jm5 h THR 85 CO 0.19 0.00 0.19 0.07 0.37 0.00 0.00 175.52 176.34 2jm5 h LYS 86 N -0.47 0.72 0.10 6.66 2.10 -1.22 -2.31 116.57 122.15 2jm5 h LYS 86 Ca -0.05 -0.11 0.02 0.00 -2.00 0.00 0.00 60.65 58.51 2jm5 h LYS 86 Cb 0.36 -0.13 -0.03 0.00 -0.90 0.00 0.00 32.23 31.53 2jm5 h LYS 86 CO 0.08 0.60 -0.21 1.49 -2.00 0.00 0.00 179.45 179.41 2jm5 h GLU 87 N 0.71 -0.38 -0.60 0.07 4.57 -1.01 0.86 114.58 118.81 2jm5 h GLU 87 Ca 0.17 0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.36 2jm5 h GLU 87 Cb 0.16 0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 2jm5 h GLU 87 CO -0.01 -0.25 0.30 0.28 -1.18 0.00 0.00 179.01 178.15 2jm5 h VAL 88 N -0.39 1.19 -0.29 0.32 2.07 -1.01 -1.79 116.25 116.35 2jm5 h VAL 88 Ca 0.03 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 2jm5 h VAL 88 Cb 0.42 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 2jm5 h VAL 88 CO -0.13 0.22 0.07 0.40 0.02 0.00 0.00 177.57 178.15 2jm5 h ILE 89 N 0.83 1.22 -0.00 4.57 2.04 -0.85 -0.34 117.51 124.98 2jm5 h ILE 89 Ca 0.21 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.35 2jm5 h ILE 89 Cb 0.06 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 2jm5 h ILE 89 CO -0.03 0.24 0.00 0.71 0.00 0.00 0.00 178.15 179.07 2jm5 h THR 90 N 0.31 0.87 0.00 -0.27 1.35 -0.01 0.18 112.91 115.33 2jm5 h THR 90 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.95 2jm5 h THR 90 Cb 0.29 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 2jm5 h THR 90 CO 0.00 0.00 -0.98 0.59 -0.25 0.00 0.00 175.52 174.89 2jm5 n ASN 91 N -4.34 0.65 -0.02 5.36 3.02 -0.87 -4.23 115.26 114.82 2jm5 n ASN 91 Ca -0.03 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.54 2jm5 n ASN 91 Cb 0.09 0.63 0.02 0.00 -0.61 0.00 0.00 39.78 39.91 2jm5 n ASN 91 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2jm5 n SER 92 N -2.17 1.79 0.21 6.41 7.64 -0.17 -4.62 113.62 122.71 2jm5 n SER 92 Ca 0.01 -2.05 0.10 0.00 1.01 0.00 0.00 58.87 57.95 2jm5 n SER 92 Cb 0.47 -0.07 0.21 0.00 -1.01 0.00 0.00 64.21 63.81 2jm5 n SER 92 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 2jm5 h ILE 93 N 0.47 0.26 -0.26 0.44 6.09 -0.86 -2.87 117.51 120.79 2jm5 h ILE 93 Ca 0.00 -1.27 0.07 0.00 -1.37 0.00 0.00 64.86 62.29 2jm5 h ILE 93 Cb 0.64 2.04 -0.01 0.00 0.47 0.00 0.00 36.82 39.97 2jm5 h ILE 93 CO 0.00 0.14 0.20 0.00 -3.07 0.00 0.00 178.15 175.42 2jm5 h THR 94 N 0.00 0.78 -2.38 2.19 1.03 -1.84 -3.29 112.91 109.41 2jm5 h THR 94 Ca -0.00 0.00 -0.59 0.00 -0.01 0.00 0.00 66.41 65.81 2jm5 h THR 94 Cb 1.03 0.86 -0.38 0.00 -1.07 0.00 0.00 68.15 68.58 2jm5 h THR 94 CO 0.02 0.00 -0.95 0.00 -0.01 0.00 0.00 175.52 174.57 2jm5 n GLN 95 N -4.33 0.40 -2.12 0.00 6.02 -1.08 -5.10 117.38 111.18 2jm5 n GLN 95 Ca 0.03 -3.31 -0.32 0.00 -0.01 0.00 0.00 57.00 53.39 2jm5 n GLN 95 Cb 0.35 -1.68 -0.00 0.00 1.02 0.00 0.00 30.24 29.92 2jm5 n GLN 95 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2jm5 s PRO 96 N -0.23 3.55 0.15 -1.09 0.04 -1.24 -4.98 135.00 131.21 2jm5 s PRO 96 Ca 0.33 1.04 0.01 0.00 0.04 0.00 0.00 61.00 62.41 2jm5 s PRO 96 Cb 0.05 -2.07 -0.00 0.00 0.04 0.00 0.00 34.50 32.51 2jm5 s PRO 96 CO -0.19 -0.61 0.03 0.25 0.04 0.00 0.00 177.00 176.53 2jm5 n THR 97 N -2.04 0.00 0.31 1.26 -2.24 -1.26 -4.80 114.28 105.51 2jm5 n THR 97 Ca 0.07 -0.83 0.14 0.00 -2.27 0.00 0.00 64.05 61.17 2jm5 n THR 97 Cb 0.53 0.25 0.65 0.00 -2.10 0.00 0.00 70.33 69.67 2jm5 n THR 97 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2jm5 h LEU 98 N 0.00 0.00 -5.43 3.22 5.85 -1.97 -3.07 115.31 113.91 2jm5 h LEU 98 Ca -0.12 0.00 -0.45 0.00 0.84 0.00 0.00 57.88 58.15 2jm5 h LEU 98 Cb 0.43 0.00 -0.40 0.00 0.37 0.00 0.00 40.66 41.06 2jm5 h LEU 98 CO 0.20 0.00 -1.12 1.41 -0.34 0.00 0.00 178.44 178.59 2jm5 n HIS 99 N -2.55 1.11 0.85 1.25 8.25 -1.26 -4.47 115.22 118.40 2jm5 n HIS 99 Ca 0.00 -3.37 0.10 0.00 -0.26 0.00 0.00 57.72 54.20 2jm5 n HIS 99 Cb 0.18 -0.39 0.48 0.00 1.12 0.00 0.00 29.99 31.39 2jm5 n HIS 99 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2jm5 n SER 100 N 0.05 0.00 -0.43 0.41 7.64 -1.16 -2.24 113.62 117.89 2jm5 n SER 100 Ca 0.20 0.23 0.07 0.00 1.01 0.00 0.00 58.87 60.38 2jm5 n SER 100 Cb 0.70 -0.39 0.15 0.00 -1.01 0.00 0.00 64.21 63.67 2jm5 n SER 100 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2jm5 n PHE 101 N -1.39 0.00 0.09 1.43 3.72 -1.26 -4.82 117.46 115.24 2jm5 n PHE 101 Ca 0.08 -1.12 -0.13 0.00 -0.05 0.00 0.00 57.45 56.22 2jm5 n PHE 101 Cb 0.20 -0.19 -0.08 0.00 -0.94 0.00 0.00 39.48 38.47 2jm5 n PHE 101 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 2jm5 h ASP 102 N 0.51 -0.15 0.21 4.37 3.58 -1.82 0.22 116.42 123.34 2jm5 h ASP 102 Ca -0.02 -0.12 -0.11 0.00 0.42 0.00 0.00 57.03 57.20 2jm5 h ASP 102 Cb 1.09 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.16 2jm5 h ASP 102 CO 0.01 0.03 -0.43 0.00 -2.88 0.00 0.00 179.24 175.97 2jm5 h ALA 103 N 0.52 1.06 -0.26 -0.78 0.00 -1.87 -2.44 119.26 115.48 2jm5 h ALA 103 Ca -0.02 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.35 2jm5 h ALA 103 Cb 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2jm5 h ALA 103 CO 0.03 0.61 -0.31 0.00 0.00 0.00 0.00 179.25 179.58 2jm5 h ALA 104 N 1.33 0.99 -0.82 0.00 0.00 -1.81 0.03 119.26 118.97 2jm5 h ALA 104 Ca 0.02 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 2jm5 h ALA 104 Cb 0.85 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 2jm5 h ALA 104 CO 0.07 0.60 0.39 0.37 0.00 0.00 0.00 179.25 180.67 2jm5 h GLN 105 N 0.46 1.18 -0.01 0.00 4.15 -0.08 0.98 115.11 121.81 2jm5 h GLN 105 Ca 0.06 -0.18 -0.18 0.00 0.77 0.00 0.00 58.65 59.12 2jm5 h GLN 105 Cb 0.76 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.23 2jm5 h GLN 105 CO 0.06 0.91 -0.82 0.77 -1.93 0.00 0.00 178.83 177.83 2jm5 h SER 106 N 1.17 0.18 -0.54 -0.69 0.02 -1.21 0.56 113.55 113.04 2jm5 h SER 106 Ca 0.28 -0.14 -0.11 0.00 -0.84 0.00 0.00 61.79 60.99 2jm5 h SER 106 Cb 0.13 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 2jm5 h SER 106 CO -0.03 0.92 -0.08 0.03 -1.14 0.00 0.00 176.83 176.53 2jm5 h ARG 107 N 0.08 1.00 -0.09 3.45 -0.00 -0.58 -1.45 114.38 116.81 2jm5 h ARG 107 Ca -0.03 -0.36 -0.24 0.00 -0.50 0.00 0.00 59.98 58.85 2jm5 h ARG 107 Cb 1.42 -0.07 0.01 0.00 0.00 0.00 0.00 29.97 31.34 2jm5 h ARG 107 CO 0.12 1.04 -0.89 0.28 0.00 0.00 0.00 179.97 180.52 2jm5 h VAL 108 N 0.88 1.28 -0.41 2.04 2.07 -0.62 -1.98 116.25 119.51 2jm5 h VAL 108 Ca 0.14 -2.10 0.04 0.00 0.82 0.00 0.00 66.70 65.60 2jm5 h VAL 108 Cb 0.64 2.16 -0.04 0.00 -1.52 0.00 0.00 31.29 32.53 2jm5 h VAL 108 CO 0.04 0.66 0.17 0.22 0.02 0.00 0.00 177.57 178.68 2jm5 h TYR 109 N 0.47 0.30 0.00 1.57 5.03 -0.83 -2.03 116.97 121.48 2jm5 h TYR 109 Ca -0.08 0.02 -0.08 0.00 2.58 0.00 0.00 58.73 61.17 2jm5 h TYR 109 Cb 1.53 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 39.72 2jm5 h TYR 109 CO 0.09 0.13 -0.36 -0.56 -1.32 0.00 0.00 178.16 176.14 2jm5 h GLN 110 N 0.35 0.00 0.27 1.82 3.07 -1.24 -1.48 115.11 117.89 2jm5 h GLN 110 Ca 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.92 2jm5 h GLN 110 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.69 2jm5 h GLN 110 CO -0.17 0.36 -0.26 -0.07 0.09 0.00 0.00 178.83 178.78 2jm5 h LEU 111 N 0.00 -0.69 0.00 0.06 3.38 -0.62 -2.31 115.31 115.13 2jm5 h LEU 111 Ca -0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2jm5 h LEU 111 Cb 0.77 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2jm5 h LEU 111 CO 0.05 -0.34 -0.01 1.15 0.09 0.00 0.00 178.44 179.37 2jm5 n MET 112 N -3.90 0.15 0.12 1.13 0.00 -1.07 -2.45 117.12 111.09 2jm5 n MET 112 Ca -0.06 0.12 -0.05 0.00 0.00 0.00 0.00 57.70 57.71 2jm5 n MET 112 Cb 0.24 -1.67 -0.02 0.00 0.00 0.00 0.00 33.22 31.77 2jm5 n MET 112 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 2jm5 h GLU 113 N 0.00 -0.29 0.00 3.17 4.22 -1.16 0.39 114.58 120.91 2jm5 h GLU 113 Ca 0.00 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.46 2jm5 h GLU 113 Cb 0.63 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2jm5 h GLU 113 CO 0.00 -0.19 0.00 -0.56 -2.18 0.00 0.00 179.01 176.08 2jm5 h GLN 114 N -0.33 0.00 0.00 1.92 3.07 -1.47 -2.53 115.11 115.77 2jm5 h GLN 114 Ca -0.03 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.56 2jm5 h GLN 114 Cb 0.23 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.77 2jm5 h GLN 114 CO 0.05 0.00 -1.32 -3.47 0.09 0.00 0.00 178.83 174.18 2jm5 n ASP 115 N -2.50 1.54 0.00 0.06 2.03 -1.02 -4.78 116.55 111.87 2jm5 n ASP 115 Ca 0.02 0.26 -0.01 0.00 0.52 0.00 0.00 54.79 55.58 2jm5 n ASP 115 Cb 0.27 -0.60 -0.11 0.00 -0.72 0.00 0.00 41.12 39.96 2jm5 n ASP 115 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2jm5 n SER 116 N -4.03 0.58 0.05 1.67 7.64 -0.00 -4.21 113.62 115.32 2jm5 n SER 116 Ca -0.23 0.25 -0.00 0.00 1.01 0.00 0.00 58.87 59.91 2jm5 n SER 116 Cb 0.55 0.57 0.30 0.00 -1.01 0.00 0.00 64.21 64.61 2jm5 n SER 116 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 2jm5 h TYR 117 N 0.00 0.41 -0.45 1.43 3.20 0.13 0.35 116.97 122.04 2jm5 h TYR 117 Ca -0.22 -0.06 -0.08 0.00 3.14 0.00 0.00 58.73 61.51 2jm5 h TYR 117 Cb 1.64 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.78 2jm5 h TYR 117 CO 0.00 0.53 -0.05 1.79 -1.64 0.00 0.00 178.16 178.79 2jm5 h THR 118 N 0.36 1.27 -0.19 1.81 1.35 -1.74 0.69 112.91 116.45 2jm5 h THR 118 Ca 0.07 -1.13 -0.10 0.00 -0.55 0.00 0.00 66.41 64.70 2jm5 h THR 118 Cb 0.48 1.09 -0.01 0.00 -1.73 0.00 0.00 68.15 67.98 2jm5 h THR 118 CO 0.03 0.39 -0.33 0.03 -0.25 0.00 0.00 175.52 175.39 2jm5 h ARG 119 N 0.66 0.40 -0.80 4.72 3.08 -1.52 -1.93 114.38 118.98 2jm5 h ARG 119 Ca 0.12 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 2jm5 h ARG 119 Cb 0.56 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.56 2jm5 h ARG 119 CO 0.03 0.68 0.43 0.35 -1.07 0.00 0.00 179.97 180.39 2jm5 h PHE 120 N 0.34 1.12 0.00 3.04 3.57 0.18 0.46 116.94 125.65 2jm5 h PHE 120 Ca 0.04 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 2jm5 h PHE 120 Cb 0.75 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 2jm5 h PHE 120 CO 0.02 0.79 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.79 2jm5 h LEU 121 N 1.12 0.00 -3.11 0.59 3.38 -0.08 -0.29 115.31 116.93 2jm5 h LEU 121 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 2jm5 h LEU 121 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2jm5 h LEU 121 CO -0.04 0.03 0.00 0.29 0.09 0.00 0.00 178.44 178.81 2jm5 n LYS 122 N -3.98 2.85 -1.79 1.13 4.01 -0.80 -4.67 118.16 114.91 2jm5 n LYS 122 Ca -0.03 -2.51 -0.31 0.00 -0.51 0.00 0.00 58.31 54.95 2jm5 n LYS 122 Cb 0.11 -1.60 0.03 0.00 -0.51 0.00 0.00 35.03 33.06 2jm5 n LYS 122 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 2jm5 s SER 123 N -1.61 5.72 0.22 4.39 1.04 0.15 -4.86 113.70 118.76 2jm5 s SER 123 Ca 0.34 1.62 -0.07 0.00 0.48 0.00 0.00 55.95 58.32 2jm5 s SER 123 Cb 0.25 -2.50 0.19 0.00 0.10 0.00 0.00 66.02 64.06 2jm5 s SER 123 CO 0.11 -1.21 1.80 0.44 0.98 0.00 0.00 173.24 175.36 2jm5 h ASP 124 N -0.26 1.09 -0.40 7.02 5.19 -1.87 0.24 116.42 127.43 2jm5 h ASP 124 Ca -0.45 -0.15 -0.11 0.00 -0.62 0.00 0.00 57.03 55.70 2jm5 h ASP 124 Cb 1.21 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.42 2jm5 h ASP 124 CO 0.58 0.95 -0.17 -0.29 -3.12 0.00 0.00 179.24 177.19 2jm5 h ILE 125 N 1.17 1.28 0.08 0.35 -0.00 -1.87 0.20 117.51 118.71 2jm5 h ILE 125 Ca 0.27 -1.29 -0.26 0.00 -0.00 0.00 0.00 64.86 63.58 2jm5 h ILE 125 Cb 0.17 1.26 0.01 0.00 -0.00 0.00 0.00 36.82 38.26 2jm5 h ILE 125 CO -0.03 0.43 -1.12 0.22 -0.00 0.00 0.00 178.15 177.66 2jm5 h TYR 126 N 0.64 0.65 0.00 2.19 3.20 -1.68 -2.42 116.97 119.56 2jm5 h TYR 126 Ca 0.09 -0.41 -0.03 0.00 3.14 0.00 0.00 58.73 61.52 2jm5 h TYR 126 Cb 0.72 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.93 2jm5 h TYR 126 CO 0.06 1.27 -0.15 -0.07 -1.64 0.00 0.00 178.16 177.62 2jm5 h LEU 127 N 0.18 0.00 -0.33 2.82 3.38 -0.47 0.10 115.31 121.00 2jm5 h LEU 127 Ca -0.12 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.70 2jm5 h LEU 127 Cb 1.79 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.54 2jm5 h LEU 127 CO 0.19 0.15 -0.36 -0.78 0.09 0.00 0.00 178.44 177.74 2jm5 h ASP 128 N 0.00 0.89 -0.43 -0.43 1.82 -0.49 0.20 116.42 117.98 2jm5 h ASP 128 Ca -0.00 -0.48 -0.06 0.00 -0.39 0.00 0.00 57.03 56.10 2jm5 h ASP 128 Cb 0.39 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 40.12 2jm5 h ASP 128 CO 0.02 1.19 0.07 -0.07 -1.61 0.00 0.00 179.24 178.83 2jm5 h LEU 129 N 0.61 0.74 0.00 2.28 3.38 -0.67 -1.36 115.31 120.29 2jm5 h LEU 129 Ca 0.05 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2jm5 h LEU 129 Cb 0.95 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2jm5 h LEU 129 CO 0.09 0.76 -0.00 0.24 0.09 0.00 0.00 178.44 179.62 2jm5 h MET 130 N 0.75 -0.00 0.00 1.13 2.86 -0.67 -3.39 114.93 115.60 2jm5 h MET 130 Ca 0.16 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.77 2jm5 h MET 130 Cb 0.35 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 2jm5 h MET 130 CO 0.01 -0.00 -1.10 -1.91 1.06 0.00 0.00 176.91 174.96 2jm5 n GLU 131 N -2.01 3.54 0.00 1.72 2.13 0.54 -4.91 120.64 121.66 2jm5 n GLU 131 Ca -0.00 -0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2jm5 n GLU 131 Cb 0.00 -1.04 0.00 0.00 0.27 0.00 0.00 31.44 30.67 2jm5 n GLU 131 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jm5 n GLY 132 N 2.94 0.99 3.72 8.31 0.00 -0.21 -4.96 105.19 115.99 2jm5 n GLY 132 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2jm5 n GLY 132 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jm5 s ARG 133 N -0.50 4.56 0.00 1.61 3.52 -1.08 -4.71 118.95 122.36 2jm5 s ARG 133 Ca 0.00 1.25 0.32 0.00 -0.13 0.00 0.00 55.73 57.17 2jm5 s ARG 133 Cb 0.00 -3.41 1.84 0.00 -1.56 0.00 0.00 34.95 31.82 2jm5 s ARG 133 CO 0.00 0.12 2.19 -2.30 -0.81 0.00 0.00 175.30 174.51