#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jm5 n MET 2 N 0.00 -2.14 -4.13 1.43 2.81 -1.26 -5.04 117.12 108.79 2jm5 n MET 2 Ca 0.00 1.89 -0.35 0.00 -1.81 0.00 0.00 57.70 57.43 2jm5 n MET 2 Cb 0.00 -3.17 -0.12 0.00 -0.71 0.00 0.00 33.22 29.22 2jm5 n MET 2 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2jm5 s VAL 3 N -0.55 4.14 0.46 2.03 0.11 -1.26 -5.09 120.40 120.23 2jm5 s VAL 3 Ca -0.09 -0.26 -0.24 0.00 -2.93 0.00 0.00 61.98 58.47 2jm5 s VAL 3 Cb 0.01 -2.86 -0.07 0.00 -1.53 0.00 0.00 36.38 31.92 2jm5 s VAL 3 CO 0.41 0.44 1.29 -0.55 -3.33 0.00 0.00 175.10 173.36 2jm5 s SER 4 N 0.75 5.96 0.54 3.54 0.15 -1.26 -4.79 113.70 118.60 2jm5 s SER 4 Ca 0.01 2.60 0.30 0.00 0.70 0.00 0.00 55.95 59.56 2jm5 s SER 4 Cb -0.14 -2.63 1.46 0.00 -1.71 0.00 0.00 66.02 63.00 2jm5 s SER 4 CO 0.02 -1.08 1.92 -0.65 1.20 0.00 0.00 173.24 174.64 2jm5 h PRO 5 N 2.15 0.00 -0.03 5.44 0.11 -1.86 0.27 132.00 138.08 2jm5 h PRO 5 Ca -0.50 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 2jm5 h PRO 5 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 2jm5 h PRO 5 CO 0.60 0.00 0.01 0.93 -0.21 0.00 0.00 178.00 179.33 2jm5 h GLU 6 N 0.00 0.04 -0.10 1.05 5.08 -1.89 0.25 114.58 119.01 2jm5 h GLU 6 Ca 0.35 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.57 2jm5 h GLU 6 Cb 1.46 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 2jm5 h GLU 6 CO -0.00 0.28 -0.50 1.49 -1.00 0.00 0.00 179.01 179.27 2jm5 h GLU 7 N -0.19 0.27 -0.35 2.33 4.57 -1.37 -2.57 114.58 117.26 2jm5 h GLU 7 Ca 0.01 -0.15 -0.12 0.00 -1.18 0.00 0.00 59.36 57.92 2jm5 h GLU 7 Cb 0.25 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 2jm5 h GLU 7 CO 0.00 0.71 -0.24 0.00 -1.18 0.00 0.00 179.01 178.30 2jm5 h ALA 8 N 1.26 0.50 0.00 2.92 0.00 -0.39 -2.64 119.26 120.92 2jm5 h ALA 8 Ca 0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2jm5 h ALA 8 Cb 0.96 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2jm5 h ALA 8 CO 0.08 0.49 -0.05 -0.39 0.00 0.00 0.00 179.25 179.37 2jm5 h VAL 9 N 0.57 0.48 -0.30 0.00 -1.51 -0.25 0.06 116.25 115.31 2jm5 h VAL 9 Ca 0.07 -0.25 0.01 0.00 -1.23 0.00 0.00 66.70 65.29 2jm5 h VAL 9 Cb 0.80 1.17 -0.01 0.00 -2.13 0.00 0.00 31.29 31.12 2jm5 h VAL 9 CO 0.07 0.05 0.20 0.11 -1.23 0.00 0.00 177.57 176.77 2jm5 h LYS 10 N 0.00 0.37 0.00 5.19 6.56 -1.08 0.08 116.57 127.68 2jm5 h LYS 10 Ca -0.00 -0.02 -0.08 0.00 -1.06 0.00 0.00 60.65 59.49 2jm5 h LYS 10 Cb 0.16 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 31.73 2jm5 h LYS 10 CO 0.01 0.24 -0.39 -1.49 -2.06 0.00 0.00 179.45 175.77 2jm5 h TRP 11 N 0.38 0.00 -0.00 -1.35 6.55 -0.96 -1.74 115.95 118.83 2jm5 h TRP 11 Ca 0.11 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.95 2jm5 h TRP 11 Cb -0.01 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.29 2jm5 h TRP 11 CO -0.00 0.39 -0.06 0.41 -1.05 0.00 0.00 178.44 178.13 2jm5 n GLY 12 N 0.47 -1.08 0.03 1.49 0.00 -0.02 -2.85 105.19 103.23 2jm5 n GLY 12 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.09 0.79 -3.15 1.61 0.28 -0.97 -4.97 120.64 113.15 2jm5 n GLU 13 Ca 0.15 -0.44 0.04 0.00 -0.16 0.00 0.00 57.16 56.76 2jm5 n GLU 13 Cb 0.25 -0.91 -0.00 0.00 1.43 0.00 0.00 31.44 32.20 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 -1.34 0.49 -1.84 0.01 -0.69 -5.02 113.70 105.01 2jm5 s SER 14 Ca 0.01 0.24 0.14 0.00 1.31 0.00 0.00 55.95 57.65 2jm5 s SER 14 Cb 0.01 1.88 1.15 0.00 0.21 0.00 0.00 66.02 69.28 2jm5 s SER 14 CO 0.02 -0.25 2.11 0.15 0.41 0.00 0.00 173.24 175.68 2jm5 h PHE 15 N 7.86 0.10 -0.36 2.43 3.57 -1.86 -1.97 116.94 126.71 2jm5 h PHE 15 Ca -0.05 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.37 2jm5 h PHE 15 Cb 1.18 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.87 2jm5 h PHE 15 CO 0.16 0.09 -0.12 0.38 -2.23 0.00 0.00 178.31 176.59 2jm5 h ASP 16 N 0.10 0.61 1.01 0.41 2.03 -1.95 -0.33 116.42 118.30 2jm5 h ASP 16 Ca 0.03 -0.17 -0.17 0.00 -0.73 0.00 0.00 57.03 55.99 2jm5 h ASP 16 Cb 0.04 -0.16 -0.03 0.00 -0.83 0.00 0.00 39.33 38.34 2jm5 h ASP 16 CO -0.00 0.76 -1.06 0.07 -1.03 0.00 0.00 179.24 177.98 2jm5 h LYS 17 N 0.57 0.00 0.19 4.15 2.10 -1.75 -1.77 116.57 120.07 2jm5 h LYS 17 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.76 2jm5 h LYS 17 Cb 0.54 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.85 2jm5 h LYS 17 CO 0.03 0.53 -0.20 1.25 -2.00 0.00 0.00 179.45 179.05 2jm5 h LEU 18 N 0.00 -0.55 -1.25 7.07 5.85 -1.08 -0.66 115.31 124.69 2jm5 h LEU 18 Ca -0.09 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 2jm5 h LEU 18 Cb 1.61 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.82 2jm5 h LEU 18 CO 0.07 -0.30 -0.30 0.25 -0.34 0.00 0.00 178.44 177.82 2jm5 h LEU 19 N -0.44 0.00 -2.35 2.25 5.85 -1.06 -2.25 115.31 117.31 2jm5 h LEU 19 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2jm5 h LEU 19 Cb 0.41 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2jm5 h LEU 19 CO -0.06 0.30 0.00 -1.20 -0.34 0.00 0.00 178.44 177.14 2jm5 n SER 20 N -3.66 3.52 -4.62 1.25 7.64 -0.67 -4.47 113.62 112.61 2jm5 n SER 20 Ca -0.01 -2.00 -0.35 0.00 1.01 0.00 0.00 58.87 57.53 2jm5 n SER 20 Cb 0.42 -0.26 -0.10 0.00 -1.01 0.00 0.00 64.21 63.26 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 -1.48 3.23 0.23 1.43 5.65 -0.27 -4.99 115.29 119.09 2jm5 s HIS 21 Ca 0.39 0.04 -0.07 0.00 0.25 0.00 0.00 55.06 55.67 2jm5 s HIS 21 Cb 0.23 -2.09 0.28 0.00 -1.18 0.00 0.00 32.58 29.82 2jm5 s HIS 21 CO 0.32 0.12 1.86 -0.09 -0.65 0.00 0.00 174.74 176.30 2jm5 h ARG 22 N 6.78 0.96 0.00 2.88 1.12 -1.88 0.32 114.38 124.57 2jm5 h ARG 22 Ca -0.37 -0.06 -0.03 0.00 -1.11 0.00 0.00 59.98 58.42 2jm5 h ARG 22 Cb 1.17 -0.22 -0.00 0.00 -0.01 0.00 0.00 29.97 30.91 2jm5 h ARG 22 CO 0.69 0.63 -0.12 -0.44 -3.11 0.00 0.00 179.97 177.63 2jm5 h ASP 23 N 0.98 0.00 0.26 -3.80 3.32 -1.94 0.03 116.42 115.28 2jm5 h ASP 23 Ca 0.34 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 57.05 2jm5 h ASP 23 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2jm5 h ASP 23 CO -0.14 0.12 -1.72 1.23 -1.72 0.00 0.00 179.24 177.01 2jm5 h GLY 24 N 0.74 0.38 0.50 2.75 0.00 -0.92 -0.44 103.07 106.07 2jm5 h GLY 24 Ca -0.00 -0.96 0.09 0.00 0.00 0.00 0.00 47.33 46.46 2jm5 h GLY 24 CO 0.02 0.84 0.43 -2.00 0.00 0.00 0.00 176.54 175.83 2jm5 h LEU 25 N 0.09 0.59 -0.31 3.11 6.46 -0.08 0.27 115.31 125.45 2jm5 h LEU 25 Ca -0.33 0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.46 2jm5 h LEU 25 Cb 2.07 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.93 2jm5 h LEU 25 CO 0.16 0.34 0.09 -0.08 -0.62 0.00 0.00 178.44 178.32 2jm5 h GLU 26 N 0.72 0.49 -0.17 1.25 4.57 -0.98 0.18 114.58 120.64 2jm5 h GLU 26 Ca 0.38 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 58.43 2jm5 h GLU 26 Cb 0.37 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 2jm5 h GLU 26 CO -0.26 0.54 0.05 0.00 -1.18 0.00 0.00 179.01 178.17 2jm5 h ALA 27 N 0.92 0.22 -0.09 2.92 0.00 -0.07 -2.48 119.26 120.68 2jm5 h ALA 27 Ca 0.10 -0.14 -0.21 0.00 0.00 0.00 0.00 54.91 54.66 2jm5 h ALA 27 Cb 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2jm5 h ALA 27 CO -0.00 -0.15 -0.79 0.35 0.00 0.00 0.00 179.25 178.65 2jm5 h PHE 28 N 0.09 0.79 -0.62 0.00 3.57 -0.49 -2.21 116.94 118.07 2jm5 h PHE 28 Ca 0.05 -0.36 -0.03 0.00 3.53 0.00 0.00 57.97 61.16 2jm5 h PHE 28 Cb 0.24 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 2jm5 h PHE 28 CO 0.00 1.16 0.29 0.00 -2.23 0.00 0.00 178.31 177.53 2jm5 h THR 29 N 0.38 1.22 0.00 4.41 1.03 -0.59 0.11 112.91 119.47 2jm5 h THR 29 Ca -0.05 -0.65 -0.04 0.00 -0.01 0.00 0.00 66.41 65.66 2jm5 h THR 29 Cb 1.40 0.49 -0.01 0.00 -1.07 0.00 0.00 68.15 68.97 2jm5 h THR 29 CO 0.15 0.26 -0.19 0.08 -0.01 0.00 0.00 175.52 175.81 2jm5 h ARG 30 N 0.86 0.00 -0.18 0.00 0.11 -1.43 0.21 114.38 113.95 2jm5 h ARG 30 Ca 0.21 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 60.14 2jm5 h ARG 30 Cb 0.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.23 2jm5 h ARG 30 CO -0.02 0.19 -0.47 0.35 0.10 0.00 0.00 179.97 180.11 2jm5 h PHE 31 N 0.00 0.82 -0.01 4.08 3.57 -0.88 -2.48 116.94 122.03 2jm5 h PHE 31 Ca -0.00 -0.32 -0.20 0.00 3.53 0.00 0.00 57.97 60.99 2jm5 h PHE 31 Cb 0.97 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 2jm5 h PHE 31 CO 0.00 1.09 -0.85 1.25 -2.23 0.00 0.00 178.31 177.57 2jm5 h LEU 32 N 0.31 0.31 -0.82 0.59 5.85 -0.42 -3.15 115.31 117.97 2jm5 h LEU 32 Ca -0.01 -0.24 -0.12 0.00 0.84 0.00 0.00 57.88 58.36 2jm5 h LEU 32 Cb 1.08 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 2jm5 h LEU 32 CO 0.10 1.02 -0.38 0.11 -0.34 0.00 0.00 178.44 178.95 2jm5 h LYS 33 N 0.14 0.43 0.00 1.25 1.57 -0.63 0.10 116.57 119.43 2jm5 h LYS 33 Ca -0.04 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 2jm5 h LYS 33 Cb 1.46 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.77 2jm5 h LYS 33 CO 0.13 0.75 -0.08 0.00 -0.57 0.00 0.00 179.45 179.68 2jm5 h THR 34 N 0.36 0.21 -0.33 -0.16 1.03 -1.40 -1.88 112.91 110.74 2jm5 h THR 34 Ca 0.04 -0.71 0.00 0.00 -0.01 0.00 0.00 66.41 65.73 2jm5 h THR 34 Cb 0.83 1.58 0.00 0.00 -1.07 0.00 0.00 68.15 69.50 2jm5 h THR 34 CO 0.07 0.08 0.00 -1.84 -0.01 0.00 0.00 175.52 173.81 2jm5 n GLU 35 N -3.22 2.25 -1.74 0.00 0.28 -1.14 -4.97 120.64 112.10 2jm5 n GLU 35 Ca 0.00 -2.00 -0.18 0.00 -0.16 0.00 0.00 57.16 54.82 2jm5 n GLU 35 Cb 0.34 -1.36 -0.06 0.00 1.43 0.00 0.00 31.44 31.79 2jm5 n GLU 35 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2jm5 n PHE 36 N 0.96 -0.23 -0.43 -1.84 3.72 -0.71 -4.84 117.46 114.09 2jm5 n PHE 36 Ca 0.14 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.64 2jm5 n PHE 36 Cb 0.47 -3.19 0.34 0.00 -0.94 0.00 0.00 39.48 36.16 2jm5 n PHE 36 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2jm5 n SER 37 N -1.04 4.33 0.27 4.37 7.64 -0.05 -4.43 113.62 124.71 2jm5 n SER 37 Ca -0.19 -2.26 0.18 0.00 1.01 0.00 0.00 58.87 57.61 2jm5 n SER 37 Cb 0.61 -0.54 0.93 0.00 -1.01 0.00 0.00 64.21 64.20 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 4.09 0.00 -0.37 1.43 -0.00 -1.81 -2.29 114.58 115.64 2jm5 h GLU 38 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 59.36 59.47 2jm5 h GLU 38 Cb 1.24 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.97 2jm5 h GLU 38 CO 0.14 0.00 0.26 1.05 -0.00 0.00 0.00 179.01 180.46 2jm5 h GLU 39 N 0.00 0.00 0.21 1.06 4.11 -1.90 0.12 114.58 118.17 2jm5 h GLU 39 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 2jm5 h GLU 39 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2jm5 h GLU 39 CO 0.00 0.00 -0.10 -0.91 0.07 0.00 0.00 179.01 178.07 2jm5 h ASN 40 N 0.00 -0.23 -0.36 3.06 2.35 -1.77 -0.04 115.58 118.58 2jm5 h ASN 40 Ca 0.17 -0.29 -0.08 0.00 -0.55 0.00 0.00 56.30 55.55 2jm5 h ASN 40 Cb 0.70 0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.11 2jm5 h ASN 40 CO -0.00 0.26 -0.03 -0.29 -1.65 0.00 0.00 177.43 175.72 2jm5 h ILE 41 N -0.84 1.24 -0.00 2.81 2.10 -1.67 -1.43 117.51 119.73 2jm5 h ILE 41 Ca -0.03 -1.03 0.00 0.00 1.08 0.00 0.00 64.86 64.88 2jm5 h ILE 41 Cb 0.52 0.93 0.00 0.00 -1.09 0.00 0.00 36.82 37.18 2jm5 h ILE 41 CO 0.05 0.36 -0.02 -0.62 -1.08 0.00 0.00 178.15 176.83 2jm5 n GLU 42 N -4.21 0.15 0.30 2.19 1.02 0.38 -1.30 120.64 119.18 2jm5 n GLU 42 Ca 0.02 -0.01 -0.15 0.00 -0.02 0.00 0.00 57.16 57.00 2jm5 n GLU 42 Cb 0.31 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.15 2jm5 n GLU 42 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2jm5 h PHE 43 N 0.02 -0.71 0.00 -0.32 3.57 0.14 -1.71 116.94 117.93 2jm5 h PHE 43 Ca 0.00 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 2jm5 h PHE 43 Cb 0.43 0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.40 2jm5 h PHE 43 CO 0.00 -0.38 -0.13 0.11 -2.23 0.00 0.00 178.31 175.68 2jm5 h TRP 44 N -0.97 0.00 -0.46 0.41 5.08 -1.38 -2.63 115.95 116.00 2jm5 h TRP 44 Ca -0.08 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.87 2jm5 h TRP 44 Cb 0.65 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.79 2jm5 h TRP 44 CO -0.00 0.13 0.18 0.82 -1.28 0.00 0.00 178.44 178.29 2jm5 h ILE 45 N 0.00 1.17 -0.31 0.12 2.04 -1.21 0.26 117.51 119.58 2jm5 h ILE 45 Ca -0.00 -0.54 -0.07 0.00 1.00 0.00 0.00 64.86 65.25 2jm5 h ILE 45 Cb 1.05 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 2jm5 h ILE 45 CO 0.02 0.21 -0.09 0.00 0.00 0.00 0.00 178.15 178.29 2jm5 h ALA 46 N 1.55 0.43 0.00 1.87 0.00 -1.07 -2.05 119.26 120.00 2jm5 h ALA 46 Ca 0.16 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 2jm5 h ALA 46 Cb 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2jm5 h ALA 46 CO -0.02 0.28 -0.30 0.00 0.00 0.00 0.00 179.25 179.21 2jm5 h GLU 48 N 0.00 0.47 0.00 0.00 4.57 -0.39 -1.78 114.58 117.45 2jm5 h GLU 48 Ca -0.00 -0.43 -0.02 0.00 -1.18 0.00 0.00 59.36 57.73 2jm5 h GLU 48 Cb 0.71 0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.40 2jm5 h GLU 48 CO 0.04 1.07 -0.11 0.22 -1.18 0.00 0.00 179.01 179.04 2jm5 h ASP 49 N 0.30 0.00 0.25 1.04 1.82 -0.71 -1.52 116.42 117.60 2jm5 h ASP 49 Ca -0.05 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.46 2jm5 h ASP 49 Cb 1.43 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.43 2jm5 h ASP 49 CO 0.15 0.11 -0.49 0.15 -1.61 0.00 0.00 179.24 177.55 2jm5 h PHE 50 N 0.00 0.33 0.00 0.28 3.57 -0.40 -2.34 116.94 118.38 2jm5 h PHE 50 Ca -0.00 -0.11 -0.12 0.00 3.53 0.00 0.00 57.97 61.28 2jm5 h PHE 50 Cb 0.74 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 2jm5 h PHE 50 CO 0.00 0.71 -0.56 -0.22 -2.23 0.00 0.00 178.31 176.02 2jm5 h LYS 51 N 0.22 0.00 0.00 1.11 3.64 -0.41 -2.02 116.57 119.11 2jm5 h LYS 51 Ca 0.01 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 2jm5 h LYS 51 Cb 0.94 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 2jm5 h LYS 51 CO 0.08 0.56 -0.18 0.87 -2.27 0.00 0.00 179.45 178.51 2jm5 h LYS 52 N 0.00 0.00 -2.00 1.90 1.57 -1.00 -3.06 116.57 113.99 2jm5 h LYS 52 Ca -0.01 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.30 2jm5 h LYS 52 Cb 1.13 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.27 2jm5 h LYS 52 CO 0.07 0.18 0.33 0.43 -0.57 0.00 0.00 179.45 179.88 2jm5 n SER 53 N -4.07 6.37 -0.26 0.86 7.64 -0.76 -4.77 113.62 118.63 2jm5 n SER 53 Ca -0.02 -3.15 0.00 0.00 1.01 0.00 0.00 58.87 56.71 2jm5 n SER 53 Cb 0.25 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 2jm5 n SER 53 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2jm5 n LYS 54 N 1.01 0.18 -2.86 1.43 -0.00 -1.16 -4.16 118.16 112.60 2jm5 n LYS 54 Ca 0.48 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 58.38 2jm5 n LYS 54 Cb 0.58 -1.05 -0.04 0.00 -0.00 0.00 0.00 35.03 34.53 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 -1.31 1.92 0.46 2.58 0.00 -1.26 -4.94 107.32 104.78 2jm5 s GLY 55 Ca 0.00 -0.01 0.17 0.00 0.00 0.00 0.00 44.72 44.88 2jm5 s GLY 55 CO 0.00 1.79 1.98 -2.55 0.00 0.00 0.00 173.10 174.33 2jm5 h PRO 56 N 7.49 0.27 0.22 2.90 0.11 -2.00 0.11 132.00 141.09 2jm5 h PRO 56 Ca -0.25 -0.02 -0.33 0.00 0.11 0.00 0.00 66.00 65.51 2jm5 h PRO 56 Cb 1.11 -0.06 0.04 0.00 0.11 0.00 0.00 31.00 32.19 2jm5 h PRO 56 CO 0.87 0.18 -1.41 1.96 -0.21 0.00 0.00 178.00 179.38 2jm5 h GLN 57 N 0.28 0.55 -0.55 1.05 1.08 -1.93 -3.19 115.11 112.39 2jm5 h GLN 57 Ca 0.27 -0.88 0.07 0.00 -1.45 0.00 0.00 58.65 56.66 2jm5 h GLN 57 Cb 0.68 0.32 -0.03 0.00 -0.05 0.00 0.00 27.48 28.40 2jm5 h GLN 57 CO -0.06 1.42 0.37 0.37 -0.95 0.00 0.00 178.83 179.98 2jm5 h GLN 58 N 0.18 0.44 -0.13 1.46 5.75 -1.37 -1.54 115.11 119.90 2jm5 h GLN 58 Ca -0.23 -0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.28 2jm5 h GLN 58 Cb 2.10 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 30.50 2jm5 h GLN 58 CO 0.26 0.29 -0.21 0.82 -2.65 0.00 0.00 178.83 177.34 2jm5 h ILE 59 N 0.45 0.47 -0.99 2.39 1.08 -0.86 0.14 117.51 120.20 2jm5 h ILE 59 Ca 0.24 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.79 2jm5 h ILE 59 Cb 0.38 0.47 -0.07 0.00 -3.07 0.00 0.00 36.82 34.53 2jm5 h ILE 59 CO -0.07 0.00 0.64 0.45 -0.69 0.00 0.00 178.15 178.48 2jm5 h HIS 60 N -0.27 1.16 0.34 1.37 3.86 -1.34 0.22 115.15 120.50 2jm5 h HIS 60 Ca 0.10 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.32 2jm5 h HIS 60 Cb 0.42 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.51 2jm5 h HIS 60 CO -0.32 0.57 -0.17 -0.07 0.86 0.00 0.00 177.93 178.81 2jm5 h LEU 61 N 1.11 -0.39 -1.05 2.43 3.38 -1.31 -2.55 115.31 116.94 2jm5 h LEU 61 Ca 0.44 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.37 2jm5 h LEU 61 Cb 0.25 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 2jm5 h LEU 61 CO -0.19 0.06 0.45 0.50 0.09 0.00 0.00 178.44 179.36 2jm5 h LYS 62 N -1.10 1.12 -0.24 1.13 3.11 -0.60 -1.37 116.57 118.61 2jm5 h LYS 62 Ca -0.05 -0.12 -0.04 0.00 -2.81 0.00 0.00 60.65 57.63 2jm5 h LYS 62 Cb 0.40 -0.22 -0.01 0.00 -1.00 0.00 0.00 32.23 31.40 2jm5 h LYS 62 CO 0.08 0.81 -0.01 0.00 -2.81 0.00 0.00 179.45 177.51 2jm5 h ALA 63 N 1.37 0.33 -0.84 5.00 0.00 -0.67 -1.87 119.26 122.58 2jm5 h ALA 63 Ca 0.29 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 55.02 2jm5 h ALA 63 Cb 0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 2jm5 h ALA 63 CO -0.05 0.07 0.55 -0.22 0.00 0.00 0.00 179.25 179.61 2jm5 h LYS 64 N 0.20 0.94 0.20 0.00 1.63 -0.99 0.37 116.57 118.92 2jm5 h LYS 64 Ca 0.07 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.80 2jm5 h LYS 64 Cb 0.44 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 2jm5 h LYS 64 CO 0.01 0.62 -0.10 0.00 -3.45 0.00 0.00 179.45 176.54 2jm5 h ALA 65 N 1.53 -0.27 -0.44 5.00 0.00 -1.03 -1.04 119.26 123.01 2jm5 h ALA 65 Ca 0.35 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2jm5 h ALA 65 Cb 0.16 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2jm5 h ALA 65 CO -0.12 -0.53 0.04 0.82 0.00 0.00 0.00 179.25 179.46 2jm5 h ILE 66 N -0.50 1.22 0.57 0.00 2.04 -0.77 -0.69 117.51 119.37 2jm5 h ILE 66 Ca -0.03 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 64.98 2jm5 h ILE 66 Cb 0.38 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 2jm5 h ILE 66 CO 0.04 0.30 -0.42 0.22 0.00 0.00 0.00 178.15 178.29 2jm5 h TYR 67 N 0.65 -1.13 0.00 1.37 3.20 -0.18 -0.01 116.97 120.87 2jm5 h TYR 67 Ca 0.14 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.93 2jm5 h TYR 67 Cb 0.34 0.42 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 2jm5 h TYR 67 CO 0.02 -0.61 -0.35 0.93 -1.64 0.00 0.00 178.16 176.51 2jm5 h GLU 68 N -0.96 0.00 0.00 1.82 5.08 -0.95 0.10 114.58 119.67 2jm5 h GLU 68 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2jm5 h GLU 68 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 2jm5 h GLU 68 CO 0.02 0.35 -0.69 -0.22 -1.00 0.00 0.00 179.01 177.47 2jm5 h LYS 69 N 0.00 0.00 0.00 2.33 3.64 -1.00 -3.38 116.57 118.16 2jm5 h LYS 69 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2jm5 h LYS 69 Cb 0.64 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 2jm5 h LYS 69 CO 0.05 0.00 -0.03 1.19 -2.27 0.00 0.00 179.45 178.39 2jm5 n PHE 70 N -2.59 -1.41 0.29 1.91 3.72 -0.03 -3.88 117.46 115.47 2jm5 n PHE 70 Ca 0.02 0.25 0.16 0.00 -0.05 0.00 0.00 57.45 57.83 2jm5 n PHE 70 Cb 0.51 0.52 0.89 0.00 -0.94 0.00 0.00 39.48 40.47 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 0.40 -3.99 4.37 1.08 -0.72 -2.80 117.51 115.85 2jm5 h ILE 71 Ca 0.00 -0.25 -0.45 0.00 -0.39 0.00 0.00 64.86 63.77 2jm5 h ILE 71 Cb 0.03 1.17 0.15 0.00 -3.07 0.00 0.00 36.82 35.10 2jm5 h ILE 71 CO 0.00 0.05 0.25 -1.10 -0.69 0.00 0.00 178.15 176.66 2jm5 s GLN 72 N -4.29 0.46 -0.18 2.37 -1.52 -0.35 -4.88 119.66 111.26 2jm5 s GLN 72 Ca -0.04 0.21 -0.00 0.00 -1.95 0.00 0.00 55.36 53.58 2jm5 s GLN 72 Cb 0.13 -1.77 -0.11 0.00 -0.22 0.00 0.00 33.01 31.04 2jm5 s GLN 72 CO 0.53 -2.65 -0.17 2.41 -0.25 0.00 0.00 175.29 175.17 2jm5 n THR 73 N -4.06 1.04 0.57 -0.19 -1.04 -1.26 -4.27 114.28 105.07 2jm5 n THR 73 Ca 0.08 -0.38 0.03 0.00 -2.04 0.00 0.00 64.05 61.74 2jm5 n THR 73 Cb 0.59 -1.23 0.14 0.00 -1.82 0.00 0.00 70.33 68.01 2jm5 n THR 73 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2jm5 n ASP 74 N -3.15 2.34 -4.63 8.00 5.75 -1.26 -4.81 116.55 118.78 2jm5 n ASP 74 Ca -0.33 -2.23 -0.30 0.00 -0.01 0.00 0.00 54.79 51.92 2jm5 n ASP 74 Cb 0.83 -0.44 0.18 0.00 -1.03 0.00 0.00 41.12 40.66 2jm5 n ASP 74 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jm5 s ALA 75 N -1.65 1.01 0.49 2.12 0.00 -1.26 -4.88 121.76 117.60 2jm5 s ALA 75 Ca 0.20 0.38 0.23 0.00 0.00 0.00 0.00 51.96 52.77 2jm5 s ALA 75 Cb 0.13 -3.39 1.29 0.00 0.00 0.00 0.00 23.12 21.15 2jm5 s ALA 75 CO 0.08 -2.99 1.95 -1.00 0.00 0.00 0.00 175.76 173.80 2jm5 h PRO 76 N -2.03 0.15 0.00 0.00 0.13 -1.74 -3.40 132.00 125.11 2jm5 h PRO 76 Ca -0.48 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2jm5 h PRO 76 Cb 1.28 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2jm5 h PRO 76 CO 0.44 0.10 0.00 1.63 -0.23 0.00 0.00 178.00 179.94 2jm5 n LYS 77 N -4.40 0.00 0.00 0.86 5.02 -1.25 -5.15 118.16 113.24 2jm5 n LYS 77 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 2jm5 n LYS 77 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.66 2jm5 n LYS 77 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2jm5 n GLU 78 N 0.00 -1.89 -4.17 1.97 2.13 -1.26 -4.84 120.64 112.58 2jm5 n GLU 78 Ca 0.00 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.66 2jm5 n GLU 78 Cb 0.00 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 31.57 2jm5 n GLU 78 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2jm5 s VAL 79 N -1.90 0.51 -0.42 6.31 1.01 -1.05 -4.84 120.40 120.01 2jm5 s VAL 79 Ca 0.00 -0.47 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 2jm5 s VAL 79 Cb 0.00 -0.47 -0.19 0.00 0.00 0.00 0.00 36.38 35.72 2jm5 s VAL 79 CO 0.00 0.01 3.11 0.59 0.00 0.00 0.00 175.10 178.82 2jm5 n ASN 80 N 2.56 5.56 -4.85 3.32 3.02 -1.26 -4.89 115.26 118.72 2jm5 n ASN 80 Ca -0.15 -2.41 -0.36 0.00 -0.03 0.00 0.00 54.58 51.63 2jm5 n ASN 80 Cb 0.57 -1.31 -0.06 0.00 -0.61 0.00 0.00 39.78 38.37 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 0.04 4.40 0.11 3.41 2.96 -1.26 -4.87 118.68 123.47 2jm5 s LEU 81 Ca 0.60 0.87 -0.36 0.00 -0.22 0.00 0.00 54.13 55.03 2jm5 s LEU 81 Cb 0.25 -2.84 -0.16 0.00 0.50 0.00 0.00 46.19 43.94 2jm5 s LEU 81 CO -0.02 0.23 1.37 -0.67 -1.32 0.00 0.00 176.35 175.94 2jm5 n ASP 82 N 1.26 1.90 -0.18 3.68 2.03 -1.26 -4.84 116.55 119.15 2jm5 n ASP 82 Ca -0.10 1.11 -0.02 0.00 0.52 0.00 0.00 54.79 56.30 2jm5 n ASP 82 Cb 0.52 -1.24 0.08 0.00 -0.72 0.00 0.00 41.12 39.76 2jm5 n ASP 82 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2jm5 h PHE 83 N 4.70 0.34 -0.27 -0.67 3.57 -1.99 0.13 116.94 122.75 2jm5 h PHE 83 Ca -0.47 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 60.94 2jm5 h PHE 83 Cb 1.32 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.98 2jm5 h PHE 83 CO 0.60 0.10 -0.34 1.25 -2.23 0.00 0.00 178.31 177.68 2jm5 h HIS 84 N 0.38 0.69 -0.23 0.41 2.76 -1.99 -1.81 115.15 115.35 2jm5 h HIS 84 Ca 0.27 -0.18 -0.02 0.00 -2.20 0.00 0.00 60.37 58.23 2jm5 h HIS 84 Cb 0.30 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 2jm5 h HIS 84 CO -0.17 0.86 0.07 1.15 -1.30 0.00 0.00 177.93 178.54 2jm5 h THR 85 N 0.50 1.20 -0.66 6.26 2.02 -1.75 -1.85 112.91 118.64 2jm5 h THR 85 Ca 0.05 -0.63 0.12 0.00 0.77 0.00 0.00 66.41 66.72 2jm5 h THR 85 Cb 0.83 1.19 -0.08 0.00 -1.74 0.00 0.00 68.15 68.34 2jm5 h THR 85 CO 0.07 0.20 0.22 0.11 0.37 0.00 0.00 175.52 176.49 2jm5 h LYS 86 N 0.20 0.36 -0.09 6.66 1.57 -0.83 -2.23 116.57 122.21 2jm5 h LYS 86 Ca 0.07 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.87 2jm5 h LYS 86 Cb 0.25 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 2jm5 h LYS 86 CO -0.00 0.24 -0.16 1.49 -0.57 0.00 0.00 179.45 180.45 2jm5 h GLU 87 N 0.37 -0.21 -0.74 3.15 4.81 -0.94 0.85 114.58 121.87 2jm5 h GLU 87 Ca 0.34 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.56 2jm5 h GLU 87 Cb 0.49 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 2jm5 h GLU 87 CO -0.37 -0.14 0.32 0.28 -0.73 0.00 0.00 179.01 178.37 2jm5 h VAL 88 N -0.22 1.24 -0.35 0.32 2.07 -0.89 -1.86 116.25 116.56 2jm5 h VAL 88 Ca 0.08 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 2jm5 h VAL 88 Cb 0.34 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 2jm5 h VAL 88 CO -0.22 0.30 0.12 0.40 0.02 0.00 0.00 177.57 178.18 2jm5 h ILE 89 N 1.06 1.20 0.00 4.57 2.04 -0.91 -0.59 117.51 124.88 2jm5 h ILE 89 Ca 0.25 -0.65 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 2jm5 h ILE 89 Cb 0.15 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2jm5 h ILE 89 CO -0.03 0.23 -0.02 0.71 0.00 0.00 0.00 178.15 179.04 2jm5 h THR 90 N 0.42 0.48 0.00 -0.27 1.35 -0.08 0.23 112.91 115.04 2jm5 h THR 90 Ca 0.11 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 2jm5 h THR 90 Cb 0.23 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 2jm5 h THR 90 CO -0.01 0.02 -0.94 0.59 -0.25 0.00 0.00 175.52 174.94 2jm5 n ASN 91 N -3.74 0.74 -0.22 5.36 3.02 -0.78 -4.28 115.26 115.36 2jm5 n ASN 91 Ca -0.03 -0.60 0.07 0.00 -0.03 0.00 0.00 54.58 53.99 2jm5 n ASN 91 Cb 0.11 0.83 0.10 0.00 -0.61 0.00 0.00 39.78 40.20 2jm5 n ASN 91 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2jm5 n SER 92 N -1.64 1.61 0.08 6.41 2.88 -0.28 -4.62 113.62 118.05 2jm5 n SER 92 Ca 0.03 -2.76 -0.01 0.00 -1.33 0.00 0.00 58.87 54.81 2jm5 n SER 92 Cb 0.37 -0.36 -0.05 0.00 -0.75 0.00 0.00 64.21 63.42 2jm5 n SER 92 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 2jm5 h ILE 93 N 2.22 0.93 0.00 2.46 6.09 -0.79 -2.97 117.51 125.46 2jm5 h ILE 93 Ca -0.00 -2.44 -0.00 0.00 -1.37 0.00 0.00 64.86 61.05 2jm5 h ILE 93 Cb 1.13 2.40 -0.00 0.00 0.47 0.00 0.00 36.82 40.81 2jm5 h ILE 93 CO 0.00 0.53 -0.01 0.00 -3.07 0.00 0.00 178.15 175.60 2jm5 h THR 94 N 0.00 0.03 -1.85 2.19 1.03 -1.83 -3.33 112.91 109.15 2jm5 h THR 94 Ca -0.08 -0.32 -0.47 0.00 -0.01 0.00 0.00 66.41 65.54 2jm5 h THR 94 Cb 1.57 1.31 -0.32 0.00 -1.07 0.00 0.00 68.15 69.65 2jm5 h THR 94 CO 0.07 0.01 -0.86 0.00 -0.01 0.00 0.00 175.52 174.73 2jm5 n GLN 95 N -3.11 0.39 -2.06 0.00 6.02 -1.18 -5.09 117.38 112.35 2jm5 n GLN 95 Ca -0.01 -2.84 -0.29 0.00 -0.01 0.00 0.00 57.00 53.85 2jm5 n GLN 95 Cb 0.21 -1.54 0.17 0.00 1.02 0.00 0.00 30.24 30.10 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 0.07 0.87 0.29 -1.09 0.04 -1.13 -4.85 135.00 129.20 2jm5 s PRO 96 Ca 0.33 -0.55 0.07 0.00 0.04 0.00 0.00 61.00 60.89 2jm5 s PRO 96 Cb 0.07 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 2jm5 s PRO 96 CO -0.16 -2.21 0.25 0.25 0.04 0.00 0.00 177.00 175.18 2jm5 n THR 97 N -3.57 0.00 -0.05 1.26 -2.24 -1.26 -4.95 114.28 103.46 2jm5 n THR 97 Ca 0.15 -2.15 0.13 0.00 -2.27 0.00 0.00 64.05 59.91 2jm5 n THR 97 Cb 0.60 1.08 0.54 0.00 -2.10 0.00 0.00 70.33 70.44 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 0.29 -6.49 3.22 5.85 -1.97 -2.55 115.31 113.66 2jm5 h LEU 98 Ca -0.21 0.01 -0.60 0.00 0.84 0.00 0.00 57.88 57.92 2jm5 h LEU 98 Cb 1.06 -0.05 -0.40 0.00 0.37 0.00 0.00 40.66 41.63 2jm5 h LEU 98 CO 0.30 0.18 -0.82 1.41 -0.34 0.00 0.00 178.44 179.17 2jm5 n HIS 99 N -4.46 1.18 0.22 1.25 8.25 -1.26 -3.87 115.22 116.52 2jm5 n HIS 99 Ca 0.09 -3.79 0.05 0.00 -0.26 0.00 0.00 57.72 53.81 2jm5 n HIS 99 Cb 0.39 -0.25 0.49 0.00 1.12 0.00 0.00 29.99 31.74 2jm5 n HIS 99 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2jm5 h SER 100 N 5.03 0.00 -0.48 0.41 0.02 -1.83 -1.91 113.55 114.79 2jm5 h SER 100 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2jm5 h SER 100 Cb 0.82 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.36 2jm5 h SER 100 CO 0.57 0.22 0.00 0.49 -1.14 0.00 0.00 176.83 176.97 2jm5 n PHE 101 N -4.20 1.73 -0.27 3.45 3.72 -1.26 -4.67 117.46 115.95 2jm5 n PHE 101 Ca -0.02 -0.78 0.06 0.00 -0.05 0.00 0.00 57.45 56.66 2jm5 n PHE 101 Cb 0.29 -0.45 0.17 0.00 -0.94 0.00 0.00 39.48 38.55 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 3.30 -0.39 0.37 4.37 3.58 -1.74 0.27 116.42 126.18 2jm5 h ASP 102 Ca 0.00 0.21 -0.11 0.00 0.42 0.00 0.00 57.03 57.55 2jm5 h ASP 102 Cb 1.82 0.38 -0.01 0.00 1.72 0.00 0.00 39.33 43.23 2jm5 h ASP 102 CO 0.41 -0.21 -0.47 0.00 -2.88 0.00 0.00 179.24 176.09 2jm5 h ALA 103 N 1.76 1.12 0.00 -0.78 0.00 -1.85 -2.57 119.26 116.94 2jm5 h ALA 103 Ca 0.44 -0.44 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2jm5 h ALA 103 Cb 0.79 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2jm5 h ALA 103 CO -0.72 0.61 -0.48 0.00 0.00 0.00 0.00 179.25 178.67 2jm5 h ALA 104 N 1.42 0.81 -0.15 0.00 0.00 -0.93 -1.64 119.26 118.78 2jm5 h ALA 104 Ca 0.00 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 2jm5 h ALA 104 Cb 0.87 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2jm5 h ALA 104 CO 0.07 0.59 0.08 1.96 0.00 0.00 0.00 179.25 181.95 2jm5 h GLN 105 N 0.00 0.21 -0.70 0.00 7.50 -0.45 -1.03 115.11 120.64 2jm5 h GLN 105 Ca -0.00 -0.02 0.03 0.00 0.50 0.00 0.00 58.65 59.15 2jm5 h GLN 105 Cb 1.17 -0.04 -0.04 0.00 0.05 0.00 0.00 27.48 28.61 2jm5 h GLN 105 CO 0.06 0.22 0.44 0.77 -1.50 0.00 0.00 178.83 178.82 2jm5 h SER 106 N 0.14 0.72 -0.07 1.46 0.02 -1.39 0.14 113.55 114.57 2jm5 h SER 106 Ca 0.05 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 2jm5 h SER 106 Cb 0.07 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2jm5 h SER 106 CO -0.01 0.50 0.01 0.03 -1.14 0.00 0.00 176.83 176.22 2jm5 h ARG 107 N 0.86 0.03 -0.04 3.45 2.47 -1.01 -1.24 114.38 118.90 2jm5 h ARG 107 Ca 0.28 -0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.83 2jm5 h ARG 107 Cb 0.02 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.32 2jm5 h ARG 107 CO -0.11 0.02 -0.73 0.28 0.56 0.00 0.00 179.97 180.00 2jm5 h VAL 108 N 0.03 1.43 0.24 2.04 2.07 -0.93 -0.44 116.25 120.68 2jm5 h VAL 108 Ca 0.03 -2.24 -0.00 0.00 0.82 0.00 0.00 66.70 65.31 2jm5 h VAL 108 Cb 0.03 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 2jm5 h VAL 108 CO -0.05 0.66 -0.20 0.22 0.02 0.00 0.00 177.57 178.22 2jm5 h TYR 109 N 0.17 -0.53 -0.26 1.57 5.03 -0.51 0.31 116.97 122.74 2jm5 h TYR 109 Ca -0.02 0.00 -0.12 0.00 2.58 0.00 0.00 58.73 61.17 2jm5 h TYR 109 Cb 1.29 0.20 -0.01 0.00 1.55 0.00 0.00 36.73 39.76 2jm5 h TYR 109 CO 0.03 -0.30 -0.32 -0.56 -1.32 0.00 0.00 178.16 175.68 2jm5 h GLN 110 N -0.46 0.56 0.01 1.82 3.07 -1.16 0.11 115.11 119.06 2jm5 h GLN 110 Ca -0.01 -0.25 0.03 0.00 0.09 0.00 0.00 58.65 58.52 2jm5 h GLN 110 Cb 0.41 -0.01 -0.05 0.00 0.08 0.00 0.00 27.48 27.91 2jm5 h GLN 110 CO -0.03 0.81 -0.35 1.25 0.09 0.00 0.00 178.83 180.60 2jm5 h LEU 111 N 0.47 -1.05 -0.79 0.06 5.85 -0.90 0.10 115.31 119.06 2jm5 h LEU 111 Ca 0.06 0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.81 2jm5 h LEU 111 Cb 0.79 0.42 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 2jm5 h LEU 111 CO 0.06 -0.41 -0.13 0.24 -0.34 0.00 0.00 178.44 177.87 2jm5 h MET 112 N -0.51 0.77 0.00 1.25 2.86 -0.63 -2.50 114.93 116.18 2jm5 h MET 112 Ca 0.06 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 2jm5 h MET 112 Cb 0.59 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.19 2jm5 h MET 112 CO -0.28 0.87 0.00 -1.91 1.06 0.00 0.00 176.91 176.65 2jm5 n GLU 113 N -4.16 0.00 0.00 1.72 2.13 0.37 0.22 120.64 120.92 2jm5 n GLU 113 Ca 0.01 0.49 0.08 0.00 0.66 0.00 0.00 57.16 58.41 2jm5 n GLU 113 Cb 0.38 -1.46 0.44 0.00 0.27 0.00 0.00 31.44 31.07 2jm5 n GLU 113 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2jm5 n GLN 114 N -1.95 0.34 0.02 5.31 -0.00 0.29 -2.34 117.38 119.05 2jm5 n GLN 114 Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 57.00 57.08 2jm5 n GLN 114 Cb 0.00 -1.50 0.00 0.00 -0.00 0.00 0.00 30.24 28.74 2jm5 n GLN 114 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2jm5 n ASP 115 N -1.18 0.48 -0.04 2.61 2.03 -0.94 -4.87 116.55 114.65 2jm5 n ASP 115 Ca 0.10 0.06 -0.09 0.00 0.52 0.00 0.00 54.79 55.38 2jm5 n ASP 115 Cb 0.10 -0.14 -0.14 0.00 -0.72 0.00 0.00 41.12 40.22 2jm5 n ASP 115 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2jm5 n SER 116 N -3.21 0.75 -0.03 1.67 2.88 0.71 -4.12 113.62 112.27 2jm5 n SER 116 Ca 0.00 0.34 -0.01 0.00 -1.33 0.00 0.00 58.87 57.87 2jm5 n SER 116 Cb 0.27 0.10 0.26 0.00 -0.75 0.00 0.00 64.21 64.10 2jm5 n SER 116 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 2jm5 h TYR 117 N 0.00 0.62 -0.38 0.66 3.20 0.17 0.17 116.97 121.41 2jm5 h TYR 117 Ca -0.34 -0.07 -0.07 0.00 3.14 0.00 0.00 58.73 61.40 2jm5 h TYR 117 Cb 2.06 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 40.14 2jm5 h TYR 117 CO 0.00 0.59 -0.05 1.79 -1.64 0.00 0.00 178.16 178.86 2jm5 h THR 118 N 0.57 1.27 -0.61 1.81 1.35 -1.73 -1.22 112.91 114.35 2jm5 h THR 118 Ca 0.12 -1.09 -0.10 0.00 -0.55 0.00 0.00 66.41 64.80 2jm5 h THR 118 Cb 0.35 1.22 -0.02 0.00 -1.73 0.00 0.00 68.15 67.96 2jm5 h THR 118 CO 0.01 0.36 0.01 -0.09 -0.25 0.00 0.00 175.52 175.56 2jm5 h ARG 119 N 0.50 1.08 -0.33 4.72 2.43 -1.49 -2.02 114.38 119.27 2jm5 h ARG 119 Ca 0.10 -0.34 0.06 0.00 -0.81 0.00 0.00 59.98 58.99 2jm5 h ARG 119 Cb 0.54 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.94 2jm5 h ARG 119 CO 0.03 1.04 0.00 0.35 -1.51 0.00 0.00 179.97 179.89 2jm5 h PHE 120 N 0.98 -0.01 0.00 2.20 3.57 -0.54 0.11 116.94 123.25 2jm5 h PHE 120 Ca 0.17 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 2jm5 h PHE 120 Cb 0.55 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.35 2jm5 h PHE 120 CO 0.04 -0.05 -0.07 -0.07 -2.23 0.00 0.00 178.31 175.93 2jm5 h LEU 121 N 0.10 0.00 -2.93 0.59 3.38 -0.51 -1.73 115.31 114.21 2jm5 h LEU 121 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2jm5 h LEU 121 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2jm5 h LEU 121 CO -0.26 0.07 0.00 0.29 0.09 0.00 0.00 178.44 178.63 2jm5 n LYS 122 N -4.20 2.99 -2.05 1.13 4.01 -0.75 -4.41 118.16 114.89 2jm5 n LYS 122 Ca -0.03 -2.44 -0.31 0.00 -0.51 0.00 0.00 58.31 55.02 2jm5 n LYS 122 Cb 0.15 -1.51 -0.00 0.00 -0.51 0.00 0.00 35.03 33.15 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 -1.08 6.33 0.56 4.39 1.04 0.29 -4.91 113.70 120.33 2jm5 s SER 123 Ca 0.37 1.43 0.25 0.00 0.48 0.00 0.00 55.95 58.48 2jm5 s SER 123 Cb 0.21 -2.47 1.62 0.00 0.10 0.00 0.00 66.02 65.48 2jm5 s SER 123 CO 0.21 -0.78 2.21 -2.24 0.98 0.00 0.00 173.24 173.63 2jm5 h ASP 124 N 0.04 0.00 0.58 7.02 2.03 -1.90 -1.32 116.42 122.86 2jm5 h ASP 124 Ca -0.45 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 55.83 2jm5 h ASP 124 Cb 1.19 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.68 2jm5 h ASP 124 CO 0.62 0.00 -0.44 0.40 -1.03 0.00 0.00 179.24 178.79 2jm5 h ILE 125 N 0.00 0.00 -0.24 4.15 2.04 -1.91 0.20 117.51 121.75 2jm5 h ILE 125 Ca 0.00 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.74 2jm5 h ILE 125 Cb 0.01 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.08 2jm5 h ILE 125 CO -0.00 0.00 -0.38 0.22 0.00 0.00 0.00 178.15 177.99 2jm5 h TYR 126 N -0.97 0.63 0.00 1.37 3.20 -1.55 -1.83 116.97 117.82 2jm5 h TYR 126 Ca -0.08 -0.17 -0.01 0.00 3.14 0.00 0.00 58.73 61.61 2jm5 h TYR 126 Cb 0.81 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.94 2jm5 h TYR 126 CO -0.15 0.84 -0.07 -0.07 -1.64 0.00 0.00 178.16 177.07 2jm5 h LEU 127 N 0.45 0.00 0.00 2.82 3.38 -1.19 -0.53 115.31 120.24 2jm5 h LEU 127 Ca 0.04 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 2jm5 h LEU 127 Cb 0.86 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 2jm5 h LEU 127 CO 0.07 0.07 -0.74 -0.78 0.09 0.00 0.00 178.44 177.15 2jm5 h ASP 128 N 0.00 0.00 0.64 -0.43 3.58 0.19 -0.80 116.42 119.60 2jm5 h ASP 128 Ca -0.00 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.31 2jm5 h ASP 128 Cb 0.41 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.44 2jm5 h ASP 128 CO 0.01 0.65 -0.66 -0.07 -2.88 0.00 0.00 179.24 176.28 2jm5 h LEU 129 N 0.00 0.03 -0.64 2.28 3.38 -0.47 -2.12 115.31 117.77 2jm5 h LEU 129 Ca -0.03 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 2jm5 h LEU 129 Cb 1.52 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.24 2jm5 h LEU 129 CO 0.08 0.68 -0.66 0.24 0.09 0.00 0.00 178.44 178.87 2jm5 h MET 130 N 0.02 0.10 0.00 1.13 2.86 -1.11 -3.30 114.93 114.62 2jm5 h MET 130 Ca -0.01 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2jm5 h MET 130 Cb 1.18 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.85 2jm5 h MET 130 CO 0.09 0.72 0.00 -1.91 1.06 0.00 0.00 176.91 176.87 2jm5 n GLU 131 N -3.79 0.00 -0.49 1.72 4.07 -0.31 -1.40 120.64 120.44 2jm5 n GLU 131 Ca -0.02 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.07 2jm5 n GLU 131 Cb 0.65 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 32.02 2jm5 n GLU 131 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2jm5 n GLY 132 N 0.00 0.53 3.37 8.31 0.00 -1.26 -4.76 105.19 111.38 2jm5 n GLY 132 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2jm5 n GLY 132 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jm5 s ARG 133 N 0.00 2.24 0.00 1.61 0.52 -0.49 -5.25 118.95 117.59 2jm5 s ARG 133 Ca 0.00 -0.85 0.12 0.00 -0.52 0.00 0.00 55.73 54.48 2jm5 s ARG 133 Cb 0.00 -2.16 0.70 0.00 0.52 0.00 0.00 34.95 34.01 2jm5 s ARG 133 CO 0.00 0.58 1.13 -2.30 0.02 0.00 0.00 175.30 174.73