#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 0.00 -1.98 1.43 0.00 -1.26 -5.12 117.12 110.19 2jm5 n MET 2 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.28 2jm5 n MET 2 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.19 2jm5 n MET 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2jm5 s VAL 3 N -2.31 2.67 0.29 1.12 0.11 -1.26 -4.98 120.40 116.04 2jm5 s VAL 3 Ca 0.00 0.51 -0.29 0.00 -2.93 0.00 0.00 61.98 59.27 2jm5 s VAL 3 Cb 0.00 -3.33 -0.09 0.00 -1.53 0.00 0.00 36.38 31.43 2jm5 s VAL 3 CO 0.00 0.06 1.09 -0.44 -3.33 0.00 0.00 175.10 172.47 2jm5 s SER 4 N 0.78 7.25 0.49 3.54 0.01 -1.26 -4.86 113.70 119.65 2jm5 s SER 4 Ca 0.65 2.23 0.34 0.00 1.31 0.00 0.00 55.95 60.48 2jm5 s SER 4 Cb -0.43 -2.62 1.46 0.00 0.21 0.00 0.00 66.02 64.65 2jm5 s SER 4 CO 0.37 -0.15 1.72 -0.65 0.41 0.00 0.00 173.24 174.93 2jm5 h PRO 5 N 3.72 0.10 0.21 12.44 0.11 -1.86 0.64 132.00 147.37 2jm5 h PRO 5 Ca -0.47 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2jm5 h PRO 5 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2jm5 h PRO 5 CO 0.67 0.07 -0.10 1.49 -0.21 0.00 0.00 178.00 179.91 2jm5 h GLU 6 N 0.10 -0.27 0.00 1.05 4.22 -1.92 0.44 114.58 118.20 2jm5 h GLU 6 Ca 0.69 0.02 -0.03 0.00 0.08 0.00 0.00 59.36 60.12 2jm5 h GLU 6 Cb 2.43 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 31.74 2jm5 h GLU 6 CO -0.16 0.10 -0.14 1.49 -2.18 0.00 0.00 179.01 178.12 2jm5 h GLU 7 N -0.75 0.00 -0.26 1.92 4.57 -1.58 -1.74 114.58 116.74 2jm5 h GLU 7 Ca -0.03 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 57.97 2jm5 h GLU 7 Cb 0.50 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 2jm5 h GLU 7 CO 0.05 0.14 -0.54 0.00 -1.18 0.00 0.00 179.01 177.48 2jm5 h ALA 8 N 1.86 0.42 -0.06 2.92 0.00 -0.77 -3.09 119.26 120.54 2jm5 h ALA 8 Ca -0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 2jm5 h ALA 8 Cb 0.27 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2jm5 h ALA 8 CO 0.02 0.63 -0.00 -0.39 0.00 0.00 0.00 179.25 179.50 2jm5 h VAL 9 N 0.59 1.04 -0.47 0.00 -1.51 0.01 -0.72 116.25 115.18 2jm5 h VAL 9 Ca 0.01 -0.15 0.05 0.00 -1.23 0.00 0.00 66.70 65.37 2jm5 h VAL 9 Cb 1.15 1.00 -0.03 0.00 -2.13 0.00 0.00 31.29 31.29 2jm5 h VAL 9 CO 0.12 0.05 0.32 0.11 -1.23 0.00 0.00 177.57 176.94 2jm5 h LYS 10 N 0.08 0.45 0.00 5.19 1.79 -1.41 -1.11 116.57 121.56 2jm5 h LYS 10 Ca 0.02 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2jm5 h LYS 10 Cb 0.06 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 30.61 2jm5 h LYS 10 CO 0.00 0.30 -0.00 -1.49 -1.08 0.00 0.00 179.45 177.18 2jm5 h TRP 11 N 0.46 0.00 -0.03 -1.35 6.55 -1.16 -2.80 115.95 117.61 2jm5 h TRP 11 Ca 0.20 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.04 2jm5 h TRP 11 Cb 0.21 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.51 2jm5 h TRP 11 CO -0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.44 177.80 2jm5 n GLY 12 N -0.22 -0.67 0.13 1.49 0.00 -0.42 -3.37 105.19 102.13 2jm5 n GLY 12 Ca -0.00 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 2jm5 n GLY 12 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2jm5 h GLU 13 N 0.62 0.22 -2.78 1.61 4.11 -1.63 -3.48 114.58 113.24 2jm5 h GLU 13 Ca 0.00 -0.37 -0.14 0.00 0.07 0.00 0.00 59.36 58.92 2jm5 h GLU 13 Cb 0.13 0.14 -0.27 0.00 0.50 0.00 0.00 28.75 29.25 2jm5 h GLU 13 CO 0.00 1.18 -0.34 -1.12 0.07 0.00 0.00 179.01 178.80 2jm5 s SER 14 N -7.02 -0.43 0.33 3.06 0.01 -1.22 -5.04 113.70 103.41 2jm5 s SER 14 Ca -0.23 0.77 0.06 0.00 1.31 0.00 0.00 55.95 57.86 2jm5 s SER 14 Cb 0.06 0.68 0.73 0.00 0.21 0.00 0.00 66.02 67.70 2jm5 s SER 14 CO 0.74 -0.17 1.87 0.15 0.41 0.00 0.00 173.24 176.23 2jm5 h PHE 15 N 6.77 0.91 -0.64 2.43 3.57 -1.93 -1.33 116.94 126.71 2jm5 h PHE 15 Ca -0.35 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.23 2jm5 h PHE 15 Cb 1.18 -0.29 -0.05 0.00 2.79 0.00 0.00 35.95 39.57 2jm5 h PHE 15 CO 0.31 0.36 0.35 0.22 -2.23 0.00 0.00 178.31 177.32 2jm5 h ASP 16 N 0.80 0.51 -0.63 0.41 3.58 -1.96 0.96 116.42 120.09 2jm5 h ASP 16 Ca 0.45 0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.88 2jm5 h ASP 16 Cb 0.59 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.55 2jm5 h ASP 16 CO -0.21 0.33 0.20 0.50 -2.88 0.00 0.00 179.24 177.18 2jm5 h LYS 17 N 0.65 0.99 0.20 0.28 3.64 -1.58 0.16 116.57 120.90 2jm5 h LYS 17 Ca 0.29 -0.21 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2jm5 h LYS 17 Cb 0.19 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2jm5 h LYS 17 CO -0.19 0.87 -0.14 1.25 -2.27 0.00 0.00 179.45 178.97 2jm5 h LEU 18 N 0.91 -0.37 -0.71 5.20 5.85 -1.17 -3.03 115.31 122.00 2jm5 h LEU 18 Ca 0.20 0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.82 2jm5 h LEU 18 Cb 0.29 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2jm5 h LEU 18 CO -0.01 -0.23 -0.51 0.25 -0.34 0.00 0.00 178.44 177.60 2jm5 h LEU 19 N -0.34 0.38 0.00 2.25 5.85 -0.50 -2.47 115.31 120.48 2jm5 h LEU 19 Ca -0.01 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.52 2jm5 h LEU 19 Cb 0.30 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.22 2jm5 h LEU 19 CO -0.00 0.83 0.00 -1.20 -0.34 0.00 0.00 178.44 177.73 2jm5 n SER 20 N -3.95 0.00 -4.58 1.25 7.64 0.53 -4.19 113.62 110.32 2jm5 n SER 20 Ca -0.02 0.18 -0.39 0.00 1.01 0.00 0.00 58.87 59.65 2jm5 n SER 20 Cb 0.56 -0.38 -0.11 0.00 -1.01 0.00 0.00 64.21 63.27 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 -2.77 3.22 0.53 1.43 5.65 -0.94 -4.95 115.29 117.46 2jm5 s HIS 21 Ca 0.19 0.09 0.18 0.00 0.25 0.00 0.00 55.06 55.77 2jm5 s HIS 21 Cb 0.17 -2.43 1.35 0.00 -1.18 0.00 0.00 32.58 30.49 2jm5 s HIS 21 CO 0.43 -0.21 2.16 0.07 -0.65 0.00 0.00 174.74 176.55 2jm5 h ARG 22 N 8.37 0.00 0.00 2.88 -0.00 -1.82 0.33 114.38 124.14 2jm5 h ARG 22 Ca -0.34 0.00 -0.07 0.00 -0.00 0.00 0.00 59.98 59.57 2jm5 h ARG 22 Cb 1.18 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.14 2jm5 h ARG 22 CO 0.58 0.00 -0.32 -0.44 -0.00 0.00 0.00 179.97 179.79 2jm5 h ASP 23 N 0.00 0.00 0.26 0.08 5.19 -1.92 -0.22 116.42 119.80 2jm5 h ASP 23 Ca 0.00 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 56.07 2jm5 h ASP 23 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 2jm5 h ASP 23 CO -0.00 0.32 -1.80 1.23 -3.12 0.00 0.00 179.24 175.88 2jm5 h GLY 24 N 1.62 0.30 0.80 2.75 0.00 -0.59 0.29 103.07 108.24 2jm5 h GLY 24 Ca -0.00 -0.78 0.05 0.00 0.00 0.00 0.00 47.33 46.60 2jm5 h GLY 24 CO 0.04 0.68 0.66 -2.00 0.00 0.00 0.00 176.54 175.92 2jm5 h LEU 25 N 0.07 1.07 -0.20 3.11 6.46 -0.62 0.43 115.31 125.63 2jm5 h LEU 25 Ca -0.35 -0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.39 2jm5 h LEU 25 Cb 2.05 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 41.74 2jm5 h LEU 25 CO 0.13 0.71 0.04 -0.08 -0.62 0.00 0.00 178.44 178.62 2jm5 h GLU 26 N 1.23 0.33 -0.53 1.25 4.57 -1.04 0.64 114.58 121.04 2jm5 h GLU 26 Ca 0.42 -0.09 -0.02 0.00 -1.18 0.00 0.00 59.36 58.50 2jm5 h GLU 26 Cb 0.09 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 2jm5 h GLU 26 CO -0.15 0.48 0.27 0.00 -1.18 0.00 0.00 179.01 178.42 2jm5 h ALA 27 N 0.84 0.68 -0.46 2.92 0.00 -0.09 -1.31 119.26 121.84 2jm5 h ALA 27 Ca 0.06 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2jm5 h ALA 27 Cb 0.30 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2jm5 h ALA 27 CO 0.00 0.22 -0.02 0.35 0.00 0.00 0.00 179.25 179.80 2jm5 h PHE 28 N 0.70 0.90 -0.10 0.00 3.57 -0.09 -2.37 116.94 119.55 2jm5 h PHE 28 Ca 0.18 -0.16 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 2jm5 h PHE 28 Cb 0.09 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 2jm5 h PHE 28 CO -0.01 0.88 -0.25 0.00 -2.23 0.00 0.00 178.31 176.70 2jm5 h THR 29 N 0.67 1.23 -0.95 4.41 1.03 -0.63 0.23 112.91 118.90 2jm5 h THR 29 Ca 0.13 -1.05 0.01 0.00 -0.01 0.00 0.00 66.41 65.48 2jm5 h THR 29 Cb 0.53 1.43 -0.05 0.00 -1.07 0.00 0.00 68.15 68.99 2jm5 h THR 29 CO 0.03 0.32 0.61 0.03 -0.01 0.00 0.00 175.52 176.50 2jm5 h ARG 30 N 0.17 1.26 -0.12 0.00 2.47 -0.74 0.44 114.38 117.85 2jm5 h ARG 30 Ca 0.03 -0.09 -0.08 0.00 -1.26 0.00 0.00 59.98 58.58 2jm5 h ARG 30 Cb 0.54 -0.28 0.00 0.00 -1.65 0.00 0.00 29.97 28.58 2jm5 h ARG 30 CO 0.04 0.84 -0.22 0.35 0.56 0.00 0.00 179.97 181.54 2jm5 h PHE 31 N 1.29 0.46 -0.42 3.04 3.57 -1.03 -2.69 116.94 121.17 2jm5 h PHE 31 Ca 0.34 -0.16 0.02 0.00 3.53 0.00 0.00 57.97 61.70 2jm5 h PHE 31 Cb -0.12 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 2jm5 h PHE 31 CO -0.00 0.84 0.28 1.25 -2.23 0.00 0.00 178.31 178.44 2jm5 h LEU 32 N -0.04 0.43 -0.24 0.59 5.85 0.23 -1.83 115.31 120.30 2jm5 h LEU 32 Ca 0.01 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 2jm5 h LEU 32 Cb 0.80 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 2jm5 h LEU 32 CO 0.05 0.30 -0.41 0.11 -0.34 0.00 0.00 178.44 178.16 2jm5 h LYS 33 N 0.50 0.70 0.00 1.25 1.57 -0.14 0.31 116.57 120.77 2jm5 h LYS 33 Ca 0.16 -0.43 -0.04 0.00 -1.87 0.00 0.00 60.65 58.47 2jm5 h LYS 33 Cb 0.03 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2jm5 h LYS 33 CO -0.04 1.05 -0.20 0.00 -0.57 0.00 0.00 179.45 179.70 2jm5 h THR 34 N 0.42 1.11 -0.35 -0.16 1.03 -0.98 -1.15 112.91 112.83 2jm5 h THR 34 Ca 0.02 -0.69 0.00 0.00 -0.01 0.00 0.00 66.41 65.73 2jm5 h THR 34 Cb 1.00 1.37 0.00 0.00 -1.07 0.00 0.00 68.15 69.46 2jm5 h THR 34 CO 0.09 0.19 0.00 -1.84 -0.01 0.00 0.00 175.52 173.96 2jm5 n GLU 35 N -4.26 3.24 -3.16 0.00 0.28 -1.15 -5.00 120.64 110.58 2jm5 n GLU 35 Ca -0.02 -2.74 -0.15 0.00 -0.16 0.00 0.00 57.16 54.09 2jm5 n GLU 35 Cb 0.26 -1.79 0.01 0.00 1.43 0.00 0.00 31.44 31.35 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 -0.02 -3.01 -2.09 -1.84 3.01 -0.43 -4.97 117.46 108.10 2jm5 n PHE 36 Ca 0.21 1.21 -0.02 0.00 1.01 0.00 0.00 57.45 59.85 2jm5 n PHE 36 Cb 0.84 -3.45 -0.03 0.00 -0.01 0.00 0.00 39.48 36.83 2jm5 n PHE 36 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2jm5 n SER 37 N -0.96 -0.25 -0.02 4.37 3.41 0.11 -4.96 113.62 115.32 2jm5 n SER 37 Ca -0.01 -1.73 0.14 0.00 -0.26 0.00 0.00 58.87 57.02 2jm5 n SER 37 Cb 0.55 0.05 0.68 0.00 -0.26 0.00 0.00 64.21 65.22 2jm5 n SER 37 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2jm5 n GLU 38 N 0.09 0.35 0.10 4.33 0.28 -1.17 -3.65 120.64 120.97 2jm5 n GLU 38 Ca -0.11 -0.04 0.05 0.00 -0.16 0.00 0.00 57.16 56.90 2jm5 n GLU 38 Cb 0.73 -1.50 0.49 0.00 1.43 0.00 0.00 31.44 32.59 2jm5 n GLU 38 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 177.13 178.02 2jm5 h GLU 39 N 0.10 0.34 -0.05 3.44 -0.00 -1.92 -2.84 114.58 113.64 2jm5 h GLU 39 Ca 0.00 -0.03 -0.21 0.00 -0.00 0.00 0.00 59.36 59.13 2jm5 h GLU 39 Cb 0.36 -0.07 0.01 0.00 -0.00 0.00 0.00 28.75 29.05 2jm5 h GLU 39 CO 0.00 0.25 -0.77 -2.95 -0.00 0.00 0.00 179.01 175.53 2jm5 h ASN 40 N 0.34 0.77 -0.39 3.06 7.08 -1.90 -1.46 115.58 123.08 2jm5 h ASN 40 Ca 0.09 -0.70 -0.12 0.00 -3.08 0.00 0.00 56.30 52.49 2jm5 h ASN 40 Cb 0.00 -0.23 -0.01 0.00 -2.08 0.00 0.00 38.32 36.00 2jm5 h ASN 40 CO -0.02 1.36 -0.23 -0.29 -2.08 0.00 0.00 177.43 176.18 2jm5 h ILE 41 N 0.25 1.28 0.00 6.14 2.10 -1.77 -2.43 117.51 123.08 2jm5 h ILE 41 Ca -0.08 -1.38 0.00 0.00 1.08 0.00 0.00 64.86 64.48 2jm5 h ILE 41 Cb 1.43 1.32 0.00 0.00 -1.09 0.00 0.00 36.82 38.48 2jm5 h ILE 41 CO 0.15 0.46 0.00 -0.33 -1.08 0.00 0.00 178.15 177.35 2jm5 h GLU 42 N 0.65 0.00 0.95 2.19 3.07 -1.58 -2.57 114.58 117.29 2jm5 h GLU 42 Ca 0.08 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.90 2jm5 h GLU 42 Cb 0.79 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.71 2jm5 h GLU 42 CO 0.06 0.00 -0.45 0.35 -1.40 0.00 0.00 179.01 177.57 2jm5 h PHE 43 N 0.00 -1.18 0.00 4.33 3.57 -0.77 -1.32 116.94 121.58 2jm5 h PHE 43 Ca 0.00 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2jm5 h PHE 43 Cb 0.66 0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.78 2jm5 h PHE 43 CO 0.00 -0.73 0.00 0.11 -2.23 0.00 0.00 178.31 175.46 2jm5 h TRP 44 N -1.34 0.00 -0.68 0.41 -0.00 -1.45 -1.81 115.95 111.07 2jm5 h TRP 44 Ca -0.13 0.00 -0.07 0.00 -0.00 0.00 0.00 58.89 58.69 2jm5 h TRP 44 Cb 0.97 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 30.11 2jm5 h TRP 44 CO -0.00 0.00 0.15 0.82 -0.00 0.00 0.00 178.44 179.41 2jm5 h ILE 45 N 0.00 1.26 -0.69 0.12 2.04 -1.38 0.67 117.51 119.53 2jm5 h ILE 45 Ca 0.00 -0.98 0.01 0.00 1.00 0.00 0.00 64.86 64.88 2jm5 h ILE 45 Cb 0.54 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 2jm5 h ILE 45 CO 0.00 0.37 0.45 0.00 0.00 0.00 0.00 178.15 178.98 2jm5 h ALA 46 N 1.11 0.88 -0.05 1.87 0.00 -0.37 -0.87 119.26 121.84 2jm5 h ALA 46 Ca 0.21 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 2jm5 h ALA 46 Cb 0.39 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2jm5 h ALA 46 CO 0.01 0.31 -0.31 0.00 0.00 0.00 0.00 179.25 179.25 2jm5 h GLU 48 N 0.08 0.44 -0.18 0.00 -0.00 -0.12 0.13 114.58 114.93 2jm5 h GLU 48 Ca 0.01 -0.52 -0.05 0.00 -0.00 0.00 0.00 59.36 58.80 2jm5 h GLU 48 Cb 0.60 0.16 -0.01 0.00 -0.00 0.00 0.00 28.75 29.49 2jm5 h GLU 48 CO 0.04 1.17 -0.12 0.22 -0.00 0.00 0.00 179.01 180.33 2jm5 h ASP 49 N 0.23 0.28 0.27 3.06 3.58 -0.97 -1.59 116.42 121.28 2jm5 h ASP 49 Ca -0.10 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.28 2jm5 h ASP 49 Cb 1.68 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.66 2jm5 h ASP 49 CO 0.18 0.43 -0.13 0.15 -2.88 0.00 0.00 179.24 176.99 2jm5 h PHE 50 N 0.28 -0.34 0.00 0.28 3.57 -0.80 -3.26 116.94 116.67 2jm5 h PHE 50 Ca 0.06 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.55 2jm5 h PHE 50 Cb 0.38 0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.24 2jm5 h PHE 50 CO 0.01 0.02 0.00 1.57 -2.23 0.00 0.00 178.31 177.67 2jm5 h LYS 51 N -0.80 0.00 -0.01 1.11 2.10 -0.53 -1.28 116.57 117.17 2jm5 h LYS 51 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 2jm5 h LYS 51 Cb 0.51 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 2jm5 h LYS 51 CO 0.06 0.00 -0.07 0.36 -2.00 0.00 0.00 179.45 177.80 2jm5 n LYS 52 N -2.52 0.99 -3.16 0.07 2.85 -0.62 -4.78 118.16 110.98 2jm5 n LYS 52 Ca 0.01 -0.37 -0.39 0.00 -1.05 0.00 0.00 58.31 56.51 2jm5 n LYS 52 Cb 0.25 -1.49 -0.06 0.00 -0.65 0.00 0.00 35.03 33.08 2jm5 n LYS 52 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2jm5 s SER 53 N -2.27 7.11 -0.16 -5.58 0.01 -0.48 -4.97 113.70 107.37 2jm5 s SER 53 Ca 0.35 1.32 0.16 0.00 1.31 0.00 0.00 55.95 59.09 2jm5 s SER 53 Cb 0.21 -2.40 0.48 0.00 0.21 0.00 0.00 66.02 64.51 2jm5 s SER 53 CO 0.42 0.18 1.37 2.29 0.41 0.00 0.00 173.24 177.91 2jm5 n LYS 54 N 2.15 2.71 -3.61 12.44 -0.00 -1.26 -4.91 118.16 125.69 2jm5 n LYS 54 Ca -0.07 -2.74 -0.39 0.00 -0.00 0.00 0.00 58.31 55.10 2jm5 n LYS 54 Cb 0.50 -1.75 -0.11 0.00 -0.00 0.00 0.00 35.03 33.67 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 -1.98 1.90 0.37 2.58 0.00 -1.26 -4.97 107.32 103.96 2jm5 s GLY 55 Ca 0.39 -1.43 0.06 0.00 0.00 0.00 0.00 44.72 43.73 2jm5 s GLY 55 CO 0.08 0.74 1.97 -2.55 0.00 0.00 0.00 173.10 173.35 2jm5 h PRO 56 N 8.41 0.54 -0.01 2.90 0.11 -2.00 -0.47 132.00 141.48 2jm5 h PRO 56 Ca -0.31 -0.07 -0.22 0.00 0.11 0.00 0.00 66.00 65.51 2jm5 h PRO 56 Cb 1.14 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2jm5 h PRO 56 CO 0.63 0.45 -0.92 1.96 -0.21 0.00 0.00 178.00 179.91 2jm5 h GLN 57 N 0.54 0.42 -0.97 1.05 1.08 -2.00 -2.78 115.11 112.45 2jm5 h GLN 57 Ca 0.13 -0.44 0.11 0.00 -1.45 0.00 0.00 58.65 57.00 2jm5 h GLN 57 Cb 0.12 0.12 -0.08 0.00 -0.05 0.00 0.00 27.48 27.59 2jm5 h GLN 57 CO -0.01 1.10 0.60 0.37 -0.95 0.00 0.00 178.83 179.94 2jm5 h GLN 58 N 0.24 0.95 -0.20 1.46 5.75 -1.79 -1.64 115.11 119.89 2jm5 h GLN 58 Ca -0.08 -0.06 0.04 0.00 -0.15 0.00 0.00 58.65 58.41 2jm5 h GLN 58 Cb 1.55 -0.21 -0.04 0.00 1.07 0.00 0.00 27.48 29.85 2jm5 h GLN 58 CO 0.16 0.63 -0.05 0.82 -2.65 0.00 0.00 178.83 177.74 2jm5 h ILE 59 N 0.98 0.80 -0.03 2.39 1.08 -0.83 0.12 117.51 122.02 2jm5 h ILE 59 Ca 0.47 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.97 2jm5 h ILE 59 Cb 0.41 0.80 -0.04 0.00 -3.07 0.00 0.00 36.82 34.92 2jm5 h ILE 59 CO -0.25 0.00 -0.20 0.45 -0.69 0.00 0.00 178.15 177.46 2jm5 h HIS 60 N -0.00 -0.52 -0.08 1.37 3.86 -1.19 0.32 115.15 118.90 2jm5 h HIS 60 Ca 0.10 0.02 -0.20 0.00 -1.16 0.00 0.00 60.37 59.13 2jm5 h HIS 60 Cb 0.15 0.24 -0.00 0.00 1.06 0.00 0.00 27.41 28.85 2jm5 h HIS 60 CO -0.22 -0.28 -0.78 1.37 0.86 0.00 0.00 177.93 178.88 2jm5 h LEU 61 N -0.30 0.59 -0.40 2.43 8.10 -1.35 -1.62 115.31 122.76 2jm5 h LEU 61 Ca 0.07 -0.40 -0.13 0.00 0.11 0.00 0.00 57.88 57.52 2jm5 h LEU 61 Cb 0.40 -0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 40.43 2jm5 h LEU 61 CO -0.21 1.17 -0.25 0.11 -4.11 0.00 0.00 178.44 175.15 2jm5 h LYS 62 N 0.33 0.89 -0.25 0.17 1.79 -0.53 -1.37 116.57 117.59 2jm5 h LYS 62 Ca -0.04 -0.41 -0.02 0.00 -2.18 0.00 0.00 60.65 57.99 2jm5 h LYS 62 Cb 1.38 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 32.00 2jm5 h LYS 62 CO 0.14 1.06 0.08 0.00 -1.08 0.00 0.00 179.45 179.66 2jm5 h ALA 63 N 0.80 0.33 -0.75 3.86 0.00 -0.33 -0.09 119.26 123.08 2jm5 h ALA 63 Ca 0.08 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2jm5 h ALA 63 Cb 0.83 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 2jm5 h ALA 63 CO 0.07 -0.05 0.49 -0.22 0.00 0.00 0.00 179.25 179.54 2jm5 h LYS 64 N 0.24 0.93 0.23 0.00 1.63 -1.23 0.34 116.57 118.71 2jm5 h LYS 64 Ca 0.08 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 2jm5 h LYS 64 Cb 0.22 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 2jm5 h LYS 64 CO -0.00 0.61 -0.11 0.00 -3.45 0.00 0.00 179.45 176.50 2jm5 h ALA 65 N 1.55 -0.31 -0.43 5.00 0.00 -0.79 -0.81 119.26 123.48 2jm5 h ALA 65 Ca 0.29 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2jm5 h ALA 65 Cb -0.02 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2jm5 h ALA 65 CO -0.08 -0.55 0.10 0.82 0.00 0.00 0.00 179.25 179.54 2jm5 h ILE 66 N -0.54 1.19 0.70 0.00 2.04 -0.60 0.52 117.51 120.82 2jm5 h ILE 66 Ca -0.03 -0.69 -0.03 0.00 1.00 0.00 0.00 64.86 65.11 2jm5 h ILE 66 Cb 0.40 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 2jm5 h ILE 66 CO 0.05 0.25 -0.49 0.22 0.00 0.00 0.00 178.15 178.18 2jm5 h TYR 67 N 0.62 -1.32 0.00 1.37 3.20 -0.22 0.30 116.97 120.91 2jm5 h TYR 67 Ca 0.14 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2jm5 h TYR 67 Cb 0.24 0.49 0.00 0.00 1.54 0.00 0.00 36.73 39.00 2jm5 h TYR 67 CO 0.01 -0.71 0.00 0.93 -1.64 0.00 0.00 178.16 176.76 2jm5 h GLU 68 N -1.13 0.00 0.00 1.82 5.08 -0.71 0.34 114.58 119.98 2jm5 h GLU 68 Ca -0.09 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 2jm5 h GLU 68 Cb 0.93 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 2jm5 h GLU 68 CO 0.05 0.00 -1.45 1.17 -1.00 0.00 0.00 179.01 177.79 2jm5 n LYS 69 N -2.84 0.63 0.07 2.33 4.81 0.14 -4.42 118.16 118.87 2jm5 n LYS 69 Ca 0.02 0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 2jm5 n LYS 69 Cb 0.32 -1.73 0.00 0.00 0.02 0.00 0.00 35.03 33.64 2jm5 n LYS 69 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 2jm5 n PHE 70 N -2.66 -1.02 0.30 5.64 3.72 0.08 -4.21 117.46 119.31 2jm5 n PHE 70 Ca -0.06 0.18 0.16 0.00 -0.05 0.00 0.00 57.45 57.68 2jm5 n PHE 70 Cb 0.69 0.34 0.65 0.00 -0.94 0.00 0.00 39.48 40.21 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 0.00 -3.97 4.37 1.08 -0.71 -3.28 117.51 115.00 2jm5 h ILE 71 Ca 0.00 -0.48 -0.52 0.00 -0.39 0.00 0.00 64.86 63.48 2jm5 h ILE 71 Cb 0.14 1.44 0.07 0.00 -3.07 0.00 0.00 36.82 35.40 2jm5 h ILE 71 CO 0.00 0.00 0.54 -1.58 -0.69 0.00 0.00 178.15 176.42 2jm5 s GLN 72 N -3.60 3.87 -0.11 2.37 2.00 0.94 -4.93 119.66 120.20 2jm5 s GLN 72 Ca 0.02 1.95 -0.21 0.00 -2.00 0.00 0.00 55.36 55.12 2jm5 s GLN 72 Cb 0.09 -2.60 -0.27 0.00 0.80 0.00 0.00 33.01 31.03 2jm5 s GLN 72 CO 0.52 -0.50 0.64 1.15 -0.50 0.00 0.00 175.29 176.60 2jm5 h THR 73 N 2.18 1.32 -0.35 -0.34 2.02 -1.91 -3.29 112.91 112.54 2jm5 h THR 73 Ca -0.49 -2.39 -0.23 0.00 0.77 0.00 0.00 66.41 64.06 2jm5 h THR 73 Cb 1.25 2.93 -0.10 0.00 -1.74 0.00 0.00 68.15 70.49 2jm5 h THR 73 CO 0.61 0.63 0.27 -0.90 0.37 0.00 0.00 175.52 176.50 2jm5 n ASP 74 N -4.21 6.10 -4.40 4.18 5.75 -1.26 -4.66 116.55 118.05 2jm5 n ASP 74 Ca -0.20 -2.86 -0.29 0.00 -0.01 0.00 0.00 54.79 51.43 2jm5 n ASP 74 Cb 0.75 -1.10 0.19 0.00 -1.03 0.00 0.00 41.12 39.93 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 -1.18 1.05 0.52 2.12 0.00 -1.24 -4.91 121.76 118.13 2jm5 s ALA 75 Ca 0.25 -0.64 0.25 0.00 0.00 0.00 0.00 51.96 51.81 2jm5 s ALA 75 Cb 0.18 -3.00 1.37 0.00 0.00 0.00 0.00 23.12 21.67 2jm5 s ALA 75 CO -0.01 -2.96 1.98 -1.00 0.00 0.00 0.00 175.76 173.77 2jm5 h PRO 76 N -2.03 0.04 0.00 0.00 0.13 -1.77 -3.41 132.00 124.95 2jm5 h PRO 76 Ca -0.50 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2jm5 h PRO 76 Cb 1.32 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2jm5 h PRO 76 CO 0.50 0.02 0.00 1.63 -0.23 0.00 0.00 178.00 179.93 2jm5 n LYS 77 N -4.38 0.00 0.00 0.86 5.02 -1.26 -5.17 118.16 113.23 2jm5 n LYS 77 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 2jm5 n LYS 77 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.63 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 -1.13 -4.38 1.97 2.13 -1.26 -4.82 120.64 113.15 2jm5 n GLU 78 Ca 0.00 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.63 2jm5 n GLU 78 Cb 0.00 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 31.56 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 -2.00 0.74 -1.09 6.31 1.01 -1.24 -4.87 120.40 119.25 2jm5 s VAL 79 Ca 0.00 -0.41 -0.21 0.00 0.00 0.00 0.00 61.98 61.36 2jm5 s VAL 79 Cb 0.00 -0.62 -0.08 0.00 0.00 0.00 0.00 36.38 35.68 2jm5 s VAL 79 CO 0.00 0.20 1.92 0.59 0.00 0.00 0.00 175.10 177.82 2jm5 n ASN 80 N 2.84 3.24 -4.32 3.32 3.02 -1.26 -4.87 115.26 117.24 2jm5 n ASN 80 Ca -0.14 -2.74 -0.17 0.00 -0.03 0.00 0.00 54.58 51.50 2jm5 n ASN 80 Cb 0.57 -1.54 -0.10 0.00 -0.61 0.00 0.00 39.78 38.10 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 6.23 2.54 0.59 3.41 2.96 -1.26 -4.59 118.68 128.56 2jm5 s LEU 81 Ca 0.61 -1.00 -0.10 0.00 -0.22 0.00 0.00 54.13 53.42 2jm5 s LEU 81 Cb 0.06 -0.59 -0.04 0.00 0.50 0.00 0.00 46.19 46.12 2jm5 s LEU 81 CO 0.11 -0.20 0.98 1.51 -1.32 0.00 0.00 176.35 177.42 2jm5 s ASP 82 N -3.21 6.20 0.24 3.68 -4.77 -1.26 -4.98 116.67 112.57 2jm5 s ASP 82 Ca 0.20 1.29 0.05 0.00 -3.30 0.00 0.00 52.55 50.79 2jm5 s ASP 82 Cb -0.00 -2.39 0.26 0.00 -1.09 0.00 0.00 42.92 39.70 2jm5 s ASP 82 CO 0.05 -0.82 1.57 0.15 0.70 0.00 0.00 175.17 176.82 2jm5 h PHE 83 N -0.21 0.29 -0.32 2.11 3.57 -2.00 -2.77 116.94 117.61 2jm5 h PHE 83 Ca -0.45 -0.11 -0.16 0.00 3.53 0.00 0.00 57.97 60.78 2jm5 h PHE 83 Cb 1.20 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.88 2jm5 h PHE 83 CO 0.64 0.76 -0.45 1.25 -2.23 0.00 0.00 178.31 178.28 2jm5 h HIS 84 N 0.17 1.02 -0.21 0.41 2.76 -1.98 0.32 115.15 117.64 2jm5 h HIS 84 Ca -0.00 -0.33 -0.04 0.00 -2.20 0.00 0.00 60.37 57.79 2jm5 h HIS 84 Cb 1.09 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.84 2jm5 h HIS 84 CO 0.02 1.13 -0.04 1.15 -1.30 0.00 0.00 177.93 178.89 2jm5 h THR 85 N 0.67 1.28 -0.59 6.26 2.02 -1.97 -1.55 112.91 119.03 2jm5 h THR 85 Ca 0.04 -1.01 -0.03 0.00 0.77 0.00 0.00 66.41 66.18 2jm5 h THR 85 Cb 1.04 1.51 -0.03 0.00 -1.74 0.00 0.00 68.15 68.93 2jm5 h THR 85 CO 0.10 0.31 0.24 0.07 0.37 0.00 0.00 175.52 176.61 2jm5 h LYS 86 N 0.14 0.85 -0.15 6.66 2.10 -1.34 -1.76 116.57 123.06 2jm5 h LYS 86 Ca 0.06 -0.12 0.05 0.00 -2.00 0.00 0.00 60.65 58.63 2jm5 h LYS 86 Cb 0.48 -0.15 -0.06 0.00 -0.90 0.00 0.00 32.23 31.60 2jm5 h LYS 86 CO 0.02 0.69 -0.28 1.49 -2.00 0.00 0.00 179.45 179.36 2jm5 h GLU 87 N 0.84 -0.33 -0.58 0.07 4.81 -0.14 0.53 114.58 119.76 2jm5 h GLU 87 Ca 0.20 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.50 2jm5 h GLU 87 Cb 0.15 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.56 2jm5 h GLU 87 CO -0.02 -0.22 0.32 0.28 -0.73 0.00 0.00 179.01 178.64 2jm5 h VAL 88 N -0.35 0.99 -0.52 0.32 2.07 -0.77 -1.83 116.25 116.16 2jm5 h VAL 88 Ca 0.10 -0.21 -0.12 0.00 0.82 0.00 0.00 66.70 67.29 2jm5 h VAL 88 Cb 0.50 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2jm5 h VAL 88 CO -0.34 0.11 -0.13 0.40 0.02 0.00 0.00 177.57 177.63 2jm5 h ILE 89 N 0.62 1.27 0.00 4.57 2.04 -0.64 0.31 117.51 125.68 2jm5 h ILE 89 Ca 0.25 -1.28 -0.00 0.00 1.00 0.00 0.00 64.86 64.83 2jm5 h ILE 89 Cb 0.12 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 2jm5 h ILE 89 CO -0.15 0.45 -0.02 0.71 0.00 0.00 0.00 178.15 179.14 2jm5 h THR 90 N 0.88 0.12 0.00 -0.27 1.35 0.81 -0.02 112.91 115.78 2jm5 h THR 90 Ca 0.13 -0.24 -0.41 0.00 -0.55 0.00 0.00 66.41 65.34 2jm5 h THR 90 Cb 0.69 1.21 -0.07 0.00 -1.73 0.00 0.00 68.15 68.25 2jm5 h THR 90 CO 0.05 0.02 -2.47 0.59 -0.25 0.00 0.00 175.52 173.46 2jm5 n ASN 91 N -3.21 1.98 -1.51 5.36 3.02 -0.77 -4.60 115.26 115.53 2jm5 n ASN 91 Ca -0.02 0.04 0.11 0.00 -0.03 0.00 0.00 54.58 54.68 2jm5 n ASN 91 Cb 0.17 -0.57 0.35 0.00 -0.61 0.00 0.00 39.78 39.12 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 -3.61 4.43 0.27 6.41 2.88 0.10 -4.27 113.62 119.83 2jm5 n SER 92 Ca -0.48 -2.22 0.16 0.00 -1.33 0.00 0.00 58.87 54.99 2jm5 n SER 92 Cb 0.95 -0.55 0.71 0.00 -0.75 0.00 0.00 64.21 64.58 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 4.29 0.15 -0.07 2.46 6.09 -1.19 -1.83 117.51 127.40 2jm5 h ILE 93 Ca 0.00 -0.56 0.02 0.00 -1.37 0.00 0.00 64.86 62.95 2jm5 h ILE 93 Cb 1.24 1.48 -0.00 0.00 0.47 0.00 0.00 36.82 40.01 2jm5 h ILE 93 CO 0.12 0.05 0.07 0.00 -3.07 0.00 0.00 178.15 175.32 2jm5 h THR 94 N 0.00 0.61 -2.35 2.19 1.03 -1.84 -3.27 112.91 109.28 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 0.48 0.94 -0.40 0.00 -1.07 0.00 0.00 68.15 68.10 2jm5 h THR 94 CO 0.01 0.00 -0.86 0.00 -0.01 0.00 0.00 175.52 174.66 2jm5 n GLN 95 N -3.99 1.18 -3.02 0.00 6.02 -0.69 -5.09 117.38 111.78 2jm5 n GLN 95 Ca -0.01 -3.77 -0.36 0.00 -0.01 0.00 0.00 57.00 52.85 2jm5 n GLN 95 Cb 0.17 -1.77 -0.06 0.00 1.02 0.00 0.00 30.24 29.60 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 -1.18 4.32 0.26 -1.09 0.04 -1.24 -5.03 135.00 131.09 2jm5 s PRO 96 Ca 0.34 0.97 0.01 0.00 0.04 0.00 0.00 61.00 62.36 2jm5 s PRO 96 Cb 0.09 -2.83 0.01 0.00 0.04 0.00 0.00 34.50 31.81 2jm5 s PRO 96 CO -0.12 0.35 0.10 0.25 0.04 0.00 0.00 177.00 177.61 2jm5 n THR 97 N 0.62 0.00 -0.02 1.26 -2.24 -1.26 -4.78 114.28 107.87 2jm5 n THR 97 Ca -0.01 -1.13 0.04 0.00 -2.27 0.00 0.00 64.05 60.68 2jm5 n THR 97 Cb 0.51 -0.01 0.42 0.00 -2.10 0.00 0.00 70.33 69.15 2jm5 n THR 97 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2jm5 h LEU 98 N 0.00 0.49 -3.89 3.22 4.07 -1.95 -1.94 115.31 115.32 2jm5 h LEU 98 Ca -0.19 -0.01 -0.60 0.00 0.08 0.00 0.00 57.88 57.16 2jm5 h LEU 98 Cb 0.63 -0.12 -0.32 0.00 1.08 0.00 0.00 40.66 41.93 2jm5 h LEU 98 CO 0.31 0.35 0.34 1.41 -1.08 0.00 0.00 178.44 179.77 2jm5 n HIS 99 N -4.47 2.94 0.33 1.13 8.25 -1.26 -4.42 115.22 117.71 2jm5 n HIS 99 Ca 0.04 -2.63 0.21 0.00 -0.26 0.00 0.00 57.72 55.08 2jm5 n HIS 99 Cb 0.07 -1.05 1.11 0.00 1.12 0.00 0.00 29.99 31.24 2jm5 n HIS 99 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2jm5 h SER 100 N 1.89 0.00 0.00 0.41 4.64 -1.72 -0.39 113.55 118.39 2jm5 h SER 100 Ca 0.52 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.84 2jm5 h SER 100 Cb 1.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 2jm5 h SER 100 CO 1.25 0.00 -0.14 0.49 -0.87 0.00 0.00 176.83 177.56 2jm5 n PHE 101 N -3.20 0.00 -0.23 4.77 3.72 -1.26 -4.85 117.46 116.40 2jm5 n PHE 101 Ca -0.03 -1.05 0.02 0.00 -0.05 0.00 0.00 57.45 56.35 2jm5 n PHE 101 Cb 0.13 -0.17 0.14 0.00 -0.94 0.00 0.00 39.48 38.64 2jm5 n PHE 101 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 2jm5 h ASP 102 N 0.21 0.32 0.48 4.37 2.03 -1.41 0.41 116.42 122.83 2jm5 h ASP 102 Ca -0.00 0.08 -0.11 0.00 -0.73 0.00 0.00 57.03 56.27 2jm5 h ASP 102 Cb 1.03 0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 39.56 2jm5 h ASP 102 CO 0.00 0.17 -0.51 0.00 -1.03 0.00 0.00 179.24 177.87 2jm5 h ALA 103 N 1.46 1.14 -0.08 4.15 0.00 -1.89 -1.64 119.26 122.41 2jm5 h ALA 103 Ca 0.35 -0.46 -0.21 0.00 0.00 0.00 0.00 54.91 54.59 2jm5 h ALA 103 Cb 0.45 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2jm5 h ALA 103 CO -0.32 0.64 -0.80 0.00 0.00 0.00 0.00 179.25 178.76 2jm5 h ALA 104 N 1.47 0.45 -0.09 0.00 0.00 -1.37 -1.31 119.26 118.41 2jm5 h ALA 104 Ca -0.00 -0.63 -0.18 0.00 0.00 0.00 0.00 54.91 54.09 2jm5 h ALA 104 Cb 0.91 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2jm5 h ALA 104 CO 0.07 0.75 -0.71 1.96 0.00 0.00 0.00 179.25 181.32 2jm5 h GLN 105 N 0.34 0.43 -0.61 0.00 1.08 -0.82 -2.39 115.11 113.14 2jm5 h GLN 105 Ca -0.05 -0.34 0.02 0.00 -1.45 0.00 0.00 58.65 56.82 2jm5 h GLN 105 Cb 1.41 0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 28.87 2jm5 h GLN 105 CO 0.15 0.98 0.39 1.03 -0.95 0.00 0.00 178.83 180.42 2jm5 h SER 106 N 0.30 0.66 -0.02 1.46 0.87 -1.14 -0.59 113.55 115.09 2jm5 h SER 106 Ca -0.03 -0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2jm5 h SER 106 Cb 1.28 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 63.06 2jm5 h SER 106 CO 0.12 0.47 -0.11 0.03 -0.53 0.00 0.00 176.83 176.81 2jm5 h ARG 107 N 0.78 -0.18 -0.57 2.24 2.47 -0.91 -2.71 114.38 115.50 2jm5 h ARG 107 Ca 0.23 0.01 -0.06 0.00 -1.26 0.00 0.00 59.98 58.90 2jm5 h ARG 107 Cb -0.04 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.29 2jm5 h ARG 107 CO -0.07 -0.12 0.10 0.28 0.56 0.00 0.00 179.97 180.71 2jm5 h VAL 108 N -0.19 1.24 0.16 2.04 2.07 -1.11 0.12 116.25 120.58 2jm5 h VAL 108 Ca 0.05 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 2jm5 h VAL 108 Cb 0.25 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2jm5 h VAL 108 CO -0.13 0.34 -0.08 0.22 0.02 0.00 0.00 177.57 177.95 2jm5 h TYR 109 N 0.87 -0.19 -0.19 1.57 5.03 -1.01 -0.88 116.97 122.16 2jm5 h TYR 109 Ca 0.18 -0.00 -0.13 0.00 2.58 0.00 0.00 58.73 61.35 2jm5 h TYR 109 Cb 0.38 0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.71 2jm5 h TYR 109 CO 0.02 -0.06 -0.43 -0.56 -1.32 0.00 0.00 178.16 175.81 2jm5 h GLN 110 N -0.28 0.46 0.16 1.82 3.07 -1.27 -2.31 115.11 116.76 2jm5 h GLN 110 Ca -0.02 -0.24 0.01 0.00 0.09 0.00 0.00 58.65 58.49 2jm5 h GLN 110 Cb 0.22 0.01 -0.04 0.00 0.08 0.00 0.00 27.48 27.74 2jm5 h GLN 110 CO 0.04 0.81 -0.46 1.25 0.09 0.00 0.00 178.83 180.56 2jm5 h LEU 111 N 0.38 -1.35 -1.14 0.06 5.85 -0.65 -1.60 115.31 116.86 2jm5 h LEU 111 Ca 0.03 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 2jm5 h LEU 111 Cb 0.92 0.50 -0.03 0.00 0.37 0.00 0.00 40.66 42.41 2jm5 h LEU 111 CO 0.08 -0.53 0.36 0.24 -0.34 0.00 0.00 178.44 178.25 2jm5 h MET 112 N -0.72 0.96 0.33 1.25 2.86 -1.07 -0.71 114.93 117.83 2jm5 h MET 112 Ca 0.01 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 2jm5 h MET 112 Cb 0.72 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.19 2jm5 h MET 112 CO -0.24 0.71 -0.21 1.49 1.06 0.00 0.00 176.91 179.73 2jm5 h GLU 113 N 0.96 -0.49 -0.17 1.72 4.81 -1.02 0.42 114.58 120.81 2jm5 h GLU 113 Ca 0.24 0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.43 2jm5 h GLU 113 Cb 0.05 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2jm5 h GLU 113 CO -0.04 -0.32 -0.24 -0.56 -0.73 0.00 0.00 179.01 177.12 2jm5 h GLN 114 N -0.50 0.30 0.00 1.92 3.07 -1.25 -2.32 115.11 116.32 2jm5 h GLN 114 Ca -0.04 -0.10 -0.01 0.00 0.09 0.00 0.00 58.65 58.58 2jm5 h GLN 114 Cb 0.40 -0.03 -0.00 0.00 0.08 0.00 0.00 27.48 27.94 2jm5 h GLN 114 CO 0.04 0.53 -0.34 0.22 0.09 0.00 0.00 178.83 179.37 2jm5 h ASP 115 N 0.27 0.00 0.00 0.06 3.58 -1.15 -3.44 116.42 115.75 2jm5 h ASP 115 Ca 0.04 -0.06 -0.31 0.00 0.42 0.00 0.00 57.03 57.13 2jm5 h ASP 115 Cb 0.57 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.57 2jm5 h ASP 115 CO 0.04 0.70 -2.32 -1.20 -2.88 0.00 0.00 179.24 173.58 2jm5 n SER 116 N -4.67 0.03 -0.14 2.28 7.64 0.63 -4.37 113.62 115.03 2jm5 n SER 116 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 2jm5 n SER 116 Cb 0.19 1.15 0.27 0.00 -1.01 0.00 0.00 64.21 64.81 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 0.81 -0.17 1.43 3.20 0.25 0.31 116.97 122.80 2jm5 h TYR 117 Ca -0.46 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.38 2jm5 h TYR 117 Cb 2.05 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 40.05 2jm5 h TYR 117 CO 0.00 0.57 0.04 1.79 -1.64 0.00 0.00 178.16 178.92 2jm5 h THR 118 N 0.84 1.21 -0.32 1.81 1.35 -1.78 -0.25 112.91 115.77 2jm5 h THR 118 Ca 0.21 -0.66 -0.08 0.00 -0.55 0.00 0.00 66.41 65.34 2jm5 h THR 118 Cb 0.03 1.32 -0.02 0.00 -1.73 0.00 0.00 68.15 67.75 2jm5 h THR 118 CO -0.03 0.20 -0.14 0.03 -0.25 0.00 0.00 175.52 175.32 2jm5 h ARG 119 N 0.08 0.56 -0.11 4.72 3.08 -1.54 -2.30 114.38 118.88 2jm5 h ARG 119 Ca 0.05 -0.17 0.02 0.00 0.07 0.00 0.00 59.98 59.95 2jm5 h ARG 119 Cb 0.27 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 2jm5 h ARG 119 CO 0.00 0.69 -0.03 0.35 -1.07 0.00 0.00 179.97 179.91 2jm5 h PHE 120 N 0.51 -0.06 -0.12 3.04 3.57 -0.10 0.29 116.94 124.06 2jm5 h PHE 120 Ca 0.09 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.63 2jm5 h PHE 120 Cb 0.55 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.33 2jm5 h PHE 120 CO 0.02 -0.05 0.10 -0.07 -2.23 0.00 0.00 178.31 176.07 2jm5 h LEU 121 N -0.01 0.00 -2.88 0.59 3.38 -0.52 -0.96 115.31 114.92 2jm5 h LEU 121 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2jm5 h LEU 121 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2jm5 h LEU 121 CO -0.11 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.71 2jm5 n LYS 122 N -4.34 2.90 -2.34 1.13 4.76 -0.81 -4.38 118.16 115.07 2jm5 n LYS 122 Ca -0.00 -2.37 -0.29 0.00 -2.87 0.00 0.00 58.31 52.78 2jm5 n LYS 122 Cb 0.21 -1.45 -0.00 0.00 -1.84 0.00 0.00 35.03 31.95 2jm5 n LYS 122 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2jm5 s SER 123 N -1.04 6.29 0.38 4.39 1.04 0.96 -4.91 113.70 120.82 2jm5 s SER 123 Ca 0.35 1.17 0.27 0.00 0.48 0.00 0.00 55.95 58.23 2jm5 s SER 123 Cb 0.19 -2.36 1.32 0.00 0.10 0.00 0.00 66.02 65.28 2jm5 s SER 123 CO 0.22 -0.68 1.83 -2.24 0.98 0.00 0.00 173.24 173.36 2jm5 h ASP 124 N 0.15 0.00 0.45 7.02 2.03 -1.89 -0.77 116.42 123.41 2jm5 h ASP 124 Ca -0.46 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 55.82 2jm5 h ASP 124 Cb 1.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 2jm5 h ASP 124 CO 0.62 0.00 -0.22 0.40 -1.03 0.00 0.00 179.24 179.01 2jm5 h ILE 125 N 0.00 0.00 -0.15 4.15 1.08 -1.91 -0.74 117.51 119.93 2jm5 h ILE 125 Ca 0.00 -0.05 -0.13 0.00 -0.39 0.00 0.00 64.86 64.28 2jm5 h ILE 125 Cb 0.21 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.95 2jm5 h ILE 125 CO 0.00 0.00 -0.48 0.22 -0.69 0.00 0.00 178.15 177.20 2jm5 h TYR 126 N -0.66 0.49 0.00 1.37 3.20 -1.56 -2.29 116.97 117.51 2jm5 h TYR 126 Ca -0.06 -0.15 -0.01 0.00 3.14 0.00 0.00 58.73 61.64 2jm5 h TYR 126 Cb 0.47 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.64 2jm5 h TYR 126 CO 0.10 0.80 -0.07 -0.07 -1.64 0.00 0.00 178.16 177.29 2jm5 h LEU 127 N 0.32 0.00 -0.07 2.82 3.38 -1.23 0.31 115.31 120.85 2jm5 h LEU 127 Ca 0.02 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.75 2jm5 h LEU 127 Cb 0.96 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 2jm5 h LEU 127 CO 0.08 0.07 -1.05 -0.78 0.09 0.00 0.00 178.44 176.85 2jm5 h ASP 128 N 0.00 0.42 -0.07 -0.43 3.58 -0.57 0.23 116.42 119.57 2jm5 h ASP 128 Ca -0.00 -0.38 -0.09 0.00 0.42 0.00 0.00 57.03 56.97 2jm5 h ASP 128 Cb 0.42 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 2jm5 h ASP 128 CO 0.01 1.23 -0.24 -0.07 -2.88 0.00 0.00 179.24 177.29 2jm5 h LEU 129 N 0.13 0.49 0.08 2.28 3.38 -0.84 -2.74 115.31 118.11 2jm5 h LEU 129 Ca -0.09 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 2jm5 h LEU 129 Cb 1.73 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.35 2jm5 h LEU 129 CO 0.17 0.73 -0.04 0.24 0.09 0.00 0.00 178.44 179.64 2jm5 h MET 130 N 0.44 -0.11 0.00 1.13 2.86 -0.89 -3.27 114.93 115.09 2jm5 h MET 130 Ca 0.07 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2jm5 h MET 130 Cb 0.66 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.34 2jm5 h MET 130 CO 0.05 0.26 0.00 -1.91 1.06 0.00 0.00 176.91 176.37 2jm5 n GLU 131 N -4.96 -0.06 -0.03 1.72 2.13 0.79 -4.77 120.64 115.46 2jm5 n GLU 131 Ca -0.08 0.01 -0.17 0.00 0.66 0.00 0.00 57.16 57.58 2jm5 n GLU 131 Cb 0.22 -3.22 -0.07 0.00 0.27 0.00 0.00 31.44 28.63 2jm5 n GLU 131 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2jm5 h GLY 132 N 0.00 0.81 -6.86 8.31 0.00 -1.89 -3.37 103.07 100.07 2jm5 h GLY 132 Ca 0.00 -1.13 -0.61 0.00 0.00 0.00 0.00 47.33 45.59 2jm5 h GLY 132 CO 0.00 1.00 -0.75 -1.60 0.00 0.00 0.00 176.54 175.19 2jm5 s ARG 133 N -3.76 1.53 0.00 4.80 3.52 -1.26 -5.16 118.95 118.63 2jm5 s ARG 133 Ca -0.11 -2.42 0.24 0.00 -0.13 0.00 0.00 55.73 53.32 2jm5 s ARG 133 Cb 0.08 -2.42 0.26 0.00 -1.56 0.00 0.00 34.95 31.30 2jm5 s ARG 133 CO 0.88 -1.25 1.30 -0.35 -0.81 0.00 0.00 175.30 175.07