#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 2.25 -0.14 -1.46 0.23 -1.26 -5.05 119.30 113.86 2jm5 s MET 2 Ca 0.00 -1.37 -0.09 0.00 -1.03 0.00 0.00 55.69 53.21 2jm5 s MET 2 Cb 0.00 -3.02 0.05 0.00 -1.53 0.00 0.00 34.83 30.33 2jm5 s MET 2 CO 0.00 -0.62 0.35 0.54 -2.03 0.00 0.00 175.02 173.26 2jm5 s VAL 3 N 1.14 -0.03 0.39 5.16 0.11 -1.26 -4.93 120.40 120.99 2jm5 s VAL 3 Ca -0.06 0.09 -0.24 0.00 -2.93 0.00 0.00 61.98 58.85 2jm5 s VAL 3 Cb -0.20 -0.52 -0.09 0.00 -1.53 0.00 0.00 36.38 34.04 2jm5 s VAL 3 CO -0.04 0.04 1.01 -0.44 -3.33 0.00 0.00 175.10 172.34 2jm5 s SER 4 N 1.13 6.88 0.55 3.54 0.01 -1.26 -4.84 113.70 119.71 2jm5 s SER 4 Ca -0.08 1.92 0.33 0.00 1.31 0.00 0.00 55.95 59.44 2jm5 s SER 4 Cb -0.08 -2.57 1.49 0.00 0.21 0.00 0.00 66.02 65.06 2jm5 s SER 4 CO -0.09 -0.40 1.84 -0.65 0.41 0.00 0.00 173.24 174.35 2jm5 h PRO 5 N 2.46 0.00 -0.21 12.44 0.11 -1.84 0.45 132.00 145.42 2jm5 h PRO 5 Ca -0.48 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.47 2jm5 h PRO 5 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2jm5 h PRO 5 CO 0.62 0.00 -0.52 1.05 -0.21 0.00 0.00 178.00 178.94 2jm5 h GLU 6 N 0.00 0.59 -0.14 1.05 -0.00 -1.94 0.28 114.58 114.43 2jm5 h GLU 6 Ca 0.44 -0.36 -0.13 0.00 -0.00 0.00 0.00 59.36 59.31 2jm5 h GLU 6 Cb 1.86 0.04 0.00 0.00 -0.00 0.00 0.00 28.75 30.65 2jm5 h GLU 6 CO -0.00 0.97 -0.42 1.49 -0.00 0.00 0.00 179.01 181.05 2jm5 h GLU 7 N 0.46 0.53 -0.54 1.06 4.57 -1.37 -2.74 114.58 116.55 2jm5 h GLU 7 Ca 0.02 -0.38 -0.04 0.00 -1.18 0.00 0.00 59.36 57.78 2jm5 h GLU 7 Cb 1.06 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.69 2jm5 h GLU 7 CO 0.10 1.00 0.20 0.00 -1.18 0.00 0.00 179.01 179.13 2jm5 h ALA 8 N 0.52 0.71 -0.23 2.92 0.00 -0.86 -1.96 119.26 120.35 2jm5 h ALA 8 Ca -0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2jm5 h ALA 8 Cb 1.04 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2jm5 h ALA 8 CO 0.09 0.34 0.01 -0.39 0.00 0.00 0.00 179.25 179.30 2jm5 h VAL 9 N 0.74 1.14 -0.01 0.00 -1.51 -0.47 -0.59 116.25 115.55 2jm5 h VAL 9 Ca 0.18 -0.54 -0.08 0.00 -1.23 0.00 0.00 66.70 65.02 2jm5 h VAL 9 Cb 0.23 0.96 -0.01 0.00 -2.13 0.00 0.00 31.29 30.34 2jm5 h VAL 9 CO -0.01 0.18 -0.39 0.50 -1.23 0.00 0.00 177.57 176.62 2jm5 h LYS 10 N 0.34 0.03 -0.27 5.19 1.63 -1.08 -1.44 116.57 120.96 2jm5 h LYS 10 Ca 0.08 -0.01 -0.14 0.00 -0.85 0.00 0.00 60.65 59.73 2jm5 h LYS 10 Cb 0.21 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.83 2jm5 h LYS 10 CO 0.00 0.41 -0.40 -1.49 -3.45 0.00 0.00 179.45 174.53 2jm5 h TRP 11 N 0.02 0.77 0.00 1.91 6.55 -0.44 -3.08 115.95 121.69 2jm5 h TRP 11 Ca -0.00 -0.22 0.00 0.00 0.95 0.00 0.00 58.89 59.61 2jm5 h TRP 11 Cb 0.70 -0.17 0.00 0.00 -0.86 0.00 0.00 29.16 28.84 2jm5 h TRP 11 CO 0.00 0.94 0.00 0.41 -1.05 0.00 0.00 178.44 178.75 2jm5 n GLY 12 N 0.01 -0.96 0.21 1.49 0.00 -0.52 -1.14 105.19 104.29 2jm5 n GLY 12 Ca -0.02 -0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.68 2.62 -3.11 1.61 0.28 -1.08 -4.91 120.64 114.36 2jm5 n GLU 13 Ca 0.02 -1.59 0.03 0.00 -0.16 0.00 0.00 57.16 55.47 2jm5 n GLU 13 Cb 0.14 -1.09 -0.00 0.00 1.43 0.00 0.00 31.44 31.92 2jm5 n GLU 13 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2jm5 s SER 14 N -0.93 -1.13 0.39 -1.84 1.04 -0.29 -5.03 113.70 105.91 2jm5 s SER 14 Ca 0.08 -0.10 0.11 0.00 0.48 0.00 0.00 55.95 56.52 2jm5 s SER 14 Cb 0.04 1.62 0.91 0.00 0.10 0.00 0.00 66.02 68.69 2jm5 s SER 14 CO 0.05 -0.18 1.91 0.15 0.98 0.00 0.00 173.24 176.15 2jm5 h PHE 15 N 7.27 0.65 -0.85 5.02 3.57 -1.89 -1.12 116.94 129.58 2jm5 h PHE 15 Ca -0.02 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 2jm5 h PHE 15 Cb 1.19 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.68 2jm5 h PHE 15 CO 0.09 0.27 0.41 0.22 -2.23 0.00 0.00 178.31 177.06 2jm5 h ASP 16 N 0.57 1.12 -0.27 0.41 3.58 -1.96 0.14 116.42 120.01 2jm5 h ASP 16 Ca 0.38 -0.14 -0.06 0.00 0.42 0.00 0.00 57.03 57.64 2jm5 h ASP 16 Cb 0.69 -0.29 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 2jm5 h ASP 16 CO -0.15 0.94 -0.06 0.50 -2.88 0.00 0.00 179.24 177.59 2jm5 h LYS 17 N 1.22 0.52 -0.12 0.28 3.64 -1.58 -0.90 116.57 119.62 2jm5 h LYS 17 Ca 0.29 -0.20 0.04 0.00 -1.27 0.00 0.00 60.65 59.52 2jm5 h LYS 17 Cb 0.12 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.86 2jm5 h LYS 17 CO -0.04 0.73 -0.17 1.25 -2.27 0.00 0.00 179.45 178.95 2jm5 h LEU 18 N 0.27 -0.52 -1.10 5.20 5.85 -0.93 -2.09 115.31 122.00 2jm5 h LEU 18 Ca 0.07 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 2jm5 h LEU 18 Cb 0.53 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 2jm5 h LEU 18 CO 0.03 -0.22 -0.14 0.25 -0.34 0.00 0.00 178.44 178.02 2jm5 h LEU 19 N -0.22 0.00 -0.59 2.25 5.85 -0.62 -2.10 115.31 119.89 2jm5 h LEU 19 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2jm5 h LEU 19 Cb 0.35 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.38 2jm5 h LEU 19 CO -0.25 0.14 -0.39 -1.20 -0.34 0.00 0.00 178.44 176.40 2jm5 n SER 20 N -3.26 1.30 -4.69 1.25 7.64 -0.35 -4.38 113.62 111.13 2jm5 n SER 20 Ca 0.01 -1.05 -0.38 0.00 1.01 0.00 0.00 58.87 58.46 2jm5 n SER 20 Cb 0.41 0.31 -0.07 0.00 -1.01 0.00 0.00 64.21 63.84 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 -2.57 3.42 0.27 1.43 5.65 -0.82 -4.96 115.29 117.72 2jm5 s HIS 21 Ca 0.20 0.66 -0.02 0.00 0.25 0.00 0.00 55.06 56.16 2jm5 s HIS 21 Cb 0.19 -2.49 0.42 0.00 -1.18 0.00 0.00 32.58 29.52 2jm5 s HIS 21 CO 0.57 0.08 1.88 -0.09 -0.65 0.00 0.00 174.74 176.54 2jm5 h ARG 22 N 7.08 1.13 0.00 2.88 1.12 -1.87 0.51 114.38 125.23 2jm5 h ARG 22 Ca -0.38 -0.07 -0.03 0.00 -1.11 0.00 0.00 59.98 58.39 2jm5 h ARG 22 Cb 1.17 -0.26 -0.00 0.00 -0.01 0.00 0.00 29.97 30.87 2jm5 h ARG 22 CO 0.73 0.75 -0.16 -0.44 -3.11 0.00 0.00 179.97 177.74 2jm5 h ASP 23 N 1.16 0.00 0.16 -3.80 3.32 -1.91 -1.84 116.42 113.51 2jm5 h ASP 23 Ca 0.43 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 57.13 2jm5 h ASP 23 Cb 0.18 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 2jm5 h ASP 23 CO -0.18 0.16 -2.00 0.61 -1.72 0.00 0.00 179.24 176.11 2jm5 n GLY 24 N -0.15 -0.60 0.33 2.75 0.00 0.48 -1.54 105.19 106.46 2jm5 n GLY 24 Ca -0.00 -0.25 0.04 0.00 0.00 0.00 0.00 46.02 45.81 2jm5 n GLY 24 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jm5 h LEU 25 N 0.06 0.79 -0.32 0.99 6.46 0.25 0.29 115.31 123.82 2jm5 h LEU 25 Ca -0.42 0.04 -0.12 0.00 -0.12 0.00 0.00 57.88 57.26 2jm5 h LEU 25 Cb 2.03 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 41.83 2jm5 h LEU 25 CO 0.07 0.45 -0.28 -0.08 -0.62 0.00 0.00 178.44 177.99 2jm5 h GLU 26 N 0.90 0.76 -0.32 1.25 4.81 -1.40 0.13 114.58 120.70 2jm5 h GLU 26 Ca 0.42 -0.38 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2jm5 h GLU 26 Cb 0.36 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 2jm5 h GLU 26 CO -0.24 1.00 0.21 0.00 -0.73 0.00 0.00 179.01 179.25 2jm5 h ALA 27 N 0.74 0.41 -0.27 2.92 0.00 -0.18 -1.18 119.26 121.69 2jm5 h ALA 27 Ca 0.06 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 2jm5 h ALA 27 Cb 0.84 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2jm5 h ALA 27 CO 0.07 -0.12 -0.51 0.35 0.00 0.00 0.00 179.25 179.04 2jm5 h PHE 28 N 0.43 1.03 -0.10 0.00 3.57 -0.46 -2.75 116.94 118.65 2jm5 h PHE 28 Ca 0.12 -0.37 -0.05 0.00 3.53 0.00 0.00 57.97 61.19 2jm5 h PHE 28 Cb -0.03 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 2jm5 h PHE 28 CO -0.05 1.18 -0.19 0.00 -2.23 0.00 0.00 178.31 177.03 2jm5 h THR 29 N 0.58 1.19 -0.53 4.41 1.03 -0.52 0.38 112.91 119.44 2jm5 h THR 29 Ca 0.01 -0.86 -0.07 0.00 -0.01 0.00 0.00 66.41 65.49 2jm5 h THR 29 Cb 1.12 1.32 -0.02 0.00 -1.07 0.00 0.00 68.15 69.50 2jm5 h THR 29 CO 0.11 0.26 0.07 0.03 -0.01 0.00 0.00 175.52 175.98 2jm5 h ARG 30 N 0.15 0.89 -0.09 0.00 3.08 -1.03 -0.15 114.38 117.23 2jm5 h ARG 30 Ca 0.03 -0.25 -0.18 0.00 0.07 0.00 0.00 59.98 59.65 2jm5 h ARG 30 Cb 0.43 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 2jm5 h ARG 30 CO 0.03 0.88 -0.71 0.35 -1.07 0.00 0.00 179.97 179.45 2jm5 h PHE 31 N 0.78 0.58 -0.20 3.04 3.57 -1.10 -2.94 116.94 120.66 2jm5 h PHE 31 Ca 0.16 -0.25 -0.03 0.00 3.53 0.00 0.00 57.97 61.38 2jm5 h PHE 31 Cb 0.43 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 2jm5 h PHE 31 CO 0.03 1.00 -0.01 1.25 -2.23 0.00 0.00 178.31 178.36 2jm5 h LEU 32 N 0.30 0.27 -0.35 0.59 5.85 0.04 -2.15 115.31 119.86 2jm5 h LEU 32 Ca -0.03 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 2jm5 h LEU 32 Cb 1.28 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 2jm5 h LEU 32 CO 0.12 0.33 0.18 0.11 -0.34 0.00 0.00 178.44 178.84 2jm5 h LYS 33 N 0.29 0.50 0.00 1.25 1.57 -0.85 0.14 116.57 119.47 2jm5 h LYS 33 Ca 0.07 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 2jm5 h LYS 33 Cb 0.21 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2jm5 h LYS 33 CO 0.00 0.44 -0.34 0.00 -0.57 0.00 0.00 179.45 178.98 2jm5 h THR 34 N 0.44 0.87 -0.55 -0.16 1.03 -1.31 -1.58 112.91 111.66 2jm5 h THR 34 Ca 0.12 -1.36 0.00 0.00 -0.01 0.00 0.00 66.41 65.16 2jm5 h THR 34 Cb 0.09 1.83 0.00 0.00 -1.07 0.00 0.00 68.15 69.00 2jm5 h THR 34 CO -0.02 0.33 0.00 -1.84 -0.01 0.00 0.00 175.52 173.98 2jm5 n GLU 35 N -3.59 2.59 -3.51 0.00 0.28 -1.11 -4.96 120.64 110.35 2jm5 n GLU 35 Ca -0.01 -2.44 -0.25 0.00 -0.16 0.00 0.00 57.16 54.31 2jm5 n GLU 35 Cb 0.46 -1.54 0.06 0.00 1.43 0.00 0.00 31.44 31.85 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 1.56 -2.55 -0.87 -1.84 3.72 -0.59 -4.89 117.46 112.01 2jm5 n PHE 36 Ca 0.22 0.86 0.08 0.00 -0.05 0.00 0.00 57.45 58.56 2jm5 n PHE 36 Cb 0.61 -4.67 0.22 0.00 -0.94 0.00 0.00 39.48 34.70 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 -2.85 3.46 0.26 4.37 7.64 0.44 -4.66 113.62 122.27 2jm5 n SER 37 Ca -0.01 -2.86 0.12 0.00 1.01 0.00 0.00 58.87 57.12 2jm5 n SER 37 Cb 0.57 -0.47 0.70 0.00 -1.01 0.00 0.00 64.21 63.99 2jm5 n SER 37 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2jm5 h GLU 38 N 1.49 0.00 0.00 1.43 4.81 -1.85 -2.34 114.58 118.12 2jm5 h GLU 38 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2jm5 h GLU 38 Cb 1.25 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 2jm5 h GLU 38 CO 0.15 0.13 -0.02 1.05 -0.73 0.00 0.00 179.01 179.60 2jm5 h GLU 39 N 0.00 0.00 -0.08 1.92 -0.00 -1.91 -0.69 114.58 113.82 2jm5 h GLU 39 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.35 2jm5 h GLU 39 Cb 0.34 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.09 2jm5 h GLU 39 CO 0.02 0.02 0.01 -0.91 -0.00 0.00 0.00 179.01 178.15 2jm5 h ASN 40 N 0.00 0.13 -0.48 3.06 2.35 -1.79 0.84 115.58 119.69 2jm5 h ASN 40 Ca -0.00 -0.26 -0.10 0.00 -0.55 0.00 0.00 56.30 55.39 2jm5 h ASN 40 Cb 0.08 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 2jm5 h ASN 40 CO 0.00 0.36 -0.09 0.40 -1.65 0.00 0.00 177.43 176.46 2jm5 h ILE 41 N -0.10 1.27 0.00 2.81 2.04 -1.40 -2.06 117.51 120.07 2jm5 h ILE 41 Ca 0.03 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 64.68 2jm5 h ILE 41 Cb 0.28 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 2jm5 h ILE 41 CO 0.00 0.42 0.00 -0.62 0.00 0.00 0.00 178.15 177.95 2jm5 n GLU 42 N -4.26 0.04 0.32 2.37 1.02 -0.38 -0.48 120.64 119.27 2jm5 n GLU 42 Ca 0.00 0.12 -0.13 0.00 -0.02 0.00 0.00 57.16 57.13 2jm5 n GLU 42 Cb 0.37 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.23 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 0.00 -0.78 0.00 -0.32 3.04 -0.09 -1.33 116.94 117.46 2jm5 h PHE 43 Ca 0.00 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.93 2jm5 h PHE 43 Cb 0.35 0.26 0.00 0.00 2.56 0.00 0.00 35.95 39.12 2jm5 h PHE 43 CO 0.00 -0.49 -0.11 0.11 -2.02 0.00 0.00 178.31 175.80 2jm5 h TRP 44 N -1.14 0.00 0.00 0.41 5.08 -1.35 -2.40 115.95 116.55 2jm5 h TRP 44 Ca -0.09 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 59.80 2jm5 h TRP 44 Cb 0.65 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.79 2jm5 h TRP 44 CO 0.01 0.00 -0.42 0.82 -1.28 0.00 0.00 178.44 177.58 2jm5 h ILE 45 N 0.00 1.26 -0.22 0.12 2.04 -0.86 0.27 117.51 120.12 2jm5 h ILE 45 Ca 0.00 -1.45 -0.03 0.00 1.00 0.00 0.00 64.86 64.38 2jm5 h ILE 45 Cb 0.79 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 2jm5 h ILE 45 CO 0.00 0.41 0.01 0.00 0.00 0.00 0.00 178.15 178.57 2jm5 h ALA 46 N 1.58 0.29 0.00 1.87 0.00 -0.75 -2.24 119.26 120.01 2jm5 h ALA 46 Ca -0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 2jm5 h ALA 46 Cb 0.76 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2jm5 h ALA 46 CO 0.05 -0.00 -0.17 0.00 0.00 0.00 0.00 179.25 179.13 2jm5 h GLU 48 N 0.00 0.68 -0.26 0.00 4.81 -0.23 0.33 114.58 119.91 2jm5 h GLU 48 Ca -0.00 -0.47 -0.10 0.00 -0.13 0.00 0.00 59.36 58.66 2jm5 h GLU 48 Cb 0.41 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 2jm5 h GLU 48 CO 0.02 1.09 -0.25 0.22 -0.73 0.00 0.00 179.01 179.37 2jm5 h ASP 49 N 0.38 0.50 0.17 1.04 1.82 -0.79 -2.39 116.42 117.15 2jm5 h ASP 49 Ca -0.01 -0.17 -0.01 0.00 -0.39 0.00 0.00 57.03 56.46 2jm5 h ASP 49 Cb 1.10 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.98 2jm5 h ASP 49 CO 0.11 0.74 -0.08 0.15 -1.61 0.00 0.00 179.24 178.55 2jm5 h PHE 50 N 0.44 -0.22 0.00 0.28 3.57 -0.78 -3.07 116.94 117.16 2jm5 h PHE 50 Ca 0.07 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.56 2jm5 h PHE 50 Cb 0.67 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.48 2jm5 h PHE 50 CO 0.02 0.01 0.00 1.57 -2.23 0.00 0.00 178.31 177.69 2jm5 h LYS 51 N -0.42 0.00 -0.00 1.11 5.09 -0.17 -1.21 116.57 120.97 2jm5 h LYS 51 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.72 2jm5 h LYS 51 Cb 0.33 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.66 2jm5 h LYS 51 CO 0.04 0.00 -0.15 0.36 -2.09 0.00 0.00 179.45 177.61 2jm5 n LYS 52 N -2.93 0.66 -3.05 0.07 2.85 -0.92 -4.75 118.16 110.10 2jm5 n LYS 52 Ca 0.01 -0.26 -0.40 0.00 -1.05 0.00 0.00 58.31 56.61 2jm5 n LYS 52 Cb 0.30 -1.49 -0.05 0.00 -0.65 0.00 0.00 35.03 33.13 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 -2.52 6.94 0.00 -5.58 0.01 -0.46 -4.94 113.70 107.15 2jm5 s SER 53 Ca 0.27 1.14 0.12 0.00 1.31 0.00 0.00 55.95 58.79 2jm5 s SER 53 Cb 0.20 -2.40 0.26 0.00 0.21 0.00 0.00 66.02 64.28 2jm5 s SER 53 CO 0.49 -0.15 1.15 2.29 0.41 0.00 0.00 173.24 177.44 2jm5 n LYS 54 N 4.00 2.10 -2.86 12.44 -0.00 -1.26 -4.93 118.16 127.64 2jm5 n LYS 54 Ca -0.01 -1.81 -0.42 0.00 -0.00 0.00 0.00 58.31 56.06 2jm5 n LYS 54 Cb 0.51 -1.28 -0.04 0.00 -0.00 0.00 0.00 35.03 34.21 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 -1.02 1.62 0.46 2.58 0.00 -1.26 -4.92 107.32 104.78 2jm5 s GLY 55 Ca 0.22 -0.48 0.14 0.00 0.00 0.00 0.00 44.72 44.60 2jm5 s GLY 55 CO 0.17 1.91 2.04 -2.55 0.00 0.00 0.00 173.10 174.67 2jm5 h PRO 56 N 8.39 0.07 -0.03 2.90 0.11 -2.00 0.65 132.00 142.09 2jm5 h PRO 56 Ca -0.24 -0.01 -0.26 0.00 0.11 0.00 0.00 66.00 65.61 2jm5 h PRO 56 Cb 1.08 -0.01 0.02 0.00 0.11 0.00 0.00 31.00 32.20 2jm5 h PRO 56 CO 0.95 0.15 -0.98 1.96 -0.21 0.00 0.00 178.00 179.87 2jm5 h GLN 57 N 0.07 0.72 -0.65 1.05 4.20 -2.01 -3.01 115.11 115.48 2jm5 h GLN 57 Ca 0.02 -0.73 0.03 0.00 0.06 0.00 0.00 58.65 58.03 2jm5 h GLN 57 Cb 0.18 0.20 -0.04 0.00 0.30 0.00 0.00 27.48 28.13 2jm5 h GLN 57 CO 0.01 1.31 0.43 0.37 -0.67 0.00 0.00 178.83 180.28 2jm5 h GLN 58 N 0.42 0.76 -0.29 1.46 5.75 -1.65 -1.72 115.11 119.83 2jm5 h GLN 58 Ca -0.11 -0.05 0.04 0.00 -0.15 0.00 0.00 58.65 58.38 2jm5 h GLN 58 Cb 1.63 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 29.97 2jm5 h GLN 58 CO 0.19 0.50 0.06 0.82 -2.65 0.00 0.00 178.83 177.75 2jm5 h ILE 59 N 0.78 0.86 -1.00 2.39 1.08 -0.79 0.89 117.51 121.72 2jm5 h ILE 59 Ca 0.26 -0.06 0.05 0.00 -0.39 0.00 0.00 64.86 64.72 2jm5 h ILE 59 Cb 0.07 0.68 -0.06 0.00 -3.07 0.00 0.00 36.82 34.43 2jm5 h ILE 59 CO -0.07 0.03 0.66 0.45 -0.69 0.00 0.00 178.15 178.52 2jm5 h HIS 60 N 0.17 1.22 0.50 1.37 3.86 -1.26 0.20 115.15 121.21 2jm5 h HIS 60 Ca 0.14 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.35 2jm5 h HIS 60 Cb 0.14 -0.41 0.00 0.00 1.06 0.00 0.00 27.41 28.21 2jm5 h HIS 60 CO -0.17 0.68 -0.24 -0.07 0.86 0.00 0.00 177.93 178.99 2jm5 h LEU 61 N 1.24 -0.56 -0.56 2.43 3.38 -1.13 -2.59 115.31 117.51 2jm5 h LEU 61 Ca 0.41 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.44 2jm5 h LEU 61 Cb 0.06 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 2jm5 h LEU 61 CO -0.14 -0.15 0.29 0.11 0.09 0.00 0.00 178.44 178.64 2jm5 h LYS 62 N -1.17 0.55 -0.40 1.13 1.79 -0.74 -0.79 116.57 116.94 2jm5 h LYS 62 Ca -0.07 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.36 2jm5 h LYS 62 Cb 0.52 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 2jm5 h LYS 62 CO 0.11 0.36 0.22 0.00 -1.08 0.00 0.00 179.45 179.06 2jm5 h ALA 63 N 1.30 0.51 -0.62 3.86 0.00 -0.69 0.32 119.26 123.94 2jm5 h ALA 63 Ca 0.25 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2jm5 h ALA 63 Cb 0.15 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2jm5 h ALA 63 CO -0.17 0.03 0.26 -0.22 0.00 0.00 0.00 179.25 179.15 2jm5 h LYS 64 N 0.51 0.89 0.12 0.00 1.63 -1.08 0.30 116.57 118.95 2jm5 h LYS 64 Ca 0.14 -0.13 -0.01 0.00 -0.85 0.00 0.00 60.65 59.80 2jm5 h LYS 64 Cb 0.05 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.52 2jm5 h LYS 64 CO -0.02 0.71 -0.06 0.00 -3.45 0.00 0.00 179.45 176.63 2jm5 h ALA 65 N 1.41 -0.16 -0.59 5.00 0.00 -0.64 -2.43 119.26 121.85 2jm5 h ALA 65 Ca 0.21 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2jm5 h ALA 65 Cb 0.15 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2jm5 h ALA 65 CO -0.02 -0.40 0.17 0.82 0.00 0.00 0.00 179.25 179.82 2jm5 h ILE 66 N -0.54 1.23 0.31 0.00 2.04 -0.69 -1.46 117.51 118.40 2jm5 h ILE 66 Ca -0.02 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 65.04 2jm5 h ILE 66 Cb 0.43 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 2jm5 h ILE 66 CO 0.03 0.30 -0.48 0.22 0.00 0.00 0.00 178.15 178.22 2jm5 h TYR 67 N 0.86 -1.36 0.00 1.37 3.20 -0.38 -0.18 116.97 120.48 2jm5 h TYR 67 Ca 0.19 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.09 2jm5 h TYR 67 Cb 0.27 0.55 0.00 0.00 1.54 0.00 0.00 36.73 39.09 2jm5 h TYR 67 CO 0.02 -0.60 0.00 0.39 -1.64 0.00 0.00 178.16 176.33 2jm5 n GLU 68 N -5.27 0.06 0.03 1.82 1.02 -0.92 -0.30 120.64 117.08 2jm5 n GLU 68 Ca -0.10 0.15 0.11 0.00 -0.02 0.00 0.00 57.16 57.30 2jm5 n GLU 68 Cb 0.41 -1.58 -0.05 0.00 -0.02 0.00 0.00 31.44 30.19 2jm5 n GLU 68 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2jm5 n LYS 69 N -1.69 0.44 0.10 3.49 4.81 -0.57 -4.26 118.16 120.48 2jm5 n LYS 69 Ca 0.05 -0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 2jm5 n LYS 69 Cb 0.30 -1.61 0.00 0.00 0.02 0.00 0.00 35.03 33.74 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 -2.16 -1.62 0.12 5.64 3.72 -0.11 -3.23 117.46 119.82 2jm5 n PHE 70 Ca -0.00 0.29 0.06 0.00 -0.05 0.00 0.00 57.45 57.74 2jm5 n PHE 70 Cb 0.49 0.45 0.51 0.00 -0.94 0.00 0.00 39.48 40.00 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 1.07 -4.00 4.37 1.08 -0.77 -3.11 117.51 116.14 2jm5 h ILE 71 Ca 0.00 -0.15 -0.53 0.00 -0.39 0.00 0.00 64.86 63.80 2jm5 h ILE 71 Cb 0.00 0.75 0.09 0.00 -3.07 0.00 0.00 36.82 34.60 2jm5 h ILE 71 CO 0.00 0.07 0.56 -1.58 -0.69 0.00 0.00 178.15 176.51 2jm5 s GLN 72 N -5.27 3.61 -0.02 2.37 2.00 0.59 -4.91 119.66 118.03 2jm5 s GLN 72 Ca -0.07 2.03 -0.21 0.00 -2.00 0.00 0.00 55.36 55.11 2jm5 s GLN 72 Cb 0.17 -2.45 -0.28 0.00 0.80 0.00 0.00 33.01 31.25 2jm5 s GLN 72 CO 0.71 -0.75 0.99 1.15 -0.50 0.00 0.00 175.29 176.89 2jm5 h THR 73 N 1.89 1.48 -0.23 -0.34 2.02 -1.91 -3.20 112.91 112.62 2jm5 h THR 73 Ca -0.50 -2.32 -0.10 0.00 0.77 0.00 0.00 66.41 64.27 2jm5 h THR 73 Cb 1.26 2.92 -0.06 0.00 -1.74 0.00 0.00 68.15 70.54 2jm5 h THR 73 CO 0.60 0.66 0.12 0.47 0.37 0.00 0.00 175.52 177.74 2jm5 n ASP 74 N -4.18 2.92 -4.76 4.18 8.00 -1.26 -4.85 116.55 116.60 2jm5 n ASP 74 Ca -0.12 -2.37 -0.31 0.00 0.71 0.00 0.00 54.79 52.69 2jm5 n ASP 74 Cb 0.75 -0.58 0.10 0.00 -0.02 0.00 0.00 41.12 41.36 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 -1.06 2.18 -1.12 2.24 0.00 -1.21 -4.93 121.76 117.86 2jm5 s ALA 75 Ca 0.15 0.33 0.18 0.00 0.00 0.00 0.00 51.96 52.63 2jm5 s ALA 75 Cb 0.12 -3.30 0.82 0.00 0.00 0.00 0.00 23.12 20.77 2jm5 s ALA 75 CO 0.03 -1.85 1.58 -0.35 0.00 0.00 0.00 175.76 175.18 2jm5 n PRO 76 N -3.51 0.07 0.04 0.00 -0.04 -1.26 -4.20 135.00 126.10 2jm5 n PRO 76 Ca 0.10 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 2jm5 n PRO 76 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 2jm5 n PRO 76 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2jm5 n LYS 77 N -1.44 0.00 -0.24 0.54 5.02 -1.20 -5.11 118.16 115.73 2jm5 n LYS 77 Ca 0.06 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.38 2jm5 n LYS 77 Cb 0.20 -0.32 -0.02 0.00 -0.02 0.00 0.00 35.03 34.87 2jm5 n LYS 77 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2jm5 n GLU 78 N -3.10 -0.55 -3.98 1.97 1.02 -1.23 -5.05 120.64 109.72 2jm5 n GLU 78 Ca 0.00 0.44 -0.09 0.00 -0.02 0.00 0.00 57.16 57.49 2jm5 n GLU 78 Cb 0.19 -0.64 -0.11 0.00 -0.02 0.00 0.00 31.44 30.86 2jm5 n GLU 78 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2jm5 s VAL 79 N -3.05 0.12 -0.18 2.62 1.01 -1.18 -4.89 120.40 114.85 2jm5 s VAL 79 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.00 2jm5 s VAL 79 Cb 0.00 -0.40 0.16 0.00 0.00 0.00 0.00 36.38 36.15 2jm5 s VAL 79 CO 0.00 -0.54 1.76 0.59 0.00 0.00 0.00 175.10 176.91 2jm5 n ASN 80 N 1.44 5.08 -4.76 3.32 3.02 -1.26 -4.96 115.26 117.13 2jm5 n ASN 80 Ca -0.23 -2.72 -0.39 0.00 -0.03 0.00 0.00 54.58 51.21 2jm5 n ASN 80 Cb 0.56 -0.91 0.01 0.00 -0.61 0.00 0.00 39.78 38.82 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 -1.14 4.08 0.22 3.41 2.96 -1.26 -4.94 118.68 122.02 2jm5 s LEU 81 Ca 0.19 2.66 -0.32 0.00 -0.22 0.00 0.00 54.13 56.44 2jm5 s LEU 81 Cb 0.16 -4.06 -0.13 0.00 0.50 0.00 0.00 46.19 42.66 2jm5 s LEU 81 CO 0.01 -1.08 1.53 -0.67 -1.32 0.00 0.00 176.35 174.82 2jm5 n ASP 82 N -0.30 3.20 -0.32 3.68 -0.08 -1.26 -4.82 116.55 116.65 2jm5 n ASP 82 Ca 0.06 1.12 0.08 0.00 -1.51 0.00 0.00 54.79 54.54 2jm5 n ASP 82 Cb 0.44 -1.48 0.29 0.00 2.34 0.00 0.00 41.12 42.72 2jm5 n ASP 82 CO 0.00 0.00 0.00 2.19 0.12 0.00 0.00 177.20 179.51 2jm5 h PHE 83 N 5.10 1.02 0.00 -0.67 -0.00 -1.99 0.12 116.94 120.52 2jm5 h PHE 83 Ca -0.45 0.03 -0.16 0.00 -0.00 0.00 0.00 57.97 57.38 2jm5 h PHE 83 Cb 1.25 -0.32 -0.02 0.00 -0.00 0.00 0.00 35.95 36.85 2jm5 h PHE 83 CO 0.59 0.41 -0.78 1.25 -0.00 0.00 0.00 178.31 179.78 2jm5 h HIS 84 N 0.89 0.00 -0.05 6.09 6.17 -1.98 -0.23 115.15 126.04 2jm5 h HIS 84 Ca 0.47 0.00 -0.02 0.00 0.71 0.00 0.00 60.37 61.53 2jm5 h HIS 84 Cb 0.53 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 30.46 2jm5 h HIS 84 CO -0.00 0.78 -0.04 1.15 0.71 0.00 0.00 177.93 180.53 2jm5 h THR 85 N 0.00 1.35 -0.44 6.26 2.02 -1.61 -2.12 112.91 118.37 2jm5 h THR 85 Ca -0.01 -1.11 0.08 0.00 0.77 0.00 0.00 66.41 66.14 2jm5 h THR 85 Cb 1.46 1.98 -0.07 0.00 -1.74 0.00 0.00 68.15 69.78 2jm5 h THR 85 CO 0.10 0.30 0.03 0.11 0.37 0.00 0.00 175.52 176.43 2jm5 h LYS 86 N -0.29 0.14 -0.19 6.66 1.57 -0.74 -2.31 116.57 121.39 2jm5 h LYS 86 Ca 0.01 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 2jm5 h LYS 86 Cb 0.51 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.71 2jm5 h LYS 86 CO 0.01 0.09 -0.43 1.49 -0.57 0.00 0.00 179.45 180.04 2jm5 h GLU 87 N 0.14 -0.44 -0.85 3.15 4.81 -0.93 0.33 114.58 120.79 2jm5 h GLU 87 Ca 0.22 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.46 2jm5 h GLU 87 Cb 0.30 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 2jm5 h GLU 87 CO -0.34 -0.30 0.45 0.28 -0.73 0.00 0.00 179.01 178.37 2jm5 h VAL 88 N -0.46 1.25 -0.12 0.32 2.07 -1.11 -1.53 116.25 116.66 2jm5 h VAL 88 Ca 0.09 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 2jm5 h VAL 88 Cb 0.62 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2jm5 h VAL 88 CO -0.44 0.29 0.04 0.40 0.02 0.00 0.00 177.57 177.87 2jm5 h ILE 89 N 1.19 1.18 0.00 4.57 2.04 -0.81 0.84 117.51 126.52 2jm5 h ILE 89 Ca 0.30 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 2jm5 h ILE 89 Cb 0.05 1.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 2jm5 h ILE 89 CO -0.05 0.17 -0.04 0.71 0.00 0.00 0.00 178.15 178.95 2jm5 h THR 90 N 0.01 0.49 0.02 -0.27 1.35 0.20 0.21 112.91 114.91 2jm5 h THR 90 Ca 0.04 -0.17 -0.33 0.00 -0.55 0.00 0.00 66.41 65.41 2jm5 h THR 90 Cb 0.23 1.11 -0.05 0.00 -1.73 0.00 0.00 68.15 67.71 2jm5 h THR 90 CO -0.00 0.04 -1.94 0.59 -0.25 0.00 0.00 175.52 173.96 2jm5 n ASN 91 N -3.72 0.98 -0.50 5.36 3.02 -0.63 -4.45 115.26 115.32 2jm5 n ASN 91 Ca -0.03 0.27 0.07 0.00 -0.03 0.00 0.00 54.58 54.86 2jm5 n ASN 91 Cb 0.13 -0.01 0.19 0.00 -0.61 0.00 0.00 39.78 39.48 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 -3.07 2.50 0.19 6.41 7.64 0.26 -4.57 113.62 122.98 2jm5 n SER 92 Ca -0.24 -3.36 0.08 0.00 1.01 0.00 0.00 58.87 56.36 2jm5 n SER 92 Cb 1.07 -0.50 0.19 0.00 -1.01 0.00 0.00 64.21 63.96 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 0.70 0.44 -0.42 0.44 6.09 -0.83 -3.01 117.51 120.93 2jm5 h ILE 93 Ca 0.03 -1.48 0.09 0.00 -1.37 0.00 0.00 64.86 62.13 2jm5 h ILE 93 Cb 1.18 2.10 -0.02 0.00 0.47 0.00 0.00 36.82 40.54 2jm5 h ILE 93 CO 0.10 0.23 0.29 0.00 -3.07 0.00 0.00 178.15 175.70 2jm5 h THR 94 N 0.00 0.88 -2.62 2.19 1.03 -1.84 -3.27 112.91 109.28 2jm5 h THR 94 Ca -0.00 -0.06 -0.60 0.00 -0.01 0.00 0.00 66.41 65.74 2jm5 h THR 94 Cb 1.08 0.69 -0.40 0.00 -1.07 0.00 0.00 68.15 68.45 2jm5 h THR 94 CO 0.03 0.03 -0.76 0.00 -0.01 0.00 0.00 175.52 174.81 2jm5 n GLN 95 N -4.46 1.25 -1.56 0.00 1.13 -1.14 -5.07 117.38 107.54 2jm5 n GLN 95 Ca 0.06 -3.94 -0.30 0.00 -1.94 0.00 0.00 57.00 50.88 2jm5 n GLN 95 Cb 0.36 -1.97 0.10 0.00 0.11 0.00 0.00 30.24 28.85 2jm5 n GLN 95 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2jm5 s PRO 96 N -1.05 1.80 0.24 -1.09 0.04 -1.23 -5.00 135.00 128.71 2jm5 s PRO 96 Ca 0.30 0.52 0.05 0.00 0.04 0.00 0.00 61.00 61.91 2jm5 s PRO 96 Cb 0.03 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.66 2jm5 s PRO 96 CO -0.16 -1.79 0.17 0.25 0.04 0.00 0.00 177.00 175.51 2jm5 n THR 97 N -3.53 0.00 0.28 1.26 -2.24 -1.26 -4.92 114.28 103.87 2jm5 n THR 97 Ca 0.07 -1.65 0.13 0.00 -2.27 0.00 0.00 64.05 60.33 2jm5 n THR 97 Cb 0.57 0.76 0.79 0.00 -2.10 0.00 0.00 70.33 70.35 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 0.00 -5.84 3.22 -0.00 -1.94 -3.00 115.31 107.75 2jm5 h LEU 98 Ca -0.18 0.00 -0.54 0.00 -0.00 0.00 0.00 57.88 57.17 2jm5 h LEU 98 Cb 0.82 0.00 -0.41 0.00 -0.00 0.00 0.00 40.66 41.07 2jm5 h LEU 98 CO 0.26 0.07 -0.97 1.41 -0.00 0.00 0.00 178.44 179.21 2jm5 n HIS 99 N -3.83 1.46 0.41 1.13 8.25 -1.26 -4.14 115.22 117.23 2jm5 n HIS 99 Ca -0.02 -3.85 0.09 0.00 -0.26 0.00 0.00 57.72 53.67 2jm5 n HIS 99 Cb 0.16 -0.44 0.39 0.00 1.12 0.00 0.00 29.99 31.22 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 0.43 0.33 -0.73 0.41 7.64 -1.13 -2.02 113.62 118.54 2jm5 n SER 100 Ca 0.26 0.59 0.03 0.00 1.01 0.00 0.00 58.87 60.76 2jm5 n SER 100 Cb 0.54 -0.66 0.20 0.00 -1.01 0.00 0.00 64.21 63.28 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 -1.87 0.35 -0.01 1.43 3.72 -1.26 -4.76 117.46 115.06 2jm5 n PHE 101 Ca 0.02 -1.47 -0.12 0.00 -0.05 0.00 0.00 57.45 55.83 2jm5 n PHE 101 Cb 0.18 -0.32 -0.08 0.00 -0.94 0.00 0.00 39.48 38.32 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 0.93 0.09 -0.59 4.37 1.82 -1.79 0.22 116.42 121.48 2jm5 h ASP 102 Ca 0.07 -0.31 -0.09 0.00 -0.39 0.00 0.00 57.03 56.30 2jm5 h ASP 102 Cb 1.21 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 41.18 2jm5 h ASP 102 CO 0.12 0.38 0.02 0.00 -1.61 0.00 0.00 179.24 178.15 2jm5 h ALA 103 N 0.71 0.79 -0.25 -0.78 0.00 -1.85 -2.52 119.26 115.36 2jm5 h ALA 103 Ca 0.01 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 2jm5 h ALA 103 Cb 0.34 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2jm5 h ALA 103 CO 0.00 0.61 -0.07 0.00 0.00 0.00 0.00 179.25 179.79 2jm5 h ALA 104 N 0.98 1.42 -0.42 0.00 0.00 -1.86 -0.85 119.26 118.53 2jm5 h ALA 104 Ca 0.17 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.90 2jm5 h ALA 104 Cb 0.53 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2jm5 h ALA 104 CO 0.03 0.41 0.23 0.37 0.00 0.00 0.00 179.25 180.28 2jm5 h GLN 105 N 0.38 0.44 -0.39 0.00 -0.00 -0.12 0.08 115.11 115.50 2jm5 h GLN 105 Ca 0.08 -0.03 -0.12 0.00 -0.00 0.00 0.00 58.65 58.58 2jm5 h GLN 105 Cb 0.37 -0.10 -0.01 0.00 0.00 0.00 0.00 27.48 27.73 2jm5 h GLN 105 CO 0.02 0.29 -0.23 1.03 0.00 0.00 0.00 178.83 179.94 2jm5 h SER 106 N 0.46 0.80 -0.53 -0.69 0.87 -1.15 -1.63 113.55 111.68 2jm5 h SER 106 Ca 0.17 -0.29 -0.06 0.00 -1.23 0.00 0.00 61.79 60.38 2jm5 h SER 106 Cb 0.05 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 2jm5 h SER 106 CO -0.10 1.00 0.11 0.03 -0.53 0.00 0.00 176.83 177.34 2jm5 h ARG 107 N 0.68 0.86 -0.33 2.24 2.47 -0.35 -0.40 114.38 119.55 2jm5 h ARG 107 Ca 0.09 -0.22 -0.15 0.00 -1.26 0.00 0.00 59.98 58.44 2jm5 h ARG 107 Cb 0.75 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.95 2jm5 h ARG 107 CO 0.06 0.83 -0.41 0.28 0.56 0.00 0.00 179.97 181.29 2jm5 h VAL 108 N 0.75 1.28 -0.04 2.04 2.07 -0.92 -1.35 116.25 120.08 2jm5 h VAL 108 Ca 0.16 -1.59 0.03 0.00 0.82 0.00 0.00 66.70 66.13 2jm5 h VAL 108 Cb 0.37 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 2jm5 h VAL 108 CO 0.01 0.52 -0.18 0.22 0.02 0.00 0.00 177.57 178.16 2jm5 h TYR 109 N 0.65 -0.46 -0.19 1.57 5.03 -1.03 -2.57 116.97 119.98 2jm5 h TYR 109 Ca 0.05 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.31 2jm5 h TYR 109 Cb 0.97 0.21 -0.01 0.00 1.55 0.00 0.00 36.73 39.45 2jm5 h TYR 109 CO 0.05 -0.26 -0.17 -0.56 -1.32 0.00 0.00 178.16 175.91 2jm5 h GLN 110 N -0.27 0.32 0.41 1.82 3.07 -0.86 -0.19 115.11 119.42 2jm5 h GLN 110 Ca 0.07 -0.09 -0.01 0.00 0.09 0.00 0.00 58.65 58.72 2jm5 h GLN 110 Cb 0.36 -0.04 -0.03 0.00 0.08 0.00 0.00 27.48 27.86 2jm5 h GLN 110 CO -0.20 0.48 -0.45 -0.07 0.09 0.00 0.00 178.83 178.68 2jm5 h LEU 111 N 0.29 -1.25 -0.05 0.06 3.38 -0.87 -1.51 115.31 115.36 2jm5 h LEU 111 Ca 0.05 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2jm5 h LEU 111 Cb 0.47 0.42 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2jm5 h LEU 111 CO 0.03 -0.60 0.00 0.00 0.09 0.00 0.00 178.44 177.96 2jm5 h MET 112 N -0.89 0.00 0.26 1.13 -0.00 -1.38 -3.02 114.93 111.03 2jm5 h MET 112 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.65 2jm5 h MET 112 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.40 2jm5 h MET 112 CO -0.09 0.00 -0.13 1.49 -0.00 0.00 0.00 176.91 178.19 2jm5 h GLU 113 N 0.00 -0.34 0.00 -0.10 4.81 -0.73 0.11 114.58 118.34 2jm5 h GLU 113 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2jm5 h GLU 113 Cb 0.86 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.32 2jm5 h GLU 113 CO 0.00 -0.23 0.00 0.00 -0.73 0.00 0.00 179.01 178.05 2jm5 n GLN 114 N -3.08 0.58 0.00 1.92 10.64 -0.60 -2.41 117.38 124.44 2jm5 n GLN 114 Ca -0.04 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.13 2jm5 n GLN 114 Cb 0.14 -1.13 0.00 0.00 -0.86 0.00 0.00 30.24 28.38 2jm5 n GLN 114 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 2jm5 n ASP 115 N -0.63 0.00 0.12 2.61 2.03 -1.14 -4.89 116.55 114.64 2jm5 n ASP 115 Ca 0.04 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.33 2jm5 n ASP 115 Cb 0.02 0.00 0.23 0.00 -0.72 0.00 0.00 41.12 40.65 2jm5 n ASP 115 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2jm5 h SER 116 N 0.00 0.16 0.17 1.67 0.02 -1.02 -3.17 113.55 111.37 2jm5 h SER 116 Ca 0.00 -0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 60.83 2jm5 h SER 116 Cb 0.00 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 2jm5 h SER 116 CO 0.00 0.60 -0.20 0.22 -1.14 0.00 0.00 176.83 176.31 2jm5 h TYR 117 N 0.12 0.08 0.33 3.45 3.20 -0.54 0.14 116.97 123.75 2jm5 h TYR 117 Ca 0.01 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 2jm5 h TYR 117 Cb 0.87 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.12 2jm5 h TYR 117 CO 0.01 0.28 -0.16 1.79 -1.64 0.00 0.00 178.16 178.44 2jm5 h THR 118 N 0.07 0.65 -0.09 1.81 1.35 -1.66 -1.10 112.91 113.94 2jm5 h THR 118 Ca 0.01 -0.57 -0.06 0.00 -0.55 0.00 0.00 66.41 65.24 2jm5 h THR 118 Cb 0.40 0.93 -0.01 0.00 -1.73 0.00 0.00 68.15 67.74 2jm5 h THR 118 CO 0.03 0.11 -0.20 0.03 -0.25 0.00 0.00 175.52 175.23 2jm5 h ARG 119 N -0.78 0.15 -0.05 4.72 -0.00 -1.62 -2.00 114.38 114.79 2jm5 h ARG 119 Ca -0.05 -0.04 0.03 0.00 -0.50 0.00 0.00 59.98 59.42 2jm5 h ARG 119 Cb 0.51 -0.02 -0.03 0.00 0.00 0.00 0.00 29.97 30.43 2jm5 h ARG 119 CO 0.07 0.35 -0.12 0.35 0.00 0.00 0.00 179.97 180.62 2jm5 h PHE 120 N 0.14 -0.31 0.00 3.04 3.57 -0.59 0.18 116.94 122.98 2jm5 h PHE 120 Ca 0.03 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2jm5 h PHE 120 Cb 0.44 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.33 2jm5 h PHE 120 CO 0.00 -0.18 -0.04 -0.07 -2.23 0.00 0.00 178.31 175.79 2jm5 h LEU 121 N -0.18 0.00 -1.79 0.59 3.38 -0.48 -1.55 115.31 115.28 2jm5 h LEU 121 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2jm5 h LEU 121 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2jm5 h LEU 121 CO -0.16 0.04 -0.03 0.29 0.09 0.00 0.00 178.44 178.68 2jm5 n LYS 122 N -3.33 1.99 -1.89 1.13 4.76 -0.72 -4.57 118.16 115.53 2jm5 n LYS 122 Ca -0.02 -1.75 -0.30 0.00 -2.87 0.00 0.00 58.31 53.37 2jm5 n LYS 122 Cb 0.19 -1.42 0.04 0.00 -1.84 0.00 0.00 35.03 31.99 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 -1.85 5.64 0.57 4.39 1.04 0.56 -4.89 113.70 119.16 2jm5 s SER 123 Ca 0.25 1.20 0.37 0.00 0.48 0.00 0.00 55.95 58.24 2jm5 s SER 123 Cb 0.18 -2.06 1.76 0.00 0.10 0.00 0.00 66.02 66.00 2jm5 s SER 123 CO 0.29 -1.22 2.11 -2.24 0.98 0.00 0.00 173.24 173.15 2jm5 h ASP 124 N -0.57 0.00 0.87 7.02 3.04 -1.90 -1.08 116.42 123.81 2jm5 h ASP 124 Ca -0.45 0.00 -0.04 0.00 -3.24 0.00 0.00 57.03 53.30 2jm5 h ASP 124 Cb 1.24 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 39.54 2jm5 h ASP 124 CO 0.63 0.00 -0.42 0.40 -2.04 0.00 0.00 179.24 177.82 2jm5 h ILE 125 N 0.00 0.06 -0.26 4.15 5.03 -1.91 -0.47 117.51 124.10 2jm5 h ILE 125 Ca 0.00 -0.11 -0.13 0.00 -0.12 0.00 0.00 64.86 64.50 2jm5 h ILE 125 Cb 0.28 0.06 -0.01 0.00 -3.03 0.00 0.00 36.82 34.12 2jm5 h ILE 125 CO 0.00 0.00 -0.38 0.22 -0.68 0.00 0.00 178.15 177.31 2jm5 h TYR 126 N -1.27 0.70 0.00 1.37 3.20 -1.55 -2.07 116.97 117.35 2jm5 h TYR 126 Ca -0.12 -0.20 -0.03 0.00 3.14 0.00 0.00 58.73 61.53 2jm5 h TYR 126 Cb 0.90 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 39.01 2jm5 h TYR 126 CO -0.00 0.89 -0.12 -0.07 -1.64 0.00 0.00 178.16 177.21 2jm5 h LEU 127 N 0.49 0.00 -0.49 2.82 -0.00 -1.24 -1.07 115.31 115.82 2jm5 h LEU 127 Ca 0.05 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.76 2jm5 h LEU 127 Cb 0.89 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.53 2jm5 h LEU 127 CO 0.08 0.12 -0.75 -0.78 -0.00 0.00 0.00 178.44 177.11 2jm5 h ASP 128 N 0.00 0.09 0.31 -0.43 3.58 -0.39 -1.13 116.42 118.45 2jm5 h ASP 128 Ca -0.00 -0.07 -0.07 0.00 0.42 0.00 0.00 57.03 57.31 2jm5 h ASP 128 Cb 0.35 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 2jm5 h ASP 128 CO 0.02 0.81 -0.32 -0.07 -2.88 0.00 0.00 179.24 176.80 2jm5 h LEU 129 N 0.05 0.01 0.00 2.28 3.38 -0.75 -3.38 115.31 116.90 2jm5 h LEU 129 Ca -0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2jm5 h LEU 129 Cb 1.32 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2jm5 h LEU 129 CO 0.10 0.33 0.00 0.23 0.09 0.00 0.00 178.44 179.19 2jm5 n MET 130 N -4.16 0.00 0.00 1.13 2.81 -0.91 -4.11 117.12 111.88 2jm5 n MET 130 Ca -0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 2jm5 n MET 130 Cb 0.36 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.87 2jm5 n MET 130 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 2jm5 n GLU 131 N 0.00 0.00 0.00 0.03 0.28 -0.45 -4.70 120.64 115.80 2jm5 n GLU 131 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2jm5 n GLU 131 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 2jm5 n GLU 131 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jm5 n GLY 132 N 0.00 3.66 3.78 -1.84 0.00 -1.25 -4.99 105.19 104.55 2jm5 n GLY 132 Ca 0.00 -0.57 -0.39 0.00 0.00 0.00 0.00 46.02 45.06 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 0.00 4.30 0.00 1.61 3.52 -1.26 -5.10 118.95 122.03 2jm5 s ARG 133 Ca 0.00 0.78 0.32 0.00 -0.13 0.00 0.00 55.73 56.70 2jm5 s ARG 133 Cb 0.00 -3.30 1.90 0.00 -1.56 0.00 0.00 34.95 31.99 2jm5 s ARG 133 CO 0.00 0.47 2.22 -0.35 -0.81 0.00 0.00 175.30 176.83