#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 1.68 -0.13 1.43 1.75 -1.26 -4.98 119.30 117.79 2jm5 s MET 2 Ca 0.00 -0.51 -0.03 0.00 -1.25 0.00 0.00 55.69 53.90 2jm5 s MET 2 Cb 0.00 -1.99 -0.03 0.00 2.84 0.00 0.00 34.83 35.65 2jm5 s MET 2 CO 0.00 -0.36 -0.04 0.54 -0.65 0.00 0.00 175.02 174.51 2jm5 s VAL 3 N 1.59 3.89 0.20 10.11 0.11 -1.26 -5.08 120.40 129.96 2jm5 s VAL 3 Ca 0.02 -0.37 -0.30 0.00 -2.93 0.00 0.00 61.98 58.40 2jm5 s VAL 3 Cb -0.14 -2.68 -0.09 0.00 -1.53 0.00 0.00 36.38 31.94 2jm5 s VAL 3 CO -0.08 0.52 1.30 -0.44 -3.33 0.00 0.00 175.10 173.07 2jm5 s SER 4 N 0.06 6.91 0.58 3.54 0.01 -1.26 -4.86 113.70 118.67 2jm5 s SER 4 Ca -0.00 2.39 0.31 0.00 1.31 0.00 0.00 55.95 59.95 2jm5 s SER 4 Cb -0.13 -2.61 1.42 0.00 0.21 0.00 0.00 66.02 64.90 2jm5 s SER 4 CO 0.03 -0.52 1.78 1.55 0.41 0.00 0.00 173.24 176.49 2jm5 h PRO 5 N 5.39 0.00 -0.01 12.44 0.13 -1.87 0.44 132.00 148.52 2jm5 h PRO 5 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2jm5 h PRO 5 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2jm5 h PRO 5 CO 0.77 0.00 -0.01 0.93 -0.23 0.00 0.00 178.00 179.46 2jm5 h GLU 6 N 0.00 0.03 -0.27 0.86 4.39 -1.90 -0.74 114.58 116.94 2jm5 h GLU 6 Ca 0.37 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.98 2jm5 h GLU 6 Cb 1.77 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.41 2jm5 h GLU 6 CO -0.00 0.51 -0.15 1.49 -1.16 0.00 0.00 179.01 179.69 2jm5 h GLU 7 N -0.46 0.47 -0.66 2.33 4.81 -1.50 -2.49 114.58 117.08 2jm5 h GLU 7 Ca 0.00 -0.14 -0.07 0.00 -0.13 0.00 0.00 59.36 59.02 2jm5 h GLU 7 Cb 0.51 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 2jm5 h GLU 7 CO 0.00 0.62 0.16 0.00 -0.73 0.00 0.00 179.01 179.06 2jm5 h ALA 8 N 1.41 0.87 0.00 2.92 0.00 -0.91 -2.20 119.26 121.35 2jm5 h ALA 8 Ca 0.08 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2jm5 h ALA 8 Cb 0.53 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2jm5 h ALA 8 CO 0.03 0.59 -0.18 -0.39 0.00 0.00 0.00 179.25 179.30 2jm5 h VAL 9 N 0.99 0.93 0.00 0.00 -1.51 -0.70 -1.48 116.25 114.48 2jm5 h VAL 9 Ca 0.21 -0.68 -0.02 0.00 -1.23 0.00 0.00 66.70 64.98 2jm5 h VAL 9 Cb 0.37 1.39 -0.00 0.00 -2.13 0.00 0.00 31.29 30.91 2jm5 h VAL 9 CO 0.00 0.18 -0.08 0.11 -1.23 0.00 0.00 177.57 176.55 2jm5 h LYS 10 N 0.00 0.00 0.00 5.19 6.56 -1.05 -1.01 116.57 126.26 2jm5 h LYS 10 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2jm5 h LYS 10 Cb 0.37 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.03 2jm5 h LYS 10 CO 0.02 0.08 0.00 -1.49 -2.06 0.00 0.00 179.45 176.00 2jm5 h TRP 11 N 0.00 0.00 -0.00 -1.35 6.55 -1.11 -0.56 115.95 119.47 2jm5 h TRP 11 Ca -0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 2jm5 h TRP 11 Cb 0.15 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.45 2jm5 h TRP 11 CO 0.00 0.00 -0.03 0.41 -1.05 0.00 0.00 178.44 177.77 2jm5 n GLY 12 N -0.54 -0.86 0.10 1.49 0.00 -0.38 -3.45 105.19 101.55 2jm5 n GLY 12 Ca -0.01 -0.25 -0.19 0.00 0.00 0.00 0.00 46.02 45.57 2jm5 n GLY 12 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2jm5 h GLU 13 N 0.54 0.11 -2.58 1.61 5.08 -1.21 -3.48 114.58 114.65 2jm5 h GLU 13 Ca 0.00 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.07 2jm5 h GLU 13 Cb 0.22 0.07 -0.24 0.00 0.50 0.00 0.00 28.75 29.29 2jm5 h GLU 13 CO 0.00 1.09 -0.20 0.45 -1.00 0.00 0.00 179.01 179.35 2jm5 s SER 14 N -6.74 -0.52 0.49 1.42 0.15 -1.22 -5.02 113.70 102.26 2jm5 s SER 14 Ca -0.21 0.96 0.14 0.00 0.70 0.00 0.00 55.95 57.54 2jm5 s SER 14 Cb 0.02 0.92 1.17 0.00 -1.71 0.00 0.00 66.02 66.43 2jm5 s SER 14 CO 0.70 -0.18 2.12 0.15 1.20 0.00 0.00 173.24 177.24 2jm5 h PHE 15 N 6.05 0.13 -0.84 3.44 3.57 -1.93 -2.24 116.94 125.13 2jm5 h PHE 15 Ca -0.30 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.19 2jm5 h PHE 15 Cb 1.18 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.84 2jm5 h PHE 15 CO 0.33 0.08 0.49 0.22 -2.23 0.00 0.00 178.31 177.20 2jm5 h ASP 16 N 0.14 1.01 0.58 0.41 3.58 -1.95 0.23 116.42 120.42 2jm5 h ASP 16 Ca 0.05 -0.07 -0.21 0.00 0.42 0.00 0.00 57.03 57.21 2jm5 h ASP 16 Cb 0.03 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.82 2jm5 h ASP 16 CO -0.01 0.79 -0.94 0.07 -2.88 0.00 0.00 179.24 176.27 2jm5 h LYS 17 N 1.15 0.23 -0.09 0.28 2.10 -1.77 -0.42 116.57 118.05 2jm5 h LYS 17 Ca 0.30 -0.27 0.02 0.00 -2.00 0.00 0.00 60.65 58.70 2jm5 h LYS 17 Cb -0.03 0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 31.36 2jm5 h LYS 17 CO -0.05 1.01 -0.04 1.25 -2.00 0.00 0.00 179.45 179.61 2jm5 h LEU 18 N 0.12 -0.14 -0.77 7.07 5.85 -1.23 -2.66 115.31 123.54 2jm5 h LEU 18 Ca -0.06 0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.57 2jm5 h LEU 18 Cb 1.59 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.69 2jm5 h LEU 18 CO 0.15 -0.06 -0.48 0.25 -0.34 0.00 0.00 178.44 177.96 2jm5 h LEU 19 N -0.04 0.35 -0.21 2.25 5.85 -0.42 -2.17 115.31 120.93 2jm5 h LEU 19 Ca 0.05 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.60 2jm5 h LEU 19 Cb 0.11 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.04 2jm5 h LEU 19 CO -0.11 0.78 0.00 -1.20 -0.34 0.00 0.00 178.44 177.57 2jm5 n SER 20 N -3.98 0.75 -4.70 1.25 7.64 -0.18 -4.18 113.62 110.22 2jm5 n SER 20 Ca -0.02 0.60 -0.40 0.00 1.01 0.00 0.00 58.87 60.07 2jm5 n SER 20 Cb 0.54 -0.79 -0.05 0.00 -1.01 0.00 0.00 64.21 62.89 2jm5 n SER 20 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2jm5 s HIS 21 N -3.16 3.49 0.26 1.43 5.65 -0.86 -4.95 115.29 117.15 2jm5 s HIS 21 Ca 0.09 1.09 -0.03 0.00 0.25 0.00 0.00 55.06 56.46 2jm5 s HIS 21 Cb 0.12 -2.78 0.37 0.00 -1.18 0.00 0.00 32.58 29.10 2jm5 s HIS 21 CO 0.53 -0.01 1.91 0.00 -0.65 0.00 0.00 174.74 176.52 2jm5 h ARG 22 N 7.03 1.20 0.00 2.88 -0.00 -1.83 0.58 114.38 124.24 2jm5 h ARG 22 Ca -0.37 -0.07 0.00 0.00 -0.50 0.00 0.00 59.98 59.04 2jm5 h ARG 22 Cb 1.17 -0.27 0.00 0.00 0.00 0.00 0.00 29.97 30.87 2jm5 h ARG 22 CO 0.77 0.79 -0.16 -0.40 0.00 0.00 0.00 179.97 180.97 2jm5 n ASP 23 N -4.45 0.22 -0.03 7.04 5.68 -1.26 -1.76 116.55 121.99 2jm5 n ASP 23 Ca 0.14 0.29 -0.21 0.00 -0.50 0.00 0.00 54.79 54.51 2jm5 n ASP 23 Cb 0.12 -0.30 -0.13 0.00 -1.14 0.00 0.00 41.12 39.67 2jm5 n ASP 23 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2jm5 h GLY 24 N 4.94 0.19 1.06 6.12 0.00 -1.13 0.22 103.07 114.47 2jm5 h GLY 24 Ca 0.00 -0.48 0.09 0.00 0.00 0.00 0.00 47.33 46.93 2jm5 h GLY 24 CO 0.00 0.42 0.41 -2.00 0.00 0.00 0.00 176.54 175.38 2jm5 h LEU 25 N -0.46 0.44 -0.05 3.11 6.46 0.53 0.12 115.31 125.48 2jm5 h LEU 25 Ca -0.33 0.01 -0.25 0.00 -0.12 0.00 0.00 57.88 57.18 2jm5 h LEU 25 Cb 1.65 -0.09 0.01 0.00 -0.73 0.00 0.00 40.66 41.50 2jm5 h LEU 25 CO -0.02 0.27 -1.07 -0.08 -0.62 0.00 0.00 178.44 176.92 2jm5 h GLU 26 N 0.50 0.42 -0.57 1.25 4.81 -1.37 0.43 114.58 120.05 2jm5 h GLU 26 Ca 0.28 -0.52 -0.03 0.00 -0.13 0.00 0.00 59.36 58.96 2jm5 h GLU 26 Cb 0.45 0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 2jm5 h GLU 26 CO -0.08 1.19 0.24 0.00 -0.73 0.00 0.00 179.01 179.62 2jm5 h ALA 27 N 0.62 0.74 -0.04 2.92 0.00 0.30 -1.64 119.26 122.15 2jm5 h ALA 27 Ca -0.11 -0.16 -0.22 0.00 0.00 0.00 0.00 54.91 54.42 2jm5 h ALA 27 Cb 1.74 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 19.31 2jm5 h ALA 27 CO 0.19 0.35 -0.88 0.35 0.00 0.00 0.00 179.25 179.25 2jm5 h PHE 28 N 0.78 0.74 -0.38 0.00 3.57 -0.79 -2.86 116.94 118.00 2jm5 h PHE 28 Ca 0.19 -0.37 -0.06 0.00 3.53 0.00 0.00 57.97 61.26 2jm5 h PHE 28 Cb 0.19 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 2jm5 h PHE 28 CO 0.01 1.18 -0.03 0.00 -2.23 0.00 0.00 178.31 177.24 2jm5 h THR 29 N 0.32 1.22 -0.18 4.41 1.03 0.07 0.23 112.91 120.02 2jm5 h THR 29 Ca -0.07 -0.92 -0.00 0.00 -0.01 0.00 0.00 66.41 65.41 2jm5 h THR 29 Cb 1.51 0.96 -0.01 0.00 -1.07 0.00 0.00 68.15 69.54 2jm5 h THR 29 CO 0.16 0.31 0.10 0.03 -0.01 0.00 0.00 175.52 176.11 2jm5 h ARG 30 N 0.58 0.25 -0.88 0.00 3.08 -1.22 0.32 114.38 116.50 2jm5 h ARG 30 Ca 0.12 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2jm5 h ARG 30 Cb 0.41 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.37 2jm5 h ARG 30 CO 0.02 0.24 0.55 0.35 -1.07 0.00 0.00 179.97 180.06 2jm5 h PHE 31 N 0.19 1.14 -0.06 3.04 3.57 -1.18 -0.82 116.94 122.82 2jm5 h PHE 31 Ca 0.06 0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.39 2jm5 h PHE 31 Cb 0.07 -0.38 0.01 0.00 2.79 0.00 0.00 35.95 38.44 2jm5 h PHE 31 CO -0.04 0.74 -0.68 1.25 -2.23 0.00 0.00 178.31 177.35 2jm5 h LEU 32 N 1.20 0.70 -0.78 0.59 5.85 -0.10 -3.26 115.31 119.52 2jm5 h LEU 32 Ca 0.32 -0.70 -0.04 0.00 0.84 0.00 0.00 57.88 58.30 2jm5 h LEU 32 Cb -0.08 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.70 2jm5 h LEU 32 CO -0.06 1.29 0.34 0.11 -0.34 0.00 0.00 178.44 179.78 2jm5 h LYS 33 N 0.17 1.15 0.00 1.25 1.57 -0.17 0.57 116.57 121.10 2jm5 h LYS 33 Ca -0.07 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2jm5 h LYS 33 Cb 1.35 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2jm5 h LYS 33 CO 0.14 0.92 0.00 -2.37 -0.57 0.00 0.00 179.45 177.57 2jm5 n THR 34 N -4.32 0.37 -2.15 -0.16 5.66 -0.33 -1.15 114.28 112.20 2jm5 n THR 34 Ca 0.07 0.09 0.05 0.00 -3.05 0.00 0.00 64.05 61.21 2jm5 n THR 34 Cb 0.17 -0.84 0.08 0.00 -1.55 0.00 0.00 70.33 68.18 2jm5 n THR 34 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 2jm5 n GLU 35 N -1.19 0.53 -1.55 1.09 0.28 -1.00 -5.00 120.64 113.80 2jm5 n GLU 35 Ca 0.09 -2.37 -0.11 0.00 -0.16 0.00 0.00 57.16 54.61 2jm5 n GLU 35 Cb 0.10 -0.57 -0.04 0.00 1.43 0.00 0.00 31.44 32.36 2jm5 n GLU 35 CO 0.00 0.00 0.00 1.97 -0.16 0.00 0.00 177.13 178.94 2jm5 n PHE 36 N -0.09 -0.69 0.55 -1.84 1.16 -0.30 -4.78 117.46 111.48 2jm5 n PHE 36 Ca 0.10 0.00 0.10 0.00 -1.87 0.00 0.00 57.45 55.78 2jm5 n PHE 36 Cb 0.97 -2.35 0.27 0.00 -1.61 0.00 0.00 39.48 36.76 2jm5 n PHE 36 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2jm5 n SER 37 N -0.56 2.75 0.06 5.98 2.88 0.16 -4.33 113.62 120.55 2jm5 n SER 37 Ca -0.11 -1.92 0.21 0.00 -1.33 0.00 0.00 58.87 55.72 2jm5 n SER 37 Cb 0.41 -0.26 0.74 0.00 -0.75 0.00 0.00 64.21 64.35 2jm5 n SER 37 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2jm5 h GLU 38 N 3.34 0.00 -0.16 -1.46 4.11 -1.81 -1.68 114.58 116.92 2jm5 h GLU 38 Ca 0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.48 2jm5 h GLU 38 Cb 0.75 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2jm5 h GLU 38 CO 0.00 0.00 0.19 1.05 0.07 0.00 0.00 179.01 180.32 2jm5 h GLU 39 N 0.00 0.00 0.18 1.06 4.11 -1.92 -0.91 114.58 117.10 2jm5 h GLU 39 Ca 0.22 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.39 2jm5 h GLU 39 Cb 1.14 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.42 2jm5 h GLU 39 CO -0.00 0.00 -1.12 -0.91 0.07 0.00 0.00 179.01 177.05 2jm5 h ASN 40 N 0.00 0.68 -0.44 3.06 4.21 -1.67 -0.83 115.58 120.59 2jm5 h ASN 40 Ca 0.08 -0.91 -0.05 0.00 1.21 0.00 0.00 56.30 56.62 2jm5 h ASN 40 Cb 0.46 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 37.42 2jm5 h ASN 40 CO -0.00 1.54 0.07 -0.29 -1.29 0.00 0.00 177.43 177.46 2jm5 h ILE 41 N -0.07 1.24 0.00 2.81 6.09 -1.44 -1.80 117.51 124.34 2jm5 h ILE 41 Ca -0.19 -0.89 -0.05 0.00 -1.37 0.00 0.00 64.86 62.37 2jm5 h ILE 41 Cb 1.87 0.97 -0.01 0.00 0.47 0.00 0.00 36.82 40.12 2jm5 h ILE 41 CO 0.21 0.31 -0.22 -0.33 -3.07 0.00 0.00 178.15 175.05 2jm5 h GLU 42 N 0.59 0.00 0.56 2.19 3.07 -1.30 -2.71 114.58 116.97 2jm5 h GLU 42 Ca 0.13 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.97 2jm5 h GLU 42 Cb 0.38 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 2jm5 h GLU 42 CO 0.01 0.22 -0.37 0.35 -1.40 0.00 0.00 179.01 177.82 2jm5 h PHE 43 N 0.00 -0.98 0.00 4.33 3.57 -0.25 0.88 116.94 124.49 2jm5 h PHE 43 Ca -0.00 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 2jm5 h PHE 43 Cb 0.84 0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 2jm5 h PHE 43 CO 0.00 -0.55 -0.22 0.11 -2.23 0.00 0.00 178.31 175.42 2jm5 h TRP 44 N -0.89 0.00 -0.75 0.41 5.08 -1.53 -2.54 115.95 115.73 2jm5 h TRP 44 Ca -0.07 0.00 0.05 0.00 1.08 0.00 0.00 58.89 59.95 2jm5 h TRP 44 Cb 0.73 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 26.84 2jm5 h TRP 44 CO -0.12 0.22 0.46 0.82 -1.28 0.00 0.00 178.44 178.54 2jm5 h ILE 45 N 0.00 1.06 -0.39 0.12 2.04 -1.27 0.29 117.51 119.35 2jm5 h ILE 45 Ca -0.00 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 2jm5 h ILE 45 Cb 1.00 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 2jm5 h ILE 45 CO 0.03 0.16 0.17 0.00 0.00 0.00 0.00 178.15 178.51 2jm5 h ALA 46 N 1.35 0.50 -0.03 1.87 0.00 -0.60 -1.91 119.26 120.43 2jm5 h ALA 46 Ca 0.32 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 2jm5 h ALA 46 Cb 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2jm5 h ALA 46 CO -0.14 0.08 -0.67 0.00 0.00 0.00 0.00 179.25 178.52 2jm5 h GLU 48 N 0.09 0.57 0.00 0.00 4.39 -0.44 -2.56 114.58 116.63 2jm5 h GLU 48 Ca -0.01 -0.57 -0.05 0.00 0.34 0.00 0.00 59.36 59.07 2jm5 h GLU 48 Cb 1.19 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.99 2jm5 h GLU 48 CO 0.10 1.19 -0.24 0.22 -1.16 0.00 0.00 179.01 179.11 2jm5 h ASP 49 N 0.17 0.00 -0.57 1.42 3.58 -1.25 -0.38 116.42 119.39 2jm5 h ASP 49 Ca -0.09 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.39 2jm5 h ASP 49 Cb 1.43 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.45 2jm5 h ASP 49 CO 0.15 0.24 0.35 0.15 -2.88 0.00 0.00 179.24 177.25 2jm5 h PHE 50 N 0.00 0.65 -0.00 0.28 3.57 -0.60 -2.00 116.94 118.84 2jm5 h PHE 50 Ca -0.00 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 2jm5 h PHE 50 Cb 0.45 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 2jm5 h PHE 50 CO 0.00 0.37 -0.17 0.87 -2.23 0.00 0.00 178.31 177.15 2jm5 h LYS 51 N 0.68 0.00 -0.07 1.11 1.57 -0.65 -1.73 116.57 117.48 2jm5 h LYS 51 Ca 0.23 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.95 2jm5 h LYS 51 Cb 0.03 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 2jm5 h LYS 51 CO -0.10 0.17 -0.25 0.87 -0.57 0.00 0.00 179.45 179.57 2jm5 h LYS 52 N 0.00 0.13 -6.35 3.15 6.56 -0.86 -3.43 116.57 115.78 2jm5 h LYS 52 Ca -0.00 -0.04 -0.54 0.00 -1.06 0.00 0.00 60.65 59.01 2jm5 h LYS 52 Cb 0.30 -0.01 0.01 0.00 -0.57 0.00 0.00 32.23 31.96 2jm5 h LYS 52 CO 0.02 0.38 1.15 -1.12 -2.06 0.00 0.00 179.45 177.82 2jm5 s SER 53 N -6.92 6.54 -0.40 0.86 0.01 -0.65 -4.92 113.70 108.22 2jm5 s SER 53 Ca -0.04 2.51 -0.15 0.00 1.31 0.00 0.00 55.95 59.58 2jm5 s SER 53 Cb 0.15 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.85 2jm5 s SER 53 CO 0.73 -0.99 0.30 -0.75 0.41 0.00 0.00 173.24 172.94 2jm5 s LYS 54 N 4.01 3.09 0.00 12.44 2.47 -1.26 -4.80 119.74 135.69 2jm5 s LYS 54 Ca 0.81 -0.92 0.00 0.00 -1.56 0.00 0.00 55.97 54.31 2jm5 s LYS 54 Cb -0.39 -3.94 0.00 0.00 -1.46 0.00 0.00 37.83 32.03 2jm5 s LYS 54 CO 0.36 -0.69 0.00 0.41 0.16 0.00 0.00 175.35 175.59 2jm5 n GLY 55 N 5.14 3.67 0.25 5.54 0.00 -1.26 -4.89 105.19 113.64 2jm5 n GLY 55 Ca -0.11 -0.43 0.04 0.00 0.00 0.00 0.00 46.02 45.52 2jm5 n GLY 55 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2jm5 h PRO 56 N 0.00 0.22 -0.10 1.61 0.11 -2.00 -1.31 132.00 130.53 2jm5 h PRO 56 Ca 0.00 -0.03 -0.21 0.00 0.11 0.00 0.00 66.00 65.87 2jm5 h PRO 56 Cb 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.07 2jm5 h PRO 56 CO 0.00 0.27 -0.78 1.96 -0.21 0.00 0.00 178.00 179.25 2jm5 h GLN 57 N 0.21 0.57 -0.55 1.05 4.20 -1.99 -2.90 115.11 115.70 2jm5 h GLN 57 Ca 0.05 -0.49 -0.00 0.00 0.06 0.00 0.00 58.65 58.27 2jm5 h GLN 57 Cb 0.21 0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 2jm5 h GLN 57 CO 0.01 1.11 0.33 0.37 -0.67 0.00 0.00 178.83 179.98 2jm5 h GLN 58 N 0.38 0.75 -0.25 1.46 5.75 -1.68 -1.66 115.11 119.86 2jm5 h GLN 58 Ca -0.05 -0.06 0.04 0.00 -0.15 0.00 0.00 58.65 58.43 2jm5 h GLN 58 Cb 1.38 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 29.74 2jm5 h GLN 58 CO 0.15 0.53 0.03 0.82 -2.65 0.00 0.00 178.83 177.70 2jm5 h ILE 59 N 0.76 0.85 0.20 2.39 1.08 -1.06 -1.36 117.51 120.37 2jm5 h ILE 59 Ca 0.20 -0.04 0.01 0.00 -0.39 0.00 0.00 64.86 64.64 2jm5 h ILE 59 Cb -0.03 0.73 -0.04 0.00 -3.07 0.00 0.00 36.82 34.42 2jm5 h ILE 59 CO -0.04 0.02 -0.42 0.45 -0.69 0.00 0.00 178.15 177.47 2jm5 h HIS 60 N 0.11 -1.17 -0.41 1.37 3.86 -1.25 0.24 115.15 117.90 2jm5 h HIS 60 Ca 0.12 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.25 2jm5 h HIS 60 Cb 0.13 0.49 -0.02 0.00 1.06 0.00 0.00 27.41 29.07 2jm5 h HIS 60 CO -0.18 -0.53 -0.15 1.37 0.86 0.00 0.00 177.93 179.30 2jm5 h LEU 61 N -0.71 0.76 -0.41 2.43 8.10 -1.48 0.36 115.31 124.37 2jm5 h LEU 61 Ca 0.00 -0.25 -0.10 0.00 0.11 0.00 0.00 57.88 57.65 2jm5 h LEU 61 Cb 0.70 -0.21 -0.01 0.00 -0.44 0.00 0.00 40.66 40.70 2jm5 h LEU 61 CO -0.19 0.92 -0.12 0.11 -4.11 0.00 0.00 178.44 175.05 2jm5 h LYS 62 N 0.69 0.80 -0.05 0.17 1.79 -1.03 -1.32 116.57 117.61 2jm5 h LYS 62 Ca 0.11 -0.32 -0.00 0.00 -2.18 0.00 0.00 60.65 58.26 2jm5 h LYS 62 Cb 0.64 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.25 2jm5 h LYS 62 CO 0.04 0.94 0.02 0.00 -1.08 0.00 0.00 179.45 179.37 2jm5 h ALA 63 N 0.84 0.07 -0.88 3.86 0.00 -0.18 -2.11 119.26 120.86 2jm5 h ALA 63 Ca 0.10 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.01 2jm5 h ALA 63 Cb 0.65 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.34 2jm5 h ALA 63 CO 0.04 -0.33 0.51 0.87 0.00 0.00 0.00 179.25 180.35 2jm5 h LYS 64 N -0.10 0.81 0.15 0.00 1.79 -0.91 0.27 116.57 118.58 2jm5 h LYS 64 Ca 0.02 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 2jm5 h LYS 64 Cb 0.20 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 2jm5 h LYS 64 CO -0.00 0.53 -0.07 0.00 -1.08 0.00 0.00 179.45 178.83 2jm5 h ALA 65 N 1.49 -0.21 -0.48 3.86 0.00 -0.97 0.31 119.26 123.25 2jm5 h ALA 65 Ca 0.43 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.16 2jm5 h ALA 65 Cb 0.42 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2jm5 h ALA 65 CO -0.26 -0.59 -0.13 0.82 0.00 0.00 0.00 179.25 179.09 2jm5 h ILE 66 N -0.26 1.27 0.37 0.00 2.04 -1.00 -2.11 117.51 117.81 2jm5 h ILE 66 Ca -0.02 -1.27 -0.00 0.00 1.00 0.00 0.00 64.86 64.57 2jm5 h ILE 66 Cb 0.20 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 2jm5 h ILE 66 CO 0.03 0.44 -0.47 0.22 0.00 0.00 0.00 178.15 178.37 2jm5 h TYR 67 N 0.79 -1.30 0.00 1.37 3.20 -0.29 -0.37 116.97 120.36 2jm5 h TYR 67 Ca 0.12 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2jm5 h TYR 67 Cb 0.69 0.52 0.00 0.00 1.54 0.00 0.00 36.73 39.48 2jm5 h TYR 67 CO 0.05 -0.61 0.00 0.93 -1.64 0.00 0.00 178.16 176.89 2jm5 h GLU 68 N -0.87 0.00 0.00 1.82 5.08 -0.92 0.13 114.58 119.81 2jm5 h GLU 68 Ca -0.03 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 2jm5 h GLU 68 Cb 0.80 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 2jm5 h GLU 68 CO -0.12 0.00 -1.05 -0.22 -1.00 0.00 0.00 179.01 176.62 2jm5 h LYS 69 N 0.00 0.00 0.00 2.33 3.64 -1.12 -3.39 116.57 118.03 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 0.61 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2jm5 h LYS 69 CO 0.00 0.15 -0.03 1.19 -2.27 0.00 0.00 179.45 178.50 2jm5 n PHE 70 N -2.84 -1.87 0.30 1.91 3.72 -0.17 -2.27 117.46 116.25 2jm5 n PHE 70 Ca -0.03 0.33 0.18 0.00 -0.05 0.00 0.00 57.45 57.88 2jm5 n PHE 70 Cb 0.68 0.48 0.95 0.00 -0.94 0.00 0.00 39.48 40.65 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 0.25 -4.11 4.37 1.08 -0.85 -2.86 117.51 115.39 2jm5 h ILE 71 Ca 0.00 -0.22 -0.50 0.00 -0.39 0.00 0.00 64.86 63.75 2jm5 h ILE 71 Cb 0.03 1.17 0.07 0.00 -3.07 0.00 0.00 36.82 35.02 2jm5 h ILE 71 CO 0.00 0.03 0.41 -1.10 -0.69 0.00 0.00 178.15 176.80 2jm5 s GLN 72 N -4.18 3.32 -0.08 2.37 -1.52 -0.16 -4.89 119.66 114.52 2jm5 s GLN 72 Ca -0.03 1.51 -0.25 0.00 -1.95 0.00 0.00 55.36 54.63 2jm5 s GLN 72 Cb 0.13 -2.01 -0.27 0.00 -0.22 0.00 0.00 33.01 30.64 2jm5 s GLN 72 CO 0.50 -0.85 0.90 1.15 -0.25 0.00 0.00 175.29 176.74 2jm5 h THR 73 N 1.00 1.63 -2.68 -0.19 2.02 -1.91 -3.36 112.91 109.42 2jm5 h THR 73 Ca -0.49 -2.25 -0.73 0.00 0.77 0.00 0.00 66.41 63.71 2jm5 h THR 73 Cb 1.25 3.11 -0.20 0.00 -1.74 0.00 0.00 68.15 70.57 2jm5 h THR 73 CO 0.57 0.61 0.80 -0.62 0.37 0.00 0.00 175.52 177.25 2jm5 s ASP 74 N -6.45 6.81 0.04 4.18 -1.08 -1.26 -4.87 116.67 114.03 2jm5 s ASP 74 Ca -0.16 -2.49 -0.01 0.00 -0.52 0.00 0.00 52.55 49.36 2jm5 s ASP 74 Cb -0.01 -2.35 -0.03 0.00 -1.46 0.00 0.00 42.92 39.07 2jm5 s ASP 74 CO 0.75 -0.85 -0.02 0.00 0.52 0.00 0.00 175.17 175.57 2jm5 s ALA 75 N 1.70 0.31 0.42 3.66 0.00 -1.26 -4.95 121.76 121.64 2jm5 s ALA 75 Ca 0.32 -0.91 0.19 0.00 0.00 0.00 0.00 51.96 51.56 2jm5 s ALA 75 Cb -0.06 0.22 1.14 0.00 0.00 0.00 0.00 23.12 24.42 2jm5 s ALA 75 CO -0.07 -0.28 2.00 -1.00 0.00 0.00 0.00 175.76 176.40 2jm5 h PRO 76 N 3.78 0.00 0.00 0.00 0.13 -1.75 -3.35 132.00 130.82 2jm5 h PRO 76 Ca -0.33 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.67 2jm5 h PRO 76 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2jm5 h PRO 76 CO 0.55 0.19 -1.24 1.63 -0.23 0.00 0.00 178.00 178.90 2jm5 n LYS 77 N -4.01 0.36 -0.59 0.86 4.76 -0.96 -5.09 118.16 113.49 2jm5 n LYS 77 Ca -0.02 0.15 0.07 0.00 -2.87 0.00 0.00 58.31 55.64 2jm5 n LYS 77 Cb 0.27 -1.13 -0.04 0.00 -1.84 0.00 0.00 35.03 32.29 2jm5 n LYS 77 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2jm5 n GLU 78 N -4.00 -1.37 -3.99 1.97 1.02 -1.21 -5.02 120.64 108.04 2jm5 n GLU 78 Ca -0.21 1.11 -0.10 0.00 -0.02 0.00 0.00 57.16 57.94 2jm5 n GLU 78 Cb 0.52 -1.60 -0.11 0.00 -0.02 0.00 0.00 31.44 30.22 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 -3.39 0.19 0.00 2.62 1.01 -1.08 -4.86 120.40 114.89 2jm5 s VAL 79 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.12 2jm5 s VAL 79 Cb 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 36.07 2jm5 s VAL 79 CO 0.00 -0.43 1.38 0.59 0.00 0.00 0.00 175.10 176.65 2jm5 n ASN 80 N 1.71 3.88 -4.78 3.32 3.02 -1.26 -4.89 115.26 116.26 2jm5 n ASN 80 Ca -0.23 -2.12 -0.37 0.00 -0.03 0.00 0.00 54.58 51.83 2jm5 n ASN 80 Cb 0.55 -0.75 -0.05 0.00 -0.61 0.00 0.00 39.78 38.93 2jm5 n ASN 80 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2jm5 s LEU 81 N 0.00 4.18 0.20 3.41 2.96 -1.26 -4.97 118.68 123.20 2jm5 s LEU 81 Ca 0.00 2.00 -0.32 0.00 -0.22 0.00 0.00 54.13 55.59 2jm5 s LEU 81 Cb 0.00 -4.15 -0.14 0.00 0.50 0.00 0.00 46.19 42.41 2jm5 s LEU 81 CO 0.00 -0.40 1.47 -0.67 -1.32 0.00 0.00 176.35 175.43 2jm5 n ASP 82 N 0.07 2.84 -0.23 3.68 2.03 -1.26 -4.88 116.55 118.79 2jm5 n ASP 82 Ca 0.04 1.12 -0.00 0.00 0.52 0.00 0.00 54.79 56.47 2jm5 n ASP 82 Cb 0.50 -1.42 0.11 0.00 -0.72 0.00 0.00 41.12 39.59 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 4.88 0.65 -0.30 -0.67 3.57 -1.98 -1.74 116.94 121.35 2jm5 h PHE 83 Ca -0.45 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 60.99 2jm5 h PHE 83 Cb 1.27 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.80 2jm5 h PHE 83 CO 0.59 0.28 -0.17 1.25 -2.23 0.00 0.00 178.31 178.03 2jm5 h HIS 84 N 0.64 0.57 0.08 0.41 2.76 -1.98 0.21 115.15 117.84 2jm5 h HIS 84 Ca 0.32 -0.10 -0.00 0.00 -2.20 0.00 0.00 60.37 58.38 2jm5 h HIS 84 Cb 0.26 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.07 2jm5 h HIS 84 CO -0.09 0.67 -0.04 1.15 -1.30 0.00 0.00 177.93 178.32 2jm5 h THR 85 N 0.48 1.07 -0.20 6.26 2.02 -1.79 -1.68 112.91 119.07 2jm5 h THR 85 Ca 0.08 -0.55 -0.06 0.00 0.77 0.00 0.00 66.41 66.65 2jm5 h THR 85 Cb 0.57 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 2jm5 h THR 85 CO 0.04 0.14 -0.14 0.07 0.37 0.00 0.00 175.52 175.99 2jm5 h LYS 86 N -0.36 0.33 -0.12 6.66 2.10 -1.10 -2.40 116.57 121.68 2jm5 h LYS 86 Ca -0.01 -0.09 0.04 0.00 -2.00 0.00 0.00 60.65 58.59 2jm5 h LYS 86 Cb 0.31 -0.04 -0.05 0.00 -0.90 0.00 0.00 32.23 31.55 2jm5 h LYS 86 CO 0.02 0.48 -0.17 1.49 -2.00 0.00 0.00 179.45 179.26 2jm5 h GLU 87 N 0.31 -0.21 -0.85 0.07 4.81 -0.40 0.22 114.58 118.52 2jm5 h GLU 87 Ca 0.06 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2jm5 h GLU 87 Cb 0.45 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.83 2jm5 h GLU 87 CO 0.03 -0.14 0.53 0.28 -0.73 0.00 0.00 179.01 178.98 2jm5 h VAL 88 N -0.22 1.23 -0.53 0.32 2.07 -0.84 -2.09 116.25 116.20 2jm5 h VAL 88 Ca 0.09 -0.47 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 2jm5 h VAL 88 Cb 0.36 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 2jm5 h VAL 88 CO -0.25 0.23 0.15 0.40 0.02 0.00 0.00 177.57 178.12 2jm5 h ILE 89 N 1.16 1.24 -0.23 4.57 2.04 -0.97 0.60 117.51 125.91 2jm5 h ILE 89 Ca 0.31 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 2jm5 h ILE 89 Cb -0.08 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 2jm5 h ILE 89 CO -0.06 0.30 0.08 0.71 0.00 0.00 0.00 178.15 179.17 2jm5 h THR 90 N 0.73 1.11 0.09 -0.27 1.35 0.04 0.97 112.91 116.93 2jm5 h THR 90 Ca 0.17 -0.35 -0.16 0.00 -0.55 0.00 0.00 66.41 65.52 2jm5 h THR 90 Cb 0.30 0.85 0.01 0.00 -1.73 0.00 0.00 68.15 67.58 2jm5 h THR 90 CO -0.00 0.13 -0.74 0.78 -0.25 0.00 0.00 175.52 175.44 2jm5 h ASN 91 N 0.33 0.31 -0.68 5.36 2.35 -0.92 -3.37 115.58 118.96 2jm5 h ASN 91 Ca 0.08 -0.92 0.00 0.00 -0.55 0.00 0.00 56.30 54.91 2jm5 h ASN 91 Cb 0.10 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2jm5 h ASN 91 CO -0.01 1.34 0.00 -1.20 -1.65 0.00 0.00 177.43 175.91 2jm5 n SER 92 N -4.23 4.49 0.25 5.81 7.64 0.16 -4.21 113.62 123.54 2jm5 n SER 92 Ca -0.16 -2.30 0.14 0.00 1.01 0.00 0.00 58.87 57.57 2jm5 n SER 92 Cb 0.74 -0.55 0.58 0.00 -1.01 0.00 0.00 64.21 63.98 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 4.14 0.22 -0.22 0.44 6.09 -0.97 -2.05 117.51 125.15 2jm5 h ILE 93 Ca 0.00 -0.77 0.01 0.00 -1.37 0.00 0.00 64.86 62.73 2jm5 h ILE 93 Cb 1.30 1.63 -0.01 0.00 0.47 0.00 0.00 36.82 40.20 2jm5 h ILE 93 CO 0.15 0.09 0.15 0.00 -3.07 0.00 0.00 178.15 175.47 2jm5 h THR 94 N 0.00 1.05 -2.42 2.19 1.03 -1.84 -3.30 112.91 109.62 2jm5 h THR 94 Ca -0.00 -0.10 -0.59 0.00 -0.01 0.00 0.00 66.41 65.71 2jm5 h THR 94 Cb 0.62 0.74 -0.40 0.00 -1.07 0.00 0.00 68.15 68.04 2jm5 h THR 94 CO 0.01 0.05 -0.84 0.00 -0.01 0.00 0.00 175.52 174.74 2jm5 n GLN 95 N -4.50 1.16 -2.09 0.00 6.02 -0.77 -5.05 117.38 112.14 2jm5 n GLN 95 Ca 0.00 -3.80 -0.27 0.00 -0.01 0.00 0.00 57.00 52.93 2jm5 n GLN 95 Cb 0.08 -1.83 0.07 0.00 1.02 0.00 0.00 30.24 29.59 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 -1.10 2.22 0.25 -1.09 0.04 -1.23 -4.96 135.00 129.12 2jm5 s PRO 96 Ca 0.33 -0.06 -0.01 0.00 0.04 0.00 0.00 61.00 61.29 2jm5 s PRO 96 Cb 0.07 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2jm5 s PRO 96 CO -0.14 -1.31 0.33 0.25 0.04 0.00 0.00 177.00 176.18 2jm5 n THR 97 N -3.04 0.00 0.20 1.26 -2.24 -1.26 -4.89 114.28 104.31 2jm5 n THR 97 Ca 0.08 -1.27 0.06 0.00 -2.27 0.00 0.00 64.05 60.65 2jm5 n THR 97 Cb 0.60 0.77 0.56 0.00 -2.10 0.00 0.00 70.33 70.16 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 0.08 -3.48 3.22 4.07 -1.94 -2.61 115.31 114.65 2jm5 h LEU 98 Ca -0.19 -0.01 -0.26 0.00 0.08 0.00 0.00 57.88 57.50 2jm5 h LEU 98 Cb 0.83 -0.02 -0.16 0.00 1.08 0.00 0.00 40.66 42.40 2jm5 h LEU 98 CO 0.26 0.12 0.01 1.41 -1.08 0.00 0.00 178.44 179.16 2jm5 n HIS 99 N -4.46 1.50 0.20 1.13 8.25 -1.26 -4.58 115.22 116.00 2jm5 n HIS 99 Ca -0.02 -1.73 0.15 0.00 -0.26 0.00 0.00 57.72 55.86 2jm5 n HIS 99 Cb 0.14 -0.58 0.76 0.00 1.12 0.00 0.00 29.99 31.42 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 1.08 0.00 -0.34 0.41 0.02 -1.86 -0.52 113.55 112.35 2jm5 h SER 100 Ca 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 2jm5 h SER 100 Cb 1.79 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.33 2jm5 h SER 100 CO 0.55 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.73 2jm5 n PHE 101 N -4.14 1.03 -0.11 3.45 3.72 -1.26 -4.72 117.46 115.43 2jm5 n PHE 101 Ca 0.01 -0.78 -0.08 0.00 -0.05 0.00 0.00 57.45 56.54 2jm5 n PHE 101 Cb 0.26 -0.28 -0.01 0.00 -0.94 0.00 0.00 39.48 38.51 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 2.24 0.40 -0.37 4.37 1.82 -1.41 0.26 116.42 123.73 2jm5 h ASP 102 Ca 0.00 -0.01 -0.10 0.00 -0.39 0.00 0.00 57.03 56.53 2jm5 h ASP 102 Cb 1.39 -0.10 -0.02 0.00 0.68 0.00 0.00 39.33 41.28 2jm5 h ASP 102 CO 0.22 0.29 -0.14 0.00 -1.61 0.00 0.00 179.24 178.00 2jm5 h ALA 103 N 1.13 0.91 -0.17 -0.78 0.00 -1.84 -2.55 119.26 115.96 2jm5 h ALA 103 Ca 0.13 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 2jm5 h ALA 103 Cb -0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2jm5 h ALA 103 CO -0.03 0.63 -0.20 0.00 0.00 0.00 0.00 179.25 179.65 2jm5 h ALA 104 N 1.09 1.36 -0.23 0.00 0.00 -1.66 -1.00 119.26 118.83 2jm5 h ALA 104 Ca 0.12 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 2jm5 h ALA 104 Cb 0.65 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2jm5 h ALA 104 CO 0.05 0.44 -0.47 1.96 0.00 0.00 0.00 179.25 181.23 2jm5 h GLN 105 N 0.26 0.60 -0.25 0.00 1.08 -0.57 -0.20 115.11 116.04 2jm5 h GLN 105 Ca 0.05 -0.34 -0.11 0.00 -1.45 0.00 0.00 58.65 56.80 2jm5 h GLN 105 Cb 0.51 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.95 2jm5 h GLN 105 CO 0.03 0.94 -0.29 0.77 -0.95 0.00 0.00 178.83 179.34 2jm5 h SER 106 N 0.48 0.51 -0.32 1.46 0.02 -1.21 0.15 113.55 114.65 2jm5 h SER 106 Ca 0.03 -0.19 -0.09 0.00 -0.84 0.00 0.00 61.79 60.70 2jm5 h SER 106 Cb 1.00 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 2jm5 h SER 106 CO 0.09 0.79 -0.14 0.03 -1.14 0.00 0.00 176.83 176.46 2jm5 h ARG 107 N 0.44 0.65 -0.36 3.45 2.47 -0.69 -2.67 114.38 117.68 2jm5 h ARG 107 Ca 0.06 -0.28 -0.07 0.00 -1.26 0.00 0.00 59.98 58.42 2jm5 h ARG 107 Cb 0.73 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.02 2jm5 h ARG 107 CO 0.06 0.86 -0.07 0.28 0.56 0.00 0.00 179.97 181.66 2jm5 h VAL 108 N 0.42 1.27 -0.62 2.04 2.07 -0.84 -2.31 116.25 118.28 2jm5 h VAL 108 Ca 0.07 -1.12 0.12 0.00 0.82 0.00 0.00 66.70 66.60 2jm5 h VAL 108 Cb 0.66 1.27 -0.09 0.00 -1.52 0.00 0.00 31.29 31.60 2jm5 h VAL 108 CO 0.04 0.37 0.10 0.22 0.02 0.00 0.00 177.57 178.32 2jm5 h TYR 109 N 0.48 0.14 0.00 1.57 5.03 -0.67 -0.22 116.97 123.30 2jm5 h TYR 109 Ca 0.09 0.04 -0.07 0.00 2.58 0.00 0.00 58.73 61.38 2jm5 h TYR 109 Cb 0.56 0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.87 2jm5 h TYR 109 CO 0.05 -0.08 -0.32 -0.56 -1.32 0.00 0.00 178.16 175.93 2jm5 h GLN 110 N 0.22 0.00 0.12 1.82 3.07 -1.31 -1.65 115.11 117.37 2jm5 h GLN 110 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.07 2jm5 h GLN 110 Cb 0.52 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.07 2jm5 h GLN 110 CO -0.45 0.32 -0.11 -0.07 0.09 0.00 0.00 178.83 178.61 2jm5 h LEU 111 N 0.00 -0.28 -0.85 0.06 3.38 -0.47 -0.82 115.31 116.33 2jm5 h LEU 111 Ca -0.00 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 2jm5 h LEU 111 Cb 0.79 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 2jm5 h LEU 111 CO 0.04 -0.17 -0.27 0.24 0.09 0.00 0.00 178.44 178.37 2jm5 h MET 112 N -0.25 0.55 0.51 1.13 2.86 -1.29 -2.82 114.93 115.61 2jm5 h MET 112 Ca 0.00 -0.22 -0.02 0.00 -2.06 0.00 0.00 59.70 57.40 2jm5 h MET 112 Cb 0.23 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 2jm5 h MET 112 CO -0.02 0.77 -0.39 1.49 1.06 0.00 0.00 176.91 179.82 2jm5 h GLU 113 N 0.48 -0.83 0.00 1.72 4.81 -0.89 0.51 114.58 120.38 2jm5 h GLU 113 Ca 0.07 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2jm5 h GLU 113 Cb 0.72 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.29 2jm5 h GLU 113 CO 0.06 -0.55 0.00 0.00 -0.73 0.00 0.00 179.01 177.78 2jm5 n GLN 114 N -4.80 0.48 0.02 1.92 10.64 -0.35 -2.21 117.38 123.09 2jm5 n GLN 114 Ca -0.10 0.04 -0.01 0.00 -1.83 0.00 0.00 57.00 55.10 2jm5 n GLN 114 Cb 0.38 -1.50 -0.00 0.00 -0.86 0.00 0.00 30.24 28.25 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 -1.18 0.70 -0.05 2.61 2.03 -1.07 -4.88 116.55 114.71 2jm5 n ASP 115 Ca 0.13 0.09 -0.03 0.00 0.52 0.00 0.00 54.79 55.51 2jm5 n ASP 115 Cb 0.14 -0.22 -0.15 0.00 -0.72 0.00 0.00 41.12 40.17 2jm5 n ASP 115 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2jm5 n SER 116 N -3.33 0.17 -0.07 1.67 7.64 0.14 -4.17 113.62 115.67 2jm5 n SER 116 Ca -0.01 0.08 -0.13 0.00 1.01 0.00 0.00 58.87 59.81 2jm5 n SER 116 Cb 0.23 1.10 -0.02 0.00 -1.01 0.00 0.00 64.21 64.51 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 1.02 -0.00 1.43 3.20 0.15 0.39 116.97 123.16 2jm5 h TYR 117 Ca -0.33 -0.36 -0.00 0.00 3.14 0.00 0.00 58.73 61.18 2jm5 h TYR 117 Cb 1.80 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 39.87 2jm5 h TYR 117 CO 0.00 1.17 0.00 1.79 -1.64 0.00 0.00 178.16 179.48 2jm5 h THR 118 N 0.63 1.11 -0.39 1.81 1.35 -1.77 0.11 112.91 115.76 2jm5 h THR 118 Ca 0.02 -0.32 -0.04 0.00 -0.55 0.00 0.00 66.41 65.52 2jm5 h THR 118 Cb 1.12 1.32 -0.02 0.00 -1.73 0.00 0.00 68.15 68.84 2jm5 h THR 118 CO 0.12 0.08 0.08 0.03 -0.25 0.00 0.00 175.52 175.58 2jm5 h ARG 119 N -0.13 0.58 -0.76 4.72 3.08 -1.69 -1.45 114.38 118.73 2jm5 h ARG 119 Ca 0.00 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 2jm5 h ARG 119 Cb 0.13 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 2jm5 h ARG 119 CO -0.00 0.55 0.32 0.35 -1.07 0.00 0.00 179.97 180.12 2jm5 h PHE 120 N 0.57 1.13 0.00 3.04 3.57 0.23 0.20 116.94 125.69 2jm5 h PHE 120 Ca 0.13 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 2jm5 h PHE 120 Cb 0.24 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 38.63 2jm5 h PHE 120 CO 0.01 0.86 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.84 2jm5 h LEU 121 N 1.08 0.00 -2.70 0.59 3.38 0.30 0.10 115.31 118.07 2jm5 h LEU 121 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2jm5 h LEU 121 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2jm5 h LEU 121 CO -0.02 0.04 0.00 0.29 0.09 0.00 0.00 178.44 178.83 2jm5 n LYS 122 N -3.68 2.61 -2.29 1.13 4.76 -0.87 -4.75 118.16 115.08 2jm5 n LYS 122 Ca -0.03 -2.08 -0.36 0.00 -2.87 0.00 0.00 58.31 52.97 2jm5 n LYS 122 Cb 0.13 -1.33 -0.01 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 -1.02 6.03 0.48 4.39 1.04 0.67 -4.85 113.70 120.43 2jm5 s SER 123 Ca 0.27 2.22 0.23 0.00 0.48 0.00 0.00 55.95 59.15 2jm5 s SER 123 Cb 0.15 -2.59 1.22 0.00 0.10 0.00 0.00 66.02 64.90 2jm5 s SER 123 CO 0.19 -1.01 2.00 -0.78 0.98 0.00 0.00 173.24 174.63 2jm5 h ASP 124 N 1.71 0.00 -0.37 7.02 3.58 -1.89 0.15 116.42 126.63 2jm5 h ASP 124 Ca -0.50 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 56.87 2jm5 h ASP 124 Cb 1.25 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.29 2jm5 h ASP 124 CO 0.59 0.18 -0.10 -0.29 -2.88 0.00 0.00 179.24 176.74 2jm5 h ILE 125 N 0.00 1.28 -0.14 2.25 -0.00 -1.91 -0.29 117.51 118.70 2jm5 h ILE 125 Ca -0.00 -1.17 -0.18 0.00 -0.00 0.00 0.00 64.86 63.51 2jm5 h ILE 125 Cb 0.42 1.28 -0.00 0.00 -0.00 0.00 0.00 36.82 38.52 2jm5 h ILE 125 CO 0.02 0.39 -0.65 0.22 -0.00 0.00 0.00 178.15 178.13 2jm5 h TYR 126 N 0.51 0.68 0.00 2.19 3.20 -1.58 -2.44 116.97 119.53 2jm5 h TYR 126 Ca 0.09 -0.27 -0.01 0.00 3.14 0.00 0.00 58.73 61.68 2jm5 h TYR 126 Cb 0.61 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.76 2jm5 h TYR 126 CO 0.05 1.03 -0.06 -0.07 -1.64 0.00 0.00 178.16 177.47 2jm5 h LEU 127 N 0.38 0.00 -0.23 2.82 -0.00 -0.62 0.11 115.31 117.78 2jm5 h LEU 127 Ca -0.01 0.00 -0.21 0.00 -0.00 0.00 0.00 57.88 57.65 2jm5 h LEU 127 Cb 1.21 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.88 2jm5 h LEU 127 CO 0.12 0.06 -0.74 -0.78 -0.00 0.00 0.00 178.44 177.10 2jm5 h ASP 128 N 0.00 0.86 -0.50 -0.43 3.58 -0.58 0.30 116.42 119.65 2jm5 h ASP 128 Ca -0.00 -0.55 -0.07 0.00 0.42 0.00 0.00 57.03 56.83 2jm5 h ASP 128 Cb 0.38 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 2jm5 h ASP 128 CO 0.01 1.34 0.07 -0.07 -2.88 0.00 0.00 179.24 177.71 2jm5 h LEU 129 N 0.51 0.84 0.46 2.28 3.38 -0.84 -3.14 115.31 118.80 2jm5 h LEU 129 Ca -0.04 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 2jm5 h LEU 129 Cb 1.35 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2jm5 h LEU 129 CO 0.15 0.86 -0.22 0.24 0.09 0.00 0.00 178.44 179.56 2jm5 h MET 130 N 0.84 -0.59 -5.64 1.13 2.86 -0.73 -3.34 114.93 109.45 2jm5 h MET 130 Ca 0.17 0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.79 2jm5 h MET 130 Cb 0.40 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.20 2jm5 h MET 130 CO 0.01 -0.40 -0.88 -1.91 1.06 0.00 0.00 176.91 174.79 2jm5 n GLU 131 N -4.00 -2.32 0.09 1.72 4.07 0.10 -4.77 120.64 115.53 2jm5 n GLU 131 Ca -0.08 2.00 -0.13 0.00 -0.06 0.00 0.00 57.16 58.89 2jm5 n GLU 131 Cb 0.24 -4.13 -0.06 0.00 -0.06 0.00 0.00 31.44 27.43 2jm5 n GLU 131 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 2jm5 h GLY 132 N 2.67 -0.69 -5.77 8.31 0.00 -1.93 -3.48 103.07 102.18 2jm5 h GLY 132 Ca -0.10 0.44 -0.08 0.00 0.00 0.00 0.00 47.33 47.60 2jm5 h GLY 132 CO 0.13 -0.25 -0.93 0.54 0.00 0.00 0.00 176.54 176.04 2jm5 n ARG 133 N -5.44 -2.11 0.00 4.80 1.74 -1.26 -5.26 116.66 109.13 2jm5 n ARG 133 Ca -0.06 1.86 0.00 0.00 -0.77 0.00 0.00 57.85 58.87 2jm5 n ARG 133 Cb 0.35 -3.68 0.00 0.00 -1.02 0.00 0.00 32.46 28.12 2jm5 n ARG 133 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81