#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 2.27 -0.13 1.43 -2.45 -1.26 -5.06 119.30 114.09 2jm5 s MET 2 Ca 0.00 -1.37 -0.13 0.00 -1.25 0.00 0.00 55.69 52.94 2jm5 s MET 2 Cb 0.00 -3.10 0.04 0.00 1.25 0.00 0.00 34.83 33.02 2jm5 s MET 2 CO 0.00 -0.65 0.37 0.54 1.05 0.00 0.00 175.02 176.33 2jm5 s VAL 3 N 1.16 0.00 0.50 10.11 0.11 -1.26 -4.94 120.40 126.09 2jm5 s VAL 3 Ca -0.05 -0.02 -0.03 0.00 -2.93 0.00 0.00 61.98 58.95 2jm5 s VAL 3 Cb -0.20 -0.53 -0.01 0.00 -1.53 0.00 0.00 36.38 34.11 2jm5 s VAL 3 CO -0.03 -0.01 0.77 -0.94 -3.33 0.00 0.00 175.10 171.56 2jm5 s SER 4 N 0.12 5.91 0.58 3.54 1.04 -1.26 -4.89 113.70 118.74 2jm5 s SER 4 Ca -0.01 0.63 0.32 0.00 0.48 0.00 0.00 55.95 57.37 2jm5 s SER 4 Cb -0.03 -1.83 1.81 0.00 0.10 0.00 0.00 66.02 66.07 2jm5 s SER 4 CO 0.01 -0.76 2.22 1.55 0.98 0.00 0.00 173.24 177.23 2jm5 h PRO 5 N 0.17 0.00 -0.04 4.02 0.13 -1.79 0.33 132.00 134.83 2jm5 h PRO 5 Ca -0.46 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 2jm5 h PRO 5 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2jm5 h PRO 5 CO 0.60 0.04 -0.07 1.49 -0.23 0.00 0.00 178.00 179.83 2jm5 h GLU 6 N 0.00 0.11 -0.23 0.86 4.22 -1.93 0.91 114.58 118.51 2jm5 h GLU 6 Ca -0.00 -0.07 -0.12 0.00 0.08 0.00 0.00 59.36 59.25 2jm5 h GLU 6 Cb 0.12 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2jm5 h GLU 6 CO 0.00 0.64 -0.37 1.49 -2.18 0.00 0.00 179.01 178.59 2jm5 h GLU 7 N -0.41 0.52 -0.53 1.92 4.57 -1.78 -2.78 114.58 116.09 2jm5 h GLU 7 Ca 0.00 -0.25 -0.10 0.00 -1.18 0.00 0.00 59.36 57.84 2jm5 h GLU 7 Cb 0.63 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.20 2jm5 h GLU 7 CO 0.01 0.82 -0.04 0.00 -1.18 0.00 0.00 179.01 178.62 2jm5 h ALA 8 N 1.16 0.72 -0.02 2.92 0.00 -0.30 -2.02 119.26 121.71 2jm5 h ALA 8 Ca 0.04 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2jm5 h ALA 8 Cb 0.85 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 2jm5 h ALA 8 CO 0.07 0.57 0.00 -0.39 0.00 0.00 0.00 179.25 179.51 2jm5 h VAL 9 N 0.83 1.02 -0.73 0.00 -1.51 -0.71 -0.45 116.25 114.70 2jm5 h VAL 9 Ca 0.14 -0.06 0.01 0.00 -1.23 0.00 0.00 66.70 65.56 2jm5 h VAL 9 Cb 0.59 1.00 -0.04 0.00 -2.13 0.00 0.00 31.29 30.71 2jm5 h VAL 9 CO 0.04 0.02 0.48 0.11 -1.23 0.00 0.00 177.57 176.99 2jm5 h LYS 10 N 0.03 0.95 0.00 5.19 6.56 -1.10 -1.80 116.57 126.40 2jm5 h LYS 10 Ca 0.01 -0.06 -0.01 0.00 -1.06 0.00 0.00 60.65 59.53 2jm5 h LYS 10 Cb 0.02 -0.21 -0.00 0.00 -0.57 0.00 0.00 32.23 31.47 2jm5 h LYS 10 CO 0.00 0.63 -0.04 -1.49 -2.06 0.00 0.00 179.45 176.49 2jm5 h TRP 11 N 0.97 0.00 -0.00 -1.35 6.55 -0.65 0.33 115.95 121.80 2jm5 h TRP 11 Ca 0.27 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.11 2jm5 h TRP 11 Cb -0.10 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.20 2jm5 h TRP 11 CO -0.02 0.04 -0.05 0.41 -1.05 0.00 0.00 178.44 177.76 2jm5 n GLY 12 N -1.41 -1.41 0.17 1.49 0.00 -0.71 -3.24 105.19 100.07 2jm5 n GLY 12 Ca -0.03 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 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 0.03 0.60 -2.44 1.61 5.08 -0.55 -3.46 114.58 115.44 2jm5 h GLU 13 Ca 0.00 -0.85 -0.07 0.00 -1.00 0.00 0.00 59.36 57.44 2jm5 h GLU 13 Cb 0.45 0.29 -0.25 0.00 0.50 0.00 0.00 28.75 29.75 2jm5 h GLU 13 CO 0.00 1.39 -0.19 -1.12 -1.00 0.00 0.00 179.01 178.09 2jm5 s SER 14 N -7.45 -0.65 0.46 1.42 0.01 -1.20 -5.03 113.70 101.26 2jm5 s SER 14 Ca -0.10 1.09 0.14 0.00 1.31 0.00 0.00 55.95 58.40 2jm5 s SER 14 Cb 0.05 0.97 1.09 0.00 0.21 0.00 0.00 66.02 68.34 2jm5 s SER 14 CO 0.93 -0.21 2.05 0.15 0.41 0.00 0.00 173.24 176.57 2jm5 h PHE 15 N 7.02 0.29 -0.81 2.43 3.57 -1.90 -2.03 116.94 125.51 2jm5 h PHE 15 Ca -0.34 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.12 2jm5 h PHE 15 Cb 1.20 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.81 2jm5 h PHE 15 CO 0.19 0.16 0.35 0.22 -2.23 0.00 0.00 178.31 177.00 2jm5 h ASP 16 N 0.29 1.10 1.23 0.41 3.58 -1.96 0.11 116.42 121.18 2jm5 h ASP 16 Ca 0.17 -0.16 -0.13 0.00 0.42 0.00 0.00 57.03 57.33 2jm5 h ASP 16 Cb 0.30 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 2jm5 h ASP 16 CO -0.04 0.95 -0.61 0.07 -2.88 0.00 0.00 179.24 176.74 2jm5 h LYS 17 N 1.17 0.00 -0.02 0.28 2.10 -1.71 0.51 116.57 118.89 2jm5 h LYS 17 Ca 0.27 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.92 2jm5 h LYS 17 Cb 0.18 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.51 2jm5 h LYS 17 CO -0.03 0.61 0.01 1.25 -2.00 0.00 0.00 179.45 179.29 2jm5 h LEU 18 N 0.00 0.03 -0.50 7.07 5.85 -1.16 -2.55 115.31 124.05 2jm5 h LEU 18 Ca -0.01 -0.04 -0.14 0.00 0.84 0.00 0.00 57.88 58.54 2jm5 h LEU 18 Cb 1.38 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.39 2jm5 h LEU 18 CO 0.08 0.06 -0.66 0.25 -0.34 0.00 0.00 178.44 177.82 2jm5 h LEU 19 N -0.01 0.00 0.00 2.25 5.85 -0.73 -2.22 115.31 120.45 2jm5 h LEU 19 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2jm5 h LEU 19 Cb 0.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2jm5 h LEU 19 CO -0.00 0.66 -0.17 -1.54 -0.34 0.00 0.00 178.44 177.05 2jm5 n SER 20 N -3.56 0.62 -4.68 1.25 3.41 0.15 -4.25 113.62 106.56 2jm5 n SER 20 Ca -0.00 0.41 -0.41 0.00 -0.26 0.00 0.00 58.87 58.61 2jm5 n SER 20 Cb 0.70 -0.47 -0.04 0.00 -0.26 0.00 0.00 64.21 64.13 2jm5 n SER 20 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2jm5 s HIS 21 N -3.09 3.47 0.20 7.33 5.65 -0.91 -4.94 115.29 122.99 2jm5 s HIS 21 Ca 0.10 1.24 -0.12 0.00 0.25 0.00 0.00 55.06 56.54 2jm5 s HIS 21 Cb 0.14 -2.95 0.24 0.00 -1.18 0.00 0.00 32.58 28.83 2jm5 s HIS 21 CO 0.62 -0.14 1.70 0.00 -0.65 0.00 0.00 174.74 176.26 2jm5 h ARG 22 N 7.18 0.19 -0.06 2.88 3.08 -1.85 0.27 114.38 126.08 2jm5 h ARG 22 Ca -0.33 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.67 2jm5 h ARG 22 Cb 1.15 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 2jm5 h ARG 22 CO 0.80 0.13 -0.15 -0.44 -1.07 0.00 0.00 179.97 179.24 2jm5 h ASP 23 N 0.20 0.09 0.13 7.04 5.19 -1.92 -0.88 116.42 126.27 2jm5 h ASP 23 Ca 0.28 -0.02 -0.25 0.00 -0.62 0.00 0.00 57.03 56.42 2jm5 h ASP 23 Cb 0.41 -0.02 0.01 0.00 0.18 0.00 0.00 39.33 39.90 2jm5 h ASP 23 CO -0.40 0.25 -1.23 1.23 -3.12 0.00 0.00 179.24 175.97 2jm5 h GLY 24 N 0.60 0.32 0.33 2.75 0.00 -1.03 0.55 103.07 106.59 2jm5 h GLY 24 Ca 0.02 -0.82 0.11 0.00 0.00 0.00 0.00 47.33 46.64 2jm5 h GLY 24 CO 0.02 0.72 0.28 -2.00 0.00 0.00 0.00 176.54 175.56 2jm5 h LEU 25 N -0.29 0.29 -0.84 3.11 6.46 0.00 0.69 115.31 124.74 2jm5 h LEU 25 Ca -0.25 0.08 -0.08 0.00 -0.12 0.00 0.00 57.88 57.52 2jm5 h LEU 25 Cb 1.75 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 41.71 2jm5 h LEU 25 CO 0.10 0.15 0.02 -0.08 -0.62 0.00 0.00 178.44 178.01 2jm5 h GLU 26 N 0.46 0.89 -0.42 1.25 4.81 -1.14 0.11 114.58 120.55 2jm5 h GLU 26 Ca 0.35 -0.25 -0.11 0.00 -0.13 0.00 0.00 59.36 59.23 2jm5 h GLU 26 Cb 0.46 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 2jm5 h GLU 26 CO -0.33 0.87 -0.17 0.00 -0.73 0.00 0.00 179.01 178.65 2jm5 h ALA 27 N 1.19 0.91 -0.31 2.92 0.00 0.47 -0.42 119.26 124.01 2jm5 h ALA 27 Ca 0.16 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 2jm5 h ALA 27 Cb 0.47 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2jm5 h ALA 27 CO 0.02 0.62 -0.42 0.35 0.00 0.00 0.00 179.25 179.82 2jm5 h PHE 28 N 0.71 0.95 -0.92 0.00 3.57 -0.57 -2.55 116.94 118.12 2jm5 h PHE 28 Ca 0.11 -0.29 -0.01 0.00 3.53 0.00 0.00 57.97 61.31 2jm5 h PHE 28 Cb 0.68 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.18 2jm5 h PHE 28 CO 0.04 1.07 0.55 1.15 -2.23 0.00 0.00 178.31 178.88 2jm5 h THR 29 N 0.64 1.25 -0.81 4.41 2.02 -0.26 0.18 112.91 120.34 2jm5 h THR 29 Ca 0.05 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 2jm5 h THR 29 Cb 0.99 -0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 2jm5 h THR 29 CO 0.09 0.27 0.46 0.03 0.37 0.00 0.00 175.52 176.74 2jm5 h ARG 30 N 1.27 1.12 -0.49 6.66 3.08 -0.78 0.14 114.38 125.38 2jm5 h ARG 30 Ca 0.33 -0.12 -0.05 0.00 0.07 0.00 0.00 59.98 60.21 2jm5 h ARG 30 Cb -0.04 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.76 2jm5 h ARG 30 CO -0.06 0.81 0.12 0.35 -1.07 0.00 0.00 179.97 180.12 2jm5 h PHE 31 N 1.12 0.83 -0.45 3.04 3.04 -0.95 -3.12 116.94 120.45 2jm5 h PHE 31 Ca 0.29 -0.10 -0.05 0.00 3.98 0.00 0.00 57.97 62.09 2jm5 h PHE 31 Cb 0.00 -0.23 -0.02 0.00 2.56 0.00 0.00 35.95 38.26 2jm5 h PHE 31 CO 0.00 0.74 0.07 -0.07 -2.02 0.00 0.00 178.31 177.03 2jm5 h LEU 32 N 0.67 0.71 -0.35 0.59 4.07 -0.19 -3.26 115.31 117.55 2jm5 h LEU 32 Ca 0.15 -0.26 0.06 0.00 0.08 0.00 0.00 57.88 57.91 2jm5 h LEU 32 Cb 0.33 -0.19 -0.06 0.00 1.08 0.00 0.00 40.66 41.82 2jm5 h LEU 32 CO 0.00 0.80 0.01 0.11 -1.08 0.00 0.00 178.44 178.27 2jm5 h LYS 33 N 0.61 0.10 0.00 1.13 1.57 -0.67 0.60 116.57 119.91 2jm5 h LYS 33 Ca 0.14 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2jm5 h LYS 33 Cb 0.39 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2jm5 h LYS 33 CO 0.01 0.07 0.00 0.00 -0.57 0.00 0.00 179.45 178.96 2jm5 h THR 34 N 0.11 0.00 -0.14 -0.16 1.03 -1.59 -0.48 112.91 111.67 2jm5 h THR 34 Ca 0.17 -0.30 0.00 0.00 -0.01 0.00 0.00 66.41 66.27 2jm5 h THR 34 Cb 0.23 1.24 0.00 0.00 -1.07 0.00 0.00 68.15 68.56 2jm5 h THR 34 CO -0.28 0.00 0.00 -1.84 -0.01 0.00 0.00 175.52 173.39 2jm5 n GLU 35 N -2.95 2.42 -2.31 0.00 0.28 -0.97 -4.97 120.64 112.15 2jm5 n GLU 35 Ca -0.00 -2.35 -0.18 0.00 -0.16 0.00 0.00 57.16 54.47 2jm5 n GLU 35 Cb 0.21 -1.46 -0.02 0.00 1.43 0.00 0.00 31.44 31.60 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 -0.61 -1.01 -0.88 -1.84 3.72 -0.19 -4.85 117.46 111.80 2jm5 n PHE 36 Ca 0.14 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.62 2jm5 n PHE 36 Cb 0.60 -3.55 0.29 0.00 -0.94 0.00 0.00 39.48 35.88 2jm5 n PHE 36 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2jm5 n SER 37 N -1.84 4.27 0.21 4.37 3.41 0.08 -4.45 113.62 119.67 2jm5 n SER 37 Ca -0.21 -2.88 0.15 0.00 -0.26 0.00 0.00 58.87 55.66 2jm5 n SER 37 Cb 0.66 -0.55 0.73 0.00 -0.26 0.00 0.00 64.21 64.78 2jm5 n SER 37 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2jm5 h GLU 38 N 2.45 0.00 -0.83 4.33 4.81 -1.87 -2.58 114.58 120.89 2jm5 h GLU 38 Ca 0.00 0.00 0.21 0.00 -0.13 0.00 0.00 59.36 59.44 2jm5 h GLU 38 Cb 1.50 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.74 2jm5 h GLU 38 CO 0.26 0.00 0.11 0.93 -0.73 0.00 0.00 179.01 179.58 2jm5 h GLU 39 N 0.00 0.14 -0.32 1.92 4.39 -1.92 0.01 114.58 118.80 2jm5 h GLU 39 Ca 0.00 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.59 2jm5 h GLU 39 Cb 0.12 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2jm5 h GLU 39 CO 0.00 0.09 -0.20 -0.91 -1.16 0.00 0.00 179.01 176.84 2jm5 h ASN 40 N 0.14 0.73 -0.39 1.42 2.35 -1.84 0.32 115.58 118.30 2jm5 h ASN 40 Ca 0.49 -0.43 -0.14 0.00 -0.55 0.00 0.00 56.30 55.67 2jm5 h ASN 40 Cb 0.93 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.09 2jm5 h ASN 40 CO -0.68 1.00 -0.30 0.40 -1.65 0.00 0.00 177.43 176.19 2jm5 h ILE 41 N 0.46 1.27 0.00 2.81 2.04 -1.59 -2.48 117.51 120.03 2jm5 h ILE 41 Ca 0.07 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 64.46 2jm5 h ILE 41 Cb 0.74 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 2jm5 h ILE 41 CO 0.06 0.50 0.00 -0.62 0.00 0.00 0.00 178.15 178.08 2jm5 n GLU 42 N -4.08 0.22 0.42 2.37 1.02 -0.07 -0.48 120.64 120.04 2jm5 n GLU 42 Ca -0.01 0.29 -0.16 0.00 -0.02 0.00 0.00 57.16 57.26 2jm5 n GLU 42 Cb 0.50 -1.81 -0.08 0.00 -0.02 0.00 0.00 31.44 30.03 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 -0.99 0.00 -0.32 3.57 0.10 -0.35 116.94 118.95 2jm5 h PHE 43 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2jm5 h PHE 43 Cb 0.57 0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.64 2jm5 h PHE 43 CO 0.00 -0.61 -0.28 -2.67 -2.23 0.00 0.00 178.31 172.52 2jm5 n TRP 44 N -5.03 0.40 -0.20 0.41 4.27 -1.12 -2.22 117.44 113.96 2jm5 n TRP 44 Ca -0.13 0.12 -0.10 0.00 -3.89 0.00 0.00 57.50 53.50 2jm5 n TRP 44 Cb 0.42 -0.61 0.02 0.00 -1.36 0.00 0.00 31.31 29.78 2jm5 n TRP 44 CO 0.00 0.00 0.00 0.82 -2.29 0.00 0.00 177.69 176.22 2jm5 h ILE 45 N 0.00 1.27 -0.63 -1.67 2.04 -0.79 -0.79 117.51 116.94 2jm5 h ILE 45 Ca 0.00 -1.22 -0.09 0.00 1.00 0.00 0.00 64.86 64.55 2jm5 h ILE 45 Cb 0.63 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 2jm5 h ILE 45 CO 0.00 0.44 0.04 0.00 0.00 0.00 0.00 178.15 178.62 2jm5 h ALA 46 N 0.96 0.84 0.33 1.87 0.00 -0.90 -0.40 119.26 121.96 2jm5 h ALA 46 Ca 0.16 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2jm5 h ALA 46 Cb 0.62 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2jm5 h ALA 46 CO 0.04 0.66 -0.41 0.00 0.00 0.00 0.00 179.25 179.54 2jm5 h GLU 48 N -0.79 0.00 -0.71 0.00 5.08 -1.14 0.20 114.58 117.23 2jm5 h GLU 48 Ca -0.02 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 2jm5 h GLU 48 Cb 0.73 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 2jm5 h GLU 48 CO -0.11 0.03 0.18 0.22 -1.00 0.00 0.00 179.01 178.34 2jm5 h ASP 49 N 0.00 1.07 -0.36 1.42 3.58 -0.69 -1.49 116.42 119.94 2jm5 h ASP 49 Ca -0.00 -0.22 -0.15 0.00 0.42 0.00 0.00 57.03 57.07 2jm5 h ASP 49 Cb 0.86 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.62 2jm5 h ASP 49 CO 0.00 1.01 -0.38 0.15 -2.88 0.00 0.00 179.24 177.15 2jm5 h PHE 50 N 1.07 1.07 -0.12 0.28 3.57 -0.18 -2.97 116.94 119.66 2jm5 h PHE 50 Ca 0.22 -0.33 0.04 0.00 3.53 0.00 0.00 57.97 61.43 2jm5 h PHE 50 Cb 0.36 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 2jm5 h PHE 50 CO 0.03 1.14 0.13 -0.22 -2.23 0.00 0.00 178.31 177.17 2jm5 h LYS 51 N 0.70 0.00 0.00 1.11 3.64 -0.56 -1.79 116.57 119.67 2jm5 h LYS 51 Ca 0.05 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 2jm5 h LYS 51 Cb 0.97 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.79 2jm5 h LYS 51 CO 0.09 0.00 -0.07 0.87 -2.27 0.00 0.00 179.45 178.07 2jm5 h LYS 52 N 0.00 0.00 -6.57 1.90 1.57 -1.11 -3.42 116.57 108.94 2jm5 h LYS 52 Ca 0.06 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.32 2jm5 h LYS 52 Cb 0.33 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 2jm5 h LYS 52 CO -0.00 0.07 -0.06 -1.12 -0.57 0.00 0.00 179.45 177.78 2jm5 s SER 53 N -6.00 6.56 0.00 0.86 0.01 -0.67 -4.99 113.70 109.47 2jm5 s SER 53 Ca -0.03 0.93 0.00 0.00 1.31 0.00 0.00 55.95 58.16 2jm5 s SER 53 Cb 0.13 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 64.13 2jm5 s SER 53 CO 0.55 -0.19 0.31 2.29 0.41 0.00 0.00 173.24 176.61 2jm5 n LYS 54 N -0.67 -0.24 -2.53 12.44 -0.00 -1.26 -4.96 118.16 120.93 2jm5 n LYS 54 Ca 0.00 -0.31 -0.43 0.00 -0.00 0.00 0.00 58.31 57.57 2jm5 n LYS 54 Cb 0.53 -0.80 -0.02 0.00 -0.00 0.00 0.00 35.03 34.74 2jm5 n LYS 54 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2jm5 s GLY 55 N -0.05 1.54 0.51 2.58 0.00 -1.26 -4.91 107.32 105.73 2jm5 s GLY 55 Ca 0.00 0.12 0.18 0.00 0.00 0.00 0.00 44.72 45.02 2jm5 s GLY 55 CO 0.00 2.40 2.09 -2.55 0.00 0.00 0.00 173.10 175.03 2jm5 h PRO 56 N 8.39 0.06 -0.33 2.90 0.11 -1.97 -0.53 132.00 140.63 2jm5 h PRO 56 Ca -0.23 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.76 2jm5 h PRO 56 Cb 1.08 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2jm5 h PRO 56 CO 1.01 0.04 -0.25 1.96 -0.21 0.00 0.00 178.00 180.55 2jm5 h GLN 57 N 0.07 0.75 -0.48 1.05 7.50 -1.99 -2.34 115.11 119.67 2jm5 h GLN 57 Ca 0.11 -0.37 -0.02 0.00 0.50 0.00 0.00 58.65 58.86 2jm5 h GLN 57 Cb 0.34 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.84 2jm5 h GLN 57 CO -0.01 0.99 0.20 0.37 -1.50 0.00 0.00 178.83 178.88 2jm5 h GLN 58 N 0.52 0.68 -0.02 1.46 5.75 -1.56 -2.61 115.11 119.33 2jm5 h GLN 58 Ca 0.06 -0.09 0.01 0.00 -0.15 0.00 0.00 58.65 58.48 2jm5 h GLN 58 Cb 0.82 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.23 2jm5 h GLN 58 CO 0.07 0.56 -0.05 0.82 -2.65 0.00 0.00 178.83 177.57 2jm5 h ILE 59 N 0.68 0.87 -0.65 2.39 1.08 -0.73 -1.35 117.51 119.79 2jm5 h ILE 59 Ca 0.17 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.71 2jm5 h ILE 59 Cb 0.12 0.87 -0.06 0.00 -3.07 0.00 0.00 36.82 34.67 2jm5 h ILE 59 CO -0.02 0.00 0.32 0.45 -0.69 0.00 0.00 178.15 178.22 2jm5 h HIS 60 N -0.08 0.58 0.37 1.37 3.86 -1.05 0.80 115.15 121.01 2jm5 h HIS 60 Ca 0.03 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.25 2jm5 h HIS 60 Cb 0.11 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.42 2jm5 h HIS 60 CO -0.13 0.23 -0.18 -0.07 0.86 0.00 0.00 177.93 178.64 2jm5 h LEU 61 N 0.58 -0.42 -0.17 2.43 3.38 -1.33 -2.12 115.31 117.66 2jm5 h LEU 61 Ca 0.31 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.34 2jm5 h LEU 61 Cb 0.29 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 2jm5 h LEU 61 CO -0.24 -0.28 -0.09 0.11 0.09 0.00 0.00 178.44 178.03 2jm5 h LYS 62 N -0.53 -0.08 0.09 1.13 6.56 -1.16 -0.43 116.57 122.15 2jm5 h LYS 62 Ca -0.05 0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.54 2jm5 h LYS 62 Cb 0.38 0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 32.06 2jm5 h LYS 62 CO 0.08 -0.06 -0.05 0.00 -2.06 0.00 0.00 179.45 177.37 2jm5 h ALA 63 N 1.06 -0.13 0.00 3.86 0.00 -0.92 -0.19 119.26 122.94 2jm5 h ALA 63 Ca 0.10 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2jm5 h ALA 63 Cb 0.23 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2jm5 h ALA 63 CO -0.22 -0.57 -0.30 -0.22 0.00 0.00 0.00 179.25 177.94 2jm5 h LYS 64 N -0.13 0.00 0.09 0.00 3.64 -1.27 0.38 116.57 119.27 2jm5 h LYS 64 Ca -0.01 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2jm5 h LYS 64 Cb 0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2jm5 h LYS 64 CO 0.01 0.30 -0.04 0.00 -2.27 0.00 0.00 179.45 177.45 2jm5 h ALA 65 N 1.70 -0.12 -0.82 5.00 0.00 -0.63 -0.52 119.26 123.87 2jm5 h ALA 65 Ca -0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2jm5 h ALA 65 Cb 0.74 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 2jm5 h ALA 65 CO 0.04 -0.43 0.37 0.82 0.00 0.00 0.00 179.25 180.05 2jm5 h ILE 66 N -0.38 1.26 0.31 0.00 2.04 -0.46 -1.04 117.51 119.23 2jm5 h ILE 66 Ca -0.01 -0.76 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 2jm5 h ILE 66 Cb 0.32 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 2jm5 h ILE 66 CO 0.02 0.32 -0.41 0.22 0.00 0.00 0.00 178.15 178.30 2jm5 h TYR 67 N 1.18 -1.16 0.00 1.37 3.20 -0.20 0.75 116.97 122.11 2jm5 h TYR 67 Ca 0.28 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.17 2jm5 h TYR 67 Cb 0.15 0.46 0.00 0.00 1.54 0.00 0.00 36.73 38.89 2jm5 h TYR 67 CO 0.02 -0.52 0.00 0.39 -1.64 0.00 0.00 178.16 176.41 2jm5 n GLU 68 N -4.86 0.16 -0.03 1.82 1.02 -0.21 -0.15 120.64 118.39 2jm5 n GLU 68 Ca -0.09 0.12 0.02 0.00 -0.02 0.00 0.00 57.16 57.19 2jm5 n GLU 68 Cb 0.36 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.14 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 -1.38 0.66 0.11 3.49 4.81 -0.41 -4.35 118.16 121.09 2jm5 n LYS 69 Ca 0.08 -0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 2jm5 n LYS 69 Cb 0.20 -1.59 0.00 0.00 0.02 0.00 0.00 35.03 33.66 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 -2.56 -1.76 0.27 5.64 3.72 0.23 -2.49 117.46 120.50 2jm5 n PHE 70 Ca -0.15 0.31 0.13 0.00 -0.05 0.00 0.00 57.45 57.70 2jm5 n PHE 70 Cb 0.82 0.42 0.76 0.00 -0.94 0.00 0.00 39.48 40.53 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 0.55 -4.03 4.37 1.08 -0.67 -2.67 117.51 116.14 2jm5 h ILE 71 Ca 0.00 -0.45 -0.50 0.00 -0.39 0.00 0.00 64.86 63.53 2jm5 h ILE 71 Cb 0.00 1.29 0.05 0.00 -3.07 0.00 0.00 36.82 35.09 2jm5 h ILE 71 CO 0.00 0.10 0.44 -1.58 -0.69 0.00 0.00 178.15 176.42 2jm5 s GLN 72 N -4.26 3.71 0.08 2.37 2.00 0.78 -4.86 119.66 119.48 2jm5 s GLN 72 Ca -0.03 1.62 -0.16 0.00 -2.00 0.00 0.00 55.36 54.79 2jm5 s GLN 72 Cb 0.13 -2.26 -0.14 0.00 0.80 0.00 0.00 33.01 31.55 2jm5 s GLN 72 CO 0.58 -0.56 1.31 1.79 -0.50 0.00 0.00 175.29 177.91 2jm5 h THR 73 N 1.67 1.32 -0.43 -0.34 1.35 -1.91 -2.88 112.91 111.69 2jm5 h THR 73 Ca -0.49 -1.73 -0.06 0.00 -0.55 0.00 0.00 66.41 63.58 2jm5 h THR 73 Cb 1.24 1.93 -0.04 0.00 -1.73 0.00 0.00 68.15 69.55 2jm5 h THR 73 CO 0.59 0.54 0.08 -0.90 -0.25 0.00 0.00 175.52 175.58 2jm5 n ASP 74 N -4.18 4.04 -4.76 5.36 5.75 -1.26 -4.82 116.55 116.68 2jm5 n ASP 74 Ca -0.06 -2.70 -0.34 0.00 -0.01 0.00 0.00 54.79 51.68 2jm5 n ASP 74 Cb 0.59 -0.64 0.05 0.00 -1.03 0.00 0.00 41.12 40.08 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 -2.18 2.45 0.43 2.12 0.00 -1.09 -4.92 121.76 118.58 2jm5 s ALA 75 Ca 0.37 0.65 0.19 0.00 0.00 0.00 0.00 51.96 53.17 2jm5 s ALA 75 Cb 0.28 -3.35 1.16 0.00 0.00 0.00 0.00 23.12 21.22 2jm5 s ALA 75 CO 0.10 -1.29 2.01 -1.00 0.00 0.00 0.00 175.76 175.58 2jm5 h PRO 76 N 0.18 0.00 0.00 0.00 0.13 -1.76 -3.26 132.00 127.29 2jm5 h PRO 76 Ca -0.47 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.58 2jm5 h PRO 76 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 2jm5 h PRO 76 CO 0.54 0.17 -0.93 1.63 -0.23 0.00 0.00 178.00 179.18 2jm5 n LYS 77 N -4.04 0.50 -1.88 0.86 4.76 -1.04 -5.09 118.16 112.24 2jm5 n LYS 77 Ca -0.02 0.42 0.00 0.00 -2.87 0.00 0.00 58.31 55.84 2jm5 n LYS 77 Cb 0.25 -1.61 0.00 0.00 -1.84 0.00 0.00 35.03 31.83 2jm5 n LYS 77 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2jm5 n GLU 78 N -4.52 -3.39 -4.01 1.97 0.00 -1.23 -5.02 120.64 104.45 2jm5 n GLU 78 Ca -0.17 2.63 -0.33 0.00 0.00 0.00 0.00 57.16 59.30 2jm5 n GLU 78 Cb 0.45 -3.25 -0.06 0.00 0.00 0.00 0.00 31.44 28.58 2jm5 n GLU 78 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2jm5 s VAL 79 N -0.39 5.04 -0.06 6.31 1.01 -1.01 -4.96 120.40 126.34 2jm5 s VAL 79 Ca 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 61.98 61.67 2jm5 s VAL 79 Cb 0.00 -3.33 0.05 0.00 0.00 0.00 0.00 36.38 33.10 2jm5 s VAL 79 CO 0.00 0.33 1.89 0.59 0.00 0.00 0.00 175.10 177.91 2jm5 n ASN 80 N 1.06 5.26 -4.79 3.32 4.13 -1.26 -4.88 115.26 118.09 2jm5 n ASN 80 Ca -0.12 -2.50 -0.36 0.00 1.68 0.00 0.00 54.58 53.28 2jm5 n ASN 80 Cb 0.53 -1.04 -0.07 0.00 -1.54 0.00 0.00 39.78 37.66 2jm5 n ASN 80 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2jm5 s LEU 81 N -0.37 4.26 0.05 3.41 2.96 -1.26 -4.96 118.68 122.76 2jm5 s LEU 81 Ca 0.06 1.78 -0.37 0.00 -0.22 0.00 0.00 54.13 55.39 2jm5 s LEU 81 Cb 0.05 -4.10 -0.16 0.00 0.50 0.00 0.00 46.19 42.48 2jm5 s LEU 81 CO 0.00 -0.12 1.44 -0.67 -1.32 0.00 0.00 176.35 175.68 2jm5 n ASP 82 N 0.32 2.03 -0.21 3.68 2.03 -1.26 -4.82 116.55 118.32 2jm5 n ASP 82 Ca 0.03 1.10 0.13 0.00 0.52 0.00 0.00 54.79 56.57 2jm5 n ASP 82 Cb 0.51 -1.23 0.43 0.00 -0.72 0.00 0.00 41.12 40.11 2jm5 n ASP 82 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 2jm5 h PHE 83 N 5.24 0.66 0.04 -0.67 -0.00 -1.98 -0.09 116.94 120.15 2jm5 h PHE 83 Ca -0.47 0.02 -0.26 0.00 -0.00 0.00 0.00 57.97 57.26 2jm5 h PHE 83 Cb 1.32 -0.21 0.01 0.00 -0.00 0.00 0.00 35.95 37.07 2jm5 h PHE 83 CO 0.63 0.26 -1.07 1.25 -0.00 0.00 0.00 178.31 179.38 2jm5 h HIS 84 N 0.57 0.78 -0.13 6.09 6.17 -1.99 -0.80 115.15 125.85 2jm5 h HIS 84 Ca 0.39 -0.46 -0.01 0.00 0.71 0.00 0.00 60.37 61.01 2jm5 h HIS 84 Cb 0.72 -0.08 -0.01 0.00 2.52 0.00 0.00 27.41 30.57 2jm5 h HIS 84 CO -0.00 1.30 0.04 1.15 0.71 0.00 0.00 177.93 181.13 2jm5 h THR 85 N 0.26 1.18 -1.01 6.26 2.02 -1.72 -1.94 112.91 117.96 2jm5 h THR 85 Ca -0.12 -0.55 0.02 0.00 0.77 0.00 0.00 66.41 66.54 2jm5 h THR 85 Cb 1.73 1.30 -0.05 0.00 -1.74 0.00 0.00 68.15 69.38 2jm5 h THR 85 CO 0.19 0.16 0.66 0.11 0.37 0.00 0.00 175.52 177.02 2jm5 h LYS 86 N 0.03 1.28 -0.11 6.66 1.57 -1.03 -1.86 116.57 123.11 2jm5 h LYS 86 Ca 0.04 -0.08 0.04 0.00 -1.87 0.00 0.00 60.65 58.79 2jm5 h LYS 86 Cb 0.22 -0.29 -0.06 0.00 0.08 0.00 0.00 32.23 32.18 2jm5 h LYS 86 CO -0.00 0.85 -0.27 1.49 -0.57 0.00 0.00 179.45 180.95 2jm5 h GLU 87 N 1.32 -0.34 -0.78 3.15 4.81 -0.89 0.23 114.58 122.08 2jm5 h GLU 87 Ca 0.39 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.65 2jm5 h GLU 87 Cb -0.08 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 2jm5 h GLU 87 CO -0.10 -0.23 0.52 0.28 -0.73 0.00 0.00 179.01 178.74 2jm5 h VAL 88 N -0.36 1.20 -0.30 0.32 2.07 -0.83 -2.23 116.25 116.13 2jm5 h VAL 88 Ca 0.09 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 2jm5 h VAL 88 Cb 0.49 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 2jm5 h VAL 88 CO -0.31 0.19 0.13 0.40 0.02 0.00 0.00 177.57 178.00 2jm5 h ILE 89 N 1.06 1.17 0.00 4.57 2.04 -0.68 -0.21 117.51 125.46 2jm5 h ILE 89 Ca 0.29 -0.52 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 2jm5 h ILE 89 Cb -0.12 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 2jm5 h ILE 89 CO -0.06 0.18 -0.00 0.71 0.00 0.00 0.00 178.15 178.97 2jm5 h THR 90 N 0.34 0.64 0.00 -0.27 1.35 -0.13 0.22 112.91 115.05 2jm5 h THR 90 Ca 0.10 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.95 2jm5 h THR 90 Cb 0.17 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 2jm5 h THR 90 CO -0.01 0.00 -0.99 0.59 -0.25 0.00 0.00 175.52 174.86 2jm5 n ASN 91 N -4.01 0.64 -0.00 5.36 3.02 -0.88 -4.26 115.26 115.12 2jm5 n ASN 91 Ca -0.03 -0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.19 2jm5 n ASN 91 Cb 0.09 0.81 0.01 0.00 -0.61 0.00 0.00 39.78 40.07 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 -1.84 1.86 0.14 6.41 7.64 -0.14 -4.64 113.62 123.05 2jm5 n SER 92 Ca 0.02 -1.97 0.08 0.00 1.01 0.00 0.00 58.87 58.02 2jm5 n SER 92 Cb 0.41 -0.02 0.05 0.00 -1.01 0.00 0.00 64.21 63.64 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 0.24 0.22 0.00 0.44 6.09 -0.81 -2.84 117.51 120.85 2jm5 h ILE 93 Ca 0.00 -1.36 -0.02 0.00 -1.37 0.00 0.00 64.86 62.11 2jm5 h ILE 93 Cb 0.56 1.91 -0.00 0.00 0.47 0.00 0.00 36.82 39.75 2jm5 h ILE 93 CO 0.00 0.13 -0.11 0.00 -3.07 0.00 0.00 178.15 175.10 2jm5 h THR 94 N 0.00 0.87 -2.07 2.19 1.03 -1.83 -3.31 112.91 109.79 2jm5 h THR 94 Ca -0.03 -0.42 -0.57 0.00 -0.01 0.00 0.00 66.41 65.39 2jm5 h THR 94 Cb 1.15 1.24 -0.39 0.00 -1.07 0.00 0.00 68.15 69.09 2jm5 h THR 94 CO 0.02 0.11 -1.08 0.00 -0.01 0.00 0.00 175.52 174.56 2jm5 n GLN 95 N -4.09 0.64 -1.67 0.00 10.64 -1.14 -5.04 117.38 116.72 2jm5 n GLN 95 Ca -0.02 -3.23 -0.29 0.00 -1.83 0.00 0.00 57.00 51.62 2jm5 n GLN 95 Cb 0.20 -1.31 0.10 0.00 -0.86 0.00 0.00 30.24 28.37 2jm5 n GLN 95 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 2jm5 s PRO 96 N -0.98 1.85 0.30 2.61 0.04 -1.09 -4.94 135.00 132.80 2jm5 s PRO 96 Ca 0.35 0.38 0.02 0.00 0.04 0.00 0.00 61.00 61.79 2jm5 s PRO 96 Cb 0.15 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.75 2jm5 s PRO 96 CO -0.12 -1.73 0.31 0.95 0.04 0.00 0.00 177.00 176.45 2jm5 s THR 97 N -3.31 0.00 0.62 1.26 -4.23 -1.26 -4.81 115.64 103.90 2jm5 s THR 97 Ca 0.62 -1.86 0.34 0.00 -1.18 0.00 0.00 61.69 59.61 2jm5 s THR 97 Cb -0.13 -2.52 0.38 0.00 1.34 0.00 0.00 72.50 71.57 2jm5 s THR 97 CO 0.52 0.00 2.27 -0.07 -0.54 0.00 0.00 174.62 176.80 2jm5 h LEU 98 N 2.23 0.00 -3.35 4.79 4.07 -1.94 -2.16 115.31 118.95 2jm5 h LEU 98 Ca -0.28 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.46 2jm5 h LEU 98 Cb 1.24 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.84 2jm5 h LEU 98 CO 0.40 0.00 -0.28 1.41 -1.08 0.00 0.00 178.44 178.90 2jm5 n HIS 99 N -3.58 1.17 0.22 1.13 8.25 -1.26 -4.67 115.22 116.47 2jm5 n HIS 99 Ca -0.02 -1.76 0.05 0.00 -0.26 0.00 0.00 57.72 55.73 2jm5 n HIS 99 Cb 0.11 -0.45 0.48 0.00 1.12 0.00 0.00 29.99 31.25 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 1.24 0.00 -0.22 0.41 0.02 -1.79 -2.59 113.55 110.62 2jm5 h SER 100 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2jm5 h SER 100 Cb 1.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.96 2jm5 h SER 100 CO 0.40 0.22 0.00 0.49 -1.14 0.00 0.00 176.83 176.81 2jm5 n PHE 101 N -4.26 0.65 -0.12 3.45 3.72 -1.26 -4.68 117.46 114.95 2jm5 n PHE 101 Ca -0.02 -0.80 -0.08 0.00 -0.05 0.00 0.00 57.45 56.49 2jm5 n PHE 101 Cb 0.28 -0.22 -0.00 0.00 -0.94 0.00 0.00 39.48 38.60 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 1.46 0.46 -0.58 4.37 1.82 -1.76 0.38 116.42 122.57 2jm5 h ASP 102 Ca 0.00 -0.04 -0.09 0.00 -0.39 0.00 0.00 57.03 56.51 2jm5 h ASP 102 Cb 1.19 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 41.06 2jm5 h ASP 102 CO 0.13 0.37 0.03 0.00 -1.61 0.00 0.00 179.24 178.16 2jm5 h ALA 103 N 1.11 0.78 -0.20 -0.78 0.00 -1.83 -2.88 119.26 115.46 2jm5 h ALA 103 Ca 0.14 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 2jm5 h ALA 103 Cb -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2jm5 h ALA 103 CO -0.03 0.59 -0.27 0.00 0.00 0.00 0.00 179.25 179.54 2jm5 h ALA 104 N 0.98 1.17 -0.37 0.00 0.00 -1.70 -1.49 119.26 117.85 2jm5 h ALA 104 Ca 0.17 -0.34 0.05 0.00 0.00 0.00 0.00 54.91 54.79 2jm5 h ALA 104 Cb 0.52 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 2jm5 h ALA 104 CO 0.02 0.53 0.10 0.37 0.00 0.00 0.00 179.25 180.28 2jm5 h GLN 105 N 0.33 0.23 -0.44 0.00 -0.00 -0.09 -0.91 115.11 114.24 2jm5 h GLN 105 Ca 0.05 -0.01 -0.07 0.00 -0.00 0.00 0.00 58.65 58.62 2jm5 h GLN 105 Cb 0.66 -0.05 -0.02 0.00 0.00 0.00 0.00 27.48 28.07 2jm5 h GLN 105 CO 0.05 0.15 -0.01 1.03 0.00 0.00 0.00 178.83 180.06 2jm5 h SER 106 N 0.24 0.68 -0.12 -0.69 0.87 -1.14 0.48 113.55 113.87 2jm5 h SER 106 Ca 0.18 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 2jm5 h SER 106 Cb 0.18 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2jm5 h SER 106 CO -0.21 0.75 -0.03 0.03 -0.53 0.00 0.00 176.83 176.85 2jm5 h ARG 107 N 0.67 0.22 -0.08 2.24 2.47 -0.54 -1.23 114.38 118.14 2jm5 h ARG 107 Ca 0.13 -0.08 -0.14 0.00 -1.26 0.00 0.00 59.98 58.63 2jm5 h ARG 107 Cb 0.43 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.72 2jm5 h ARG 107 CO 0.02 0.52 -0.56 0.28 0.56 0.00 0.00 179.97 180.79 2jm5 h VAL 108 N -0.10 1.37 -0.17 2.04 2.07 -1.04 0.17 116.25 120.60 2jm5 h VAL 108 Ca 0.03 -1.88 0.04 0.00 0.82 0.00 0.00 66.70 65.71 2jm5 h VAL 108 Cb 0.44 1.93 -0.04 0.00 -1.52 0.00 0.00 31.29 32.10 2jm5 h VAL 108 CO 0.01 0.56 -0.09 0.22 0.02 0.00 0.00 177.57 178.29 2jm5 h TYR 109 N 0.17 -0.21 -0.00 1.57 5.03 -0.78 -0.52 116.97 122.23 2jm5 h TYR 109 Ca -0.00 0.02 -0.12 0.00 2.58 0.00 0.00 58.73 61.21 2jm5 h TYR 109 Cb 1.04 0.12 -0.02 0.00 1.55 0.00 0.00 36.73 39.42 2jm5 h TYR 109 CO 0.02 -0.14 -0.57 -0.56 -1.32 0.00 0.00 178.16 175.59 2jm5 h GLN 110 N -0.08 0.01 -0.21 1.82 3.07 -0.78 -0.92 115.11 118.02 2jm5 h GLN 110 Ca 0.10 -0.01 0.04 0.00 0.09 0.00 0.00 58.65 58.87 2jm5 h GLN 110 Cb 0.22 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.74 2jm5 h GLN 110 CO -0.22 0.57 -0.02 -0.07 0.09 0.00 0.00 178.83 179.19 2jm5 h LEU 111 N 0.01 -0.12 -0.77 0.06 3.38 -0.51 -1.61 115.31 115.75 2jm5 h LEU 111 Ca -0.01 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 2jm5 h LEU 111 Cb 1.00 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 2jm5 h LEU 111 CO 0.07 -0.03 -0.46 0.24 0.09 0.00 0.00 178.44 178.35 2jm5 h MET 112 N 0.04 0.37 0.67 1.13 2.86 -0.91 -3.00 114.93 116.10 2jm5 h MET 112 Ca 0.10 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 2jm5 h MET 112 Cb 0.14 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 2jm5 h MET 112 CO -0.18 0.75 -0.51 1.49 1.06 0.00 0.00 176.91 179.52 2jm5 h GLU 113 N 0.30 -1.09 -0.02 1.72 4.81 -0.73 0.27 114.58 119.84 2jm5 h GLU 113 Ca 0.02 0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 2jm5 h GLU 113 Cb 0.92 0.25 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 2jm5 h GLU 113 CO 0.08 -0.73 -0.19 -0.56 -0.73 0.00 0.00 179.01 176.88 2jm5 h GLN 114 N -1.13 0.03 0.00 1.92 3.07 -1.31 -2.24 115.11 115.44 2jm5 h GLN 114 Ca -0.09 -0.01 -0.31 0.00 0.09 0.00 0.00 58.65 58.34 2jm5 h GLN 114 Cb 0.94 -0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.45 2jm5 h GLN 114 CO 0.03 0.22 -2.06 -3.47 0.09 0.00 0.00 178.83 173.64 2jm5 n ASP 115 N -4.30 1.74 -0.06 0.06 2.03 -1.13 -4.75 116.55 110.13 2jm5 n ASP 115 Ca -0.02 0.13 -0.13 0.00 0.52 0.00 0.00 54.79 55.29 2jm5 n ASP 115 Cb 0.26 -0.48 -0.14 0.00 -0.72 0.00 0.00 41.12 40.03 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 -3.61 0.99 0.01 1.67 7.64 0.67 -4.16 113.62 116.83 2jm5 n SER 116 Ca -0.36 0.17 -0.04 0.00 1.01 0.00 0.00 58.87 59.65 2jm5 n SER 116 Cb 0.79 0.07 0.17 0.00 -1.01 0.00 0.00 64.21 64.23 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 0.01 0.58 0.27 1.43 3.20 -0.16 0.43 116.97 122.72 2jm5 h TYR 117 Ca -0.43 -0.13 -0.01 0.00 3.14 0.00 0.00 58.73 61.29 2jm5 h TYR 117 Cb 2.07 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 40.21 2jm5 h TYR 117 CO 0.02 0.75 -0.13 1.79 -1.64 0.00 0.00 178.16 178.95 2jm5 h THR 118 N 0.44 0.78 -0.79 1.81 1.35 -1.77 1.00 112.91 115.74 2jm5 h THR 118 Ca 0.06 -0.48 -0.00 0.00 -0.55 0.00 0.00 66.41 65.43 2jm5 h THR 118 Cb 0.73 1.05 -0.04 0.00 -1.73 0.00 0.00 68.15 68.16 2jm5 h THR 118 CO 0.06 0.10 0.48 0.03 -0.25 0.00 0.00 175.52 175.94 2jm5 h ARG 119 N -0.61 1.06 -0.60 4.72 3.08 -1.68 -1.60 114.38 118.75 2jm5 h ARG 119 Ca -0.04 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.93 2jm5 h ARG 119 Cb 0.44 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 2jm5 h ARG 119 CO 0.06 0.73 0.39 0.35 -1.07 0.00 0.00 179.97 180.43 2jm5 h PHE 120 N 1.08 0.77 0.00 3.04 3.57 0.08 0.45 116.94 125.92 2jm5 h PHE 120 Ca 0.28 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.80 2jm5 h PHE 120 Cb -0.06 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.42 2jm5 h PHE 120 CO 0.00 0.49 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.51 2jm5 h LEU 121 N 0.81 0.00 -2.95 0.59 3.38 0.21 0.50 115.31 117.86 2jm5 h LEU 121 Ca 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2jm5 h LEU 121 Cb -0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2jm5 h LEU 121 CO -0.05 0.00 -0.26 1.17 0.09 0.00 0.00 178.44 179.40 2jm5 n LYS 122 N -3.09 1.28 -1.65 1.13 4.81 -0.78 -4.71 118.16 115.15 2jm5 n LYS 122 Ca -0.02 -2.75 -0.31 0.00 -0.87 0.00 0.00 58.31 54.36 2jm5 n LYS 122 Cb 0.12 -1.43 0.04 0.00 0.02 0.00 0.00 35.03 33.78 2jm5 n LYS 122 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2jm5 s SER 123 N -2.88 5.54 0.25 3.14 1.04 0.15 -4.85 113.70 116.09 2jm5 s SER 123 Ca 0.33 1.60 -0.05 0.00 0.48 0.00 0.00 55.95 58.30 2jm5 s SER 123 Cb 0.30 -2.49 0.30 0.00 0.10 0.00 0.00 66.02 64.23 2jm5 s SER 123 CO -0.02 -1.33 1.90 -0.78 0.98 0.00 0.00 173.24 173.99 2jm5 h ASP 124 N -0.59 1.04 -0.36 7.02 3.58 -1.88 0.98 116.42 126.21 2jm5 h ASP 124 Ca -0.44 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 56.98 2jm5 h ASP 124 Cb 1.21 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 42.00 2jm5 h ASP 124 CO 0.58 0.71 0.15 -0.29 -2.88 0.00 0.00 179.24 177.50 2jm5 h ILE 125 N 1.21 1.19 -0.23 2.25 6.09 -1.93 0.13 117.51 126.21 2jm5 h ILE 125 Ca 0.38 -0.57 -0.14 0.00 -1.37 0.00 0.00 64.86 63.15 2jm5 h ILE 125 Cb -0.01 0.90 -0.01 0.00 0.47 0.00 0.00 36.82 38.17 2jm5 h ILE 125 CO -0.12 0.20 -0.44 0.22 -3.07 0.00 0.00 178.15 174.95 2jm5 h TYR 126 N 0.43 0.69 -0.00 2.19 3.20 -1.61 -1.92 116.97 119.95 2jm5 h TYR 126 Ca 0.12 -0.21 -0.06 0.00 3.14 0.00 0.00 58.73 61.72 2jm5 h TYR 126 Cb 0.18 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 2jm5 h TYR 126 CO -0.00 0.91 -0.28 -0.07 -1.64 0.00 0.00 178.16 177.08 2jm5 h LEU 127 N 0.46 0.00 -0.57 2.82 3.38 -0.61 -2.15 115.31 118.64 2jm5 h LEU 127 Ca 0.03 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 2jm5 h LEU 127 Cb 0.95 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 2jm5 h LEU 127 CO 0.09 0.28 -0.26 -0.78 0.09 0.00 0.00 178.44 177.86 2jm5 h ASP 128 N 0.00 0.88 -0.82 -0.43 3.58 -0.01 0.83 116.42 120.45 2jm5 h ASP 128 Ca -0.00 -0.35 0.00 0.00 0.42 0.00 0.00 57.03 57.10 2jm5 h ASP 128 Cb 0.50 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 41.26 2jm5 h ASP 128 CO 0.04 1.10 0.52 -0.07 -2.88 0.00 0.00 179.24 177.95 2jm5 h LEU 129 N 0.73 0.97 -0.08 2.28 3.38 -0.74 -0.24 115.31 121.61 2jm5 h LEU 129 Ca 0.09 -0.04 -0.24 0.00 0.09 0.00 0.00 57.88 57.78 2jm5 h LEU 129 Cb 0.81 -0.24 0.02 0.00 0.09 0.00 0.00 40.66 41.33 2jm5 h LEU 129 CO 0.07 0.72 -0.88 0.24 0.09 0.00 0.00 178.44 178.68 2jm5 h MET 130 N 1.13 0.74 0.00 1.13 2.86 -1.24 -3.00 114.93 116.55 2jm5 h MET 130 Ca 0.30 -0.69 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 2jm5 h MET 130 Cb -0.09 0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.74 2jm5 h MET 130 CO -0.06 1.28 0.00 -1.91 1.06 0.00 0.00 176.91 177.28 2jm5 n GLU 131 N -3.92 0.55 0.05 1.72 4.07 0.26 -2.20 120.64 121.18 2jm5 n GLU 131 Ca -0.09 0.00 0.11 0.00 -0.06 0.00 0.00 57.16 57.12 2jm5 n GLU 131 Cb 0.80 -1.43 0.46 0.00 -0.06 0.00 0.00 31.44 31.21 2jm5 n GLU 131 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2jm5 n GLY 132 N 0.09 -1.36 0.93 8.31 0.00 -0.18 -5.01 105.19 107.97 2jm5 n GLY 132 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2jm5 n GLY 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jm5 n ARG 133 N -1.84 -2.43 0.00 1.61 1.74 -0.93 -4.95 116.66 109.86 2jm5 n ARG 133 Ca 0.05 1.89 0.04 0.00 -0.77 0.00 0.00 57.85 59.05 2jm5 n ARG 133 Cb 0.29 -2.37 0.22 0.00 -1.02 0.00 0.00 32.46 29.59 2jm5 n ARG 133 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76