#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 0.38 -0.07 1.43 0.23 -1.26 -5.16 119.30 114.85 2jm5 s MET 2 Ca 0.00 0.81 -0.05 0.00 -1.03 0.00 0.00 55.69 55.42 2jm5 s MET 2 Cb 0.00 0.48 0.03 0.00 -1.53 0.00 0.00 34.83 33.80 2jm5 s MET 2 CO 0.00 -0.27 0.19 0.54 -2.03 0.00 0.00 175.02 173.45 2jm5 s VAL 3 N 2.75 -0.02 0.27 5.16 0.11 -1.26 -4.98 120.40 122.43 2jm5 s VAL 3 Ca 0.03 0.07 -0.29 0.00 -2.93 0.00 0.00 61.98 58.85 2jm5 s VAL 3 Cb -0.10 -0.28 -0.09 0.00 -1.53 0.00 0.00 36.38 34.38 2jm5 s VAL 3 CO -0.17 0.03 1.02 -0.44 -3.33 0.00 0.00 175.10 172.21 2jm5 s SER 4 N 0.55 7.41 0.45 3.54 0.01 -1.26 -4.89 113.70 119.50 2jm5 s SER 4 Ca -0.04 2.10 0.25 0.00 1.31 0.00 0.00 55.95 59.57 2jm5 s SER 4 Cb -0.05 -2.62 1.27 0.00 0.21 0.00 0.00 66.02 64.83 2jm5 s SER 4 CO -0.03 -0.03 1.79 -0.65 0.41 0.00 0.00 173.24 174.73 2jm5 h PRO 5 N 3.85 0.24 0.17 12.44 0.11 -1.88 0.70 132.00 147.63 2jm5 h PRO 5 Ca -0.46 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2jm5 h PRO 5 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2jm5 h PRO 5 CO 0.67 0.16 -0.08 1.49 -0.21 0.00 0.00 178.00 180.02 2jm5 h GLU 6 N 0.24 -0.22 -0.00 1.05 4.22 -1.91 0.98 114.58 118.94 2jm5 h GLU 6 Ca 0.58 0.02 -0.09 0.00 0.08 0.00 0.00 59.36 59.94 2jm5 h GLU 6 Cb 1.77 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 31.05 2jm5 h GLU 6 CO -0.19 0.05 -0.42 1.49 -2.18 0.00 0.00 179.01 177.75 2jm5 h GLU 7 N -0.48 0.00 -0.36 1.92 4.81 -1.60 -2.09 114.58 116.77 2jm5 h GLU 7 Ca -0.02 -0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.09 2jm5 h GLU 7 Cb 0.37 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2jm5 h GLU 7 CO 0.04 0.43 -0.24 0.00 -0.73 0.00 0.00 179.01 178.50 2jm5 h ALA 8 N 1.57 0.89 0.00 2.92 0.00 -0.66 -2.36 119.26 121.63 2jm5 h ALA 8 Ca -0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 2jm5 h ALA 8 Cb 0.75 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2jm5 h ALA 8 CO 0.06 0.62 -0.21 -0.39 0.00 0.00 0.00 179.25 179.33 2jm5 h VAL 9 N 0.63 0.92 -0.33 0.00 -1.51 -0.13 -1.10 116.25 114.73 2jm5 h VAL 9 Ca 0.09 -0.79 -0.03 0.00 -1.23 0.00 0.00 66.70 64.74 2jm5 h VAL 9 Cb 0.74 1.45 -0.02 0.00 -2.13 0.00 0.00 31.29 31.34 2jm5 h VAL 9 CO 0.06 0.21 0.06 0.11 -1.23 0.00 0.00 177.57 176.78 2jm5 h LYS 10 N 0.00 0.49 0.00 5.19 1.79 -1.03 -0.26 116.57 122.74 2jm5 h LYS 10 Ca -0.00 -0.08 -0.02 0.00 -2.18 0.00 0.00 60.65 58.37 2jm5 h LYS 10 Cb 0.44 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 31.00 2jm5 h LYS 10 CO 0.03 0.47 -0.09 -1.49 -1.08 0.00 0.00 179.45 177.29 2jm5 h TRP 11 N 0.48 0.00 -0.09 -1.35 6.55 -0.92 -0.76 115.95 119.86 2jm5 h TRP 11 Ca 0.11 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.95 2jm5 h TRP 11 Cb 0.22 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.52 2jm5 h TRP 11 CO 0.01 0.09 0.00 0.41 -1.05 0.00 0.00 178.44 177.89 2jm5 n GLY 12 N -0.90 -0.01 0.00 1.49 0.00 -0.12 -3.22 105.19 102.43 2jm5 n GLY 12 Ca -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 0.09 2.06 -3.15 1.61 -0.00 -0.32 -4.95 120.64 115.97 2jm5 n GLU 13 Ca 0.17 -1.22 0.05 0.00 -0.00 0.00 0.00 57.16 56.17 2jm5 n GLU 13 Cb 0.30 -0.93 -0.01 0.00 -0.00 0.00 0.00 31.44 30.80 2jm5 n GLU 13 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2jm5 s SER 14 N -0.73 -0.39 0.52 -1.84 0.15 -1.04 -5.02 113.70 105.35 2jm5 s SER 14 Ca 0.00 0.17 0.21 0.00 0.70 0.00 0.00 55.95 57.03 2jm5 s SER 14 Cb 0.00 1.30 1.33 0.00 -1.71 0.00 0.00 66.02 66.94 2jm5 s SER 14 CO 0.00 -0.07 2.06 0.15 1.20 0.00 0.00 173.24 176.57 2jm5 h PHE 15 N 7.76 0.02 -0.19 3.44 3.57 -1.88 -1.94 116.94 127.71 2jm5 h PHE 15 Ca -0.12 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.41 2jm5 h PHE 15 Cb 1.17 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 2jm5 h PHE 15 CO 0.00 0.01 0.04 0.22 -2.23 0.00 0.00 178.31 176.36 2jm5 h ASP 16 N 0.02 0.02 0.99 0.41 3.58 -1.95 0.56 116.42 120.06 2jm5 h ASP 16 Ca 0.15 0.03 -0.13 0.00 0.42 0.00 0.00 57.03 57.50 2jm5 h ASP 16 Cb 0.59 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.65 2jm5 h ASP 16 CO -0.01 0.04 -0.62 0.07 -2.88 0.00 0.00 179.24 175.84 2jm5 h LYS 17 N 0.12 0.00 0.32 0.28 2.10 -1.71 0.84 116.57 118.52 2jm5 h LYS 17 Ca 0.09 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.73 2jm5 h LYS 17 Cb 0.08 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.40 2jm5 h LYS 17 CO -0.11 0.62 -0.20 1.25 -2.00 0.00 0.00 179.45 179.01 2jm5 h LEU 18 N 0.00 -0.51 -0.89 7.07 5.85 -1.17 -2.86 115.31 122.79 2jm5 h LEU 18 Ca -0.01 0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.63 2jm5 h LEU 18 Cb 1.29 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.45 2jm5 h LEU 18 CO 0.08 -0.32 -0.50 0.25 -0.34 0.00 0.00 178.44 177.61 2jm5 h LEU 19 N -0.51 0.13 -0.55 2.25 5.85 -0.61 -2.46 115.31 119.41 2jm5 h LEU 19 Ca -0.03 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2jm5 h LEU 19 Cb 0.42 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.41 2jm5 h LEU 19 CO 0.03 0.61 0.00 -1.20 -0.34 0.00 0.00 178.44 177.54 2jm5 n SER 20 N -3.94 0.84 -4.51 1.25 7.64 0.26 -4.23 113.62 110.94 2jm5 n SER 20 Ca -0.02 -1.35 -0.34 0.00 1.01 0.00 0.00 58.87 58.17 2jm5 n SER 20 Cb 0.53 -0.02 -0.12 0.00 -1.01 0.00 0.00 64.21 63.60 2jm5 n SER 20 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2jm5 s HIS 21 N -1.97 3.06 0.32 1.43 5.65 -0.96 -4.99 115.29 117.83 2jm5 s HIS 21 Ca 0.39 -0.27 0.01 0.00 0.25 0.00 0.00 55.06 55.44 2jm5 s HIS 21 Cb 0.20 -2.00 0.54 0.00 -1.18 0.00 0.00 32.58 30.14 2jm5 s HIS 21 CO 0.32 -0.04 1.96 0.00 -0.65 0.00 0.00 174.74 176.33 2jm5 h ARG 22 N 6.85 0.97 -0.39 2.88 3.08 -1.83 0.39 114.38 126.33 2jm5 h ARG 22 Ca -0.33 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.65 2jm5 h ARG 22 Cb 1.18 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 2jm5 h ARG 22 CO 0.64 0.64 0.17 -0.44 -1.07 0.00 0.00 179.97 179.91 2jm5 h ASP 23 N 1.00 0.49 0.26 7.04 5.19 -1.94 0.84 116.42 129.31 2jm5 h ASP 23 Ca 0.31 -0.04 -0.34 0.00 -0.62 0.00 0.00 57.03 56.34 2jm5 h ASP 23 Cb 0.01 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.40 2jm5 h ASP 23 CO -0.09 0.44 -1.71 1.23 -3.12 0.00 0.00 179.24 175.99 2jm5 h GLY 24 N 0.68 0.39 0.43 2.75 0.00 -1.03 0.96 103.07 107.27 2jm5 h GLY 24 Ca 0.14 -1.01 0.11 0.00 0.00 0.00 0.00 47.33 46.57 2jm5 h GLY 24 CO -0.02 0.88 0.46 -2.00 0.00 0.00 0.00 176.54 175.87 2jm5 h LEU 25 N 0.09 0.63 -0.20 3.11 6.46 0.01 0.35 115.31 125.77 2jm5 h LEU 25 Ca -0.32 0.06 -0.11 0.00 -0.12 0.00 0.00 57.88 57.39 2jm5 h LEU 25 Cb 2.08 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 41.95 2jm5 h LEU 25 CO 0.17 0.34 -0.30 -0.08 -0.62 0.00 0.00 178.44 177.94 2jm5 h GLU 26 N 0.74 0.55 -0.47 1.25 4.57 -0.82 -0.70 114.58 119.70 2jm5 h GLU 26 Ca 0.42 -0.33 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 2jm5 h GLU 26 Cb 0.46 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 2jm5 h GLU 26 CO -0.28 0.93 0.24 0.00 -1.18 0.00 0.00 179.01 178.72 2jm5 h ALA 27 N 0.61 0.61 -0.35 2.92 0.00 0.22 0.12 119.26 123.39 2jm5 h ALA 27 Ca 0.02 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 2jm5 h ALA 27 Cb 0.88 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2jm5 h ALA 27 CO 0.07 0.15 -0.19 0.35 0.00 0.00 0.00 179.25 179.63 2jm5 h PHE 28 N 0.62 0.85 -0.30 0.00 3.57 -0.39 -2.67 116.94 118.62 2jm5 h PHE 28 Ca 0.16 -0.22 -0.08 0.00 3.53 0.00 0.00 57.97 61.37 2jm5 h PHE 28 Cb 0.08 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 2jm5 h PHE 28 CO -0.01 0.94 -0.16 0.00 -2.23 0.00 0.00 178.31 176.85 2jm5 h THR 29 N 0.51 1.24 -0.47 4.41 1.03 -0.76 0.19 112.91 119.06 2jm5 h THR 29 Ca 0.07 -1.11 0.07 0.00 -0.01 0.00 0.00 66.41 65.44 2jm5 h THR 29 Cb 0.73 1.19 -0.06 0.00 -1.07 0.00 0.00 68.15 68.94 2jm5 h THR 29 CO 0.05 0.36 0.14 0.03 -0.01 0.00 0.00 175.52 176.10 2jm5 h ARG 30 N 0.48 0.29 -0.29 0.00 3.08 -0.50 0.58 114.38 118.02 2jm5 h ARG 30 Ca 0.08 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.04 2jm5 h ARG 30 Cb 0.55 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 2jm5 h ARG 30 CO 0.04 0.19 -0.10 0.35 -1.07 0.00 0.00 179.97 179.38 2jm5 h PHE 31 N 0.30 0.66 -0.07 3.04 3.57 -1.14 -1.32 116.94 121.97 2jm5 h PHE 31 Ca 0.23 -0.15 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 2jm5 h PHE 31 Cb 0.26 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 2jm5 h PHE 31 CO -0.18 0.79 -0.04 1.25 -2.23 0.00 0.00 178.31 177.90 2jm5 h LEU 32 N 0.33 0.09 -0.02 0.59 5.85 0.26 -0.13 115.31 122.28 2jm5 h LEU 32 Ca 0.07 -0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.61 2jm5 h LEU 32 Cb 0.60 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.62 2jm5 h LEU 32 CO 0.03 0.15 -0.65 0.11 -0.34 0.00 0.00 178.44 177.74 2jm5 h LYS 33 N 0.10 0.48 0.00 1.25 1.57 0.37 0.29 116.57 120.64 2jm5 h LYS 33 Ca 0.02 -0.49 -0.01 0.00 -1.87 0.00 0.00 60.65 58.30 2jm5 h LYS 33 Cb 0.15 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 2jm5 h LYS 33 CO 0.01 1.13 -0.06 0.00 -0.57 0.00 0.00 179.45 179.96 2jm5 h THR 34 N 0.03 0.13 -0.65 -0.16 1.03 -0.44 -1.73 112.91 111.12 2jm5 h THR 34 Ca -0.08 -0.84 0.00 0.00 -0.01 0.00 0.00 66.41 65.49 2jm5 h THR 34 Cb 1.34 1.74 0.00 0.00 -1.07 0.00 0.00 68.15 70.17 2jm5 h THR 34 CO 0.13 0.06 0.00 -1.84 -0.01 0.00 0.00 175.52 173.86 2jm5 n GLU 35 N -3.15 2.51 -1.79 0.00 -0.00 -0.14 -4.95 120.64 113.13 2jm5 n GLU 35 Ca 0.02 -2.33 -0.07 0.00 -0.00 0.00 0.00 57.16 54.78 2jm5 n GLU 35 Cb 0.41 -1.51 -0.01 0.00 -0.00 0.00 0.00 31.44 30.33 2jm5 n GLU 35 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2jm5 n PHE 36 N 1.39 -0.21 0.00 -1.84 7.35 -0.65 -4.97 117.46 118.52 2jm5 n PHE 36 Ca 0.22 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.91 2jm5 n PHE 36 Cb 0.55 -1.84 0.00 0.00 0.35 0.00 0.00 39.48 38.54 2jm5 n PHE 36 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 2jm5 n SER 37 N 0.70 0.00 0.00 -2.13 7.64 0.86 -4.90 113.62 115.80 2jm5 n SER 37 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.80 2jm5 n SER 37 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 2jm5 n SER 37 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2jm5 n GLU 38 N -1.35 0.00 -0.34 1.43 2.13 -0.25 -4.63 120.64 117.62 2jm5 n GLU 38 Ca 0.00 0.00 0.33 0.00 0.66 0.00 0.00 57.16 58.15 2jm5 n GLU 38 Cb 0.00 -0.09 0.59 0.00 0.27 0.00 0.00 31.44 32.21 2jm5 n GLU 38 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2jm5 n GLU 39 N 0.00 -0.05 0.14 5.31 0.28 -1.26 -1.86 120.64 123.20 2jm5 n GLU 39 Ca 0.00 1.30 -0.13 0.00 -0.16 0.00 0.00 57.16 58.17 2jm5 n GLU 39 Cb 0.00 -2.39 -0.08 0.00 1.43 0.00 0.00 31.44 30.40 2jm5 n GLU 39 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 2jm5 h ASN 40 N 0.00 -0.31 -0.11 -1.84 4.21 -1.96 0.24 115.58 115.81 2jm5 h ASN 40 Ca 0.83 -0.18 -0.20 0.00 1.21 0.00 0.00 56.30 57.96 2jm5 h ASN 40 Cb 2.31 0.08 0.00 0.00 -1.12 0.00 0.00 38.32 39.59 2jm5 h ASN 40 CO -0.67 0.02 -0.68 -0.29 -1.29 0.00 0.00 177.43 174.52 2jm5 h ILE 41 N -0.66 1.29 0.00 2.81 2.10 -1.74 -2.08 117.51 119.23 2jm5 h ILE 41 Ca -0.04 -1.91 -0.02 0.00 1.08 0.00 0.00 64.86 63.98 2jm5 h ILE 41 Cb 0.46 1.87 -0.00 0.00 -1.09 0.00 0.00 36.82 38.07 2jm5 h ILE 41 CO 0.06 0.60 -0.09 -0.33 -1.08 0.00 0.00 178.15 177.32 2jm5 h GLU 42 N 0.53 0.00 0.67 2.19 3.07 -1.51 -2.48 114.58 117.04 2jm5 h GLU 42 Ca -0.02 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.81 2jm5 h GLU 42 Cb 1.29 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.20 2jm5 h GLU 42 CO 0.14 0.09 -0.39 0.35 -1.40 0.00 0.00 179.01 177.80 2jm5 h PHE 43 N 0.00 -1.03 0.00 4.33 3.57 0.21 -1.05 116.94 122.97 2jm5 h PHE 43 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2jm5 h PHE 43 Cb 0.79 0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.90 2jm5 h PHE 43 CO 0.00 -0.59 0.00 0.11 -2.23 0.00 0.00 178.31 175.60 2jm5 h TRP 44 N -0.98 0.00 -0.70 0.41 5.08 -1.52 -1.48 115.95 116.75 2jm5 h TRP 44 Ca -0.09 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.89 2jm5 h TRP 44 Cb 0.78 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.90 2jm5 h TRP 44 CO -0.04 0.00 0.46 0.82 -1.28 0.00 0.00 178.44 178.40 2jm5 h ILE 45 N 0.00 1.18 -0.39 0.12 2.04 -1.18 0.55 117.51 119.84 2jm5 h ILE 45 Ca 0.00 -0.35 -0.10 0.00 1.00 0.00 0.00 64.86 65.41 2jm5 h ILE 45 Cb 0.59 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 2jm5 h ILE 45 CO 0.00 0.18 -0.14 0.00 0.00 0.00 0.00 178.15 178.19 2jm5 h ALA 46 N 1.25 0.54 -0.56 1.87 0.00 -0.55 -0.75 119.26 121.06 2jm5 h ALA 46 Ca 0.26 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2jm5 h ALA 46 Cb -0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2jm5 h ALA 46 CO -0.05 0.45 0.17 0.00 0.00 0.00 0.00 179.25 179.82 2jm5 h GLU 48 N 0.79 0.22 -0.75 0.00 4.39 0.08 -1.20 114.58 118.11 2jm5 h GLU 48 Ca 0.18 -0.22 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 2jm5 h GLU 48 Cb 0.29 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 2jm5 h GLU 48 CO -0.01 0.92 0.35 0.22 -1.16 0.00 0.00 179.01 179.34 2jm5 h ASP 49 N 0.14 0.99 -0.84 1.42 1.82 -0.73 -0.47 116.42 118.74 2jm5 h ASP 49 Ca -0.04 -0.14 0.03 0.00 -0.39 0.00 0.00 57.03 56.49 2jm5 h ASP 49 Cb 1.42 -0.26 -0.05 0.00 0.68 0.00 0.00 39.33 41.12 2jm5 h ASP 49 CO 0.13 0.85 0.55 0.15 -1.61 0.00 0.00 179.24 179.31 2jm5 h PHE 50 N 1.06 1.03 0.00 0.28 3.57 -0.45 -0.31 116.94 122.13 2jm5 h PHE 50 Ca 0.26 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 2jm5 h PHE 50 Cb 0.13 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 38.53 2jm5 h PHE 50 CO 0.01 0.61 -0.04 -0.22 -2.23 0.00 0.00 178.31 176.44 2jm5 h LYS 51 N 1.08 0.00 0.00 1.11 3.64 -0.18 -2.10 116.57 120.12 2jm5 h LYS 51 Ca 0.33 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.65 2jm5 h LYS 51 Cb -0.03 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 2jm5 h LYS 51 CO -0.10 0.04 -0.52 0.87 -2.27 0.00 0.00 179.45 177.47 2jm5 h LYS 52 N 0.00 0.00 -6.39 1.90 1.57 0.51 -3.44 116.57 110.72 2jm5 h LYS 52 Ca -0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 2jm5 h LYS 52 Cb 0.41 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 2jm5 h LYS 52 CO 0.00 0.21 0.77 -1.12 -0.57 0.00 0.00 179.45 178.75 2jm5 s SER 53 N -6.11 6.91 -0.02 0.86 0.01 -0.79 -4.88 113.70 109.68 2jm5 s SER 53 Ca 0.03 2.06 0.10 0.00 1.31 0.00 0.00 55.95 59.46 2jm5 s SER 53 Cb 0.07 -2.56 0.29 0.00 0.21 0.00 0.00 66.02 64.03 2jm5 s SER 53 CO 0.73 -0.67 1.24 2.29 0.41 0.00 0.00 173.24 177.25 2jm5 n LYS 54 N 5.09 2.88 -3.41 12.44 -0.00 -1.26 -4.92 118.16 128.99 2jm5 n LYS 54 Ca 0.12 -2.06 -0.41 0.00 -0.00 0.00 0.00 58.31 55.96 2jm5 n LYS 54 Cb 0.44 -1.29 -0.09 0.00 -0.00 0.00 0.00 35.03 34.09 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 -1.11 1.91 0.54 2.58 0.00 -1.26 -4.95 107.32 105.03 2jm5 s GLY 55 Ca 0.22 -1.30 0.23 0.00 0.00 0.00 0.00 44.72 43.88 2jm5 s GLY 55 CO 0.13 0.99 2.15 -0.56 0.00 0.00 0.00 173.10 175.82 2jm5 h PRO 56 N 8.52 0.00 -0.02 2.90 0.13 -2.01 -0.12 132.00 141.40 2jm5 h PRO 56 Ca -0.29 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.71 2jm5 h PRO 56 Cb 1.14 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 2jm5 h PRO 56 CO 0.70 0.05 -0.60 -0.56 -0.23 0.00 0.00 178.00 177.37 2jm5 h GLN 57 N 0.00 0.08 -0.36 0.86 -0.00 -2.01 -2.93 115.11 110.75 2jm5 h GLN 57 Ca -0.00 -0.05 -0.13 0.00 -0.00 0.00 0.00 58.65 58.47 2jm5 h GLN 57 Cb 0.12 0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 27.60 2jm5 h GLN 57 CO 0.01 0.65 -0.27 1.96 -0.00 0.00 0.00 178.83 181.18 2jm5 h GLN 58 N 0.06 0.81 -0.55 0.06 1.08 -1.44 -3.28 115.11 111.86 2jm5 h GLN 58 Ca -0.01 -0.40 0.11 0.00 -1.45 0.00 0.00 58.65 56.90 2jm5 h GLN 58 Cb 1.07 -0.00 -0.11 0.00 -0.05 0.00 0.00 27.48 28.39 2jm5 h GLN 58 CO 0.08 1.03 -0.17 0.82 -0.95 0.00 0.00 178.83 179.65 2jm5 h ILE 59 N 0.60 0.40 -0.58 2.54 1.08 -1.26 0.53 117.51 120.82 2jm5 h ILE 59 Ca 0.07 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.48 2jm5 h ILE 59 Cb 0.84 0.40 -0.03 0.00 -3.07 0.00 0.00 36.82 34.97 2jm5 h ILE 59 CO 0.07 0.00 0.13 0.45 -0.69 0.00 0.00 178.15 178.12 2jm5 h HIS 60 N -0.04 0.93 0.14 1.37 3.86 -1.61 0.19 115.15 119.99 2jm5 h HIS 60 Ca 0.26 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 2jm5 h HIS 60 Cb 0.44 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.64 2jm5 h HIS 60 CO -0.48 0.78 -0.07 -0.07 0.86 0.00 0.00 177.93 178.94 2jm5 h LEU 61 N 0.86 -0.16 -0.42 2.43 3.38 -1.23 -2.75 115.31 117.42 2jm5 h LEU 61 Ca 0.19 -0.22 0.07 0.00 0.09 0.00 0.00 57.88 58.00 2jm5 h LEU 61 Cb 0.32 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 2jm5 h LEU 61 CO 0.00 0.40 0.08 0.11 0.09 0.00 0.00 178.44 179.12 2jm5 h LYS 62 N -1.00 0.21 -0.05 1.13 1.79 -0.01 -0.40 116.57 118.24 2jm5 h LYS 62 Ca -0.02 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2jm5 h LYS 62 Cb 0.37 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 30.97 2jm5 h LYS 62 CO 0.03 0.14 0.02 0.00 -1.08 0.00 0.00 179.45 178.56 2jm5 h ALA 63 N 1.32 0.06 -0.38 3.86 0.00 -0.72 -0.37 119.26 123.04 2jm5 h ALA 63 Ca 0.21 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 2jm5 h ALA 63 Cb 0.25 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2jm5 h ALA 63 CO -0.27 -0.39 -0.02 -0.22 0.00 0.00 0.00 179.25 178.35 2jm5 h LYS 64 N -0.03 0.60 -0.07 0.00 1.63 -1.32 0.18 116.57 117.56 2jm5 h LYS 64 Ca 0.02 -0.15 -0.01 0.00 -0.85 0.00 0.00 60.65 59.66 2jm5 h LYS 64 Cb 0.10 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 31.65 2jm5 h LYS 64 CO -0.00 0.64 0.02 0.00 -3.45 0.00 0.00 179.45 176.66 2jm5 h ALA 65 N 1.41 0.09 -0.56 5.00 0.00 -0.75 0.21 119.26 124.66 2jm5 h ALA 65 Ca 0.12 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2jm5 h ALA 65 Cb 0.40 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2jm5 h ALA 65 CO 0.02 -0.30 -0.05 0.82 0.00 0.00 0.00 179.25 179.73 2jm5 h ILE 66 N -0.09 1.26 0.45 0.00 2.04 -0.76 -1.92 117.51 118.50 2jm5 h ILE 66 Ca 0.02 -1.19 -0.01 0.00 1.00 0.00 0.00 64.86 64.68 2jm5 h ILE 66 Cb 0.21 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 2jm5 h ILE 66 CO -0.00 0.43 -0.49 0.22 0.00 0.00 0.00 178.15 178.31 2jm5 h TYR 67 N 0.91 -1.34 0.00 1.37 3.20 -0.50 -0.87 116.97 119.75 2jm5 h TYR 67 Ca 0.15 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.04 2jm5 h TYR 67 Cb 0.60 0.53 0.00 0.00 1.54 0.00 0.00 36.73 39.40 2jm5 h TYR 67 CO 0.04 -0.64 0.00 0.93 -1.64 0.00 0.00 178.16 176.85 2jm5 h GLU 68 N -0.95 0.00 0.00 1.82 5.08 -0.86 0.55 114.58 120.22 2jm5 h GLU 68 Ca -0.05 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 2jm5 h GLU 68 Cb 0.84 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 2jm5 h GLU 68 CO -0.08 0.00 -1.23 -0.22 -1.00 0.00 0.00 179.01 176.47 2jm5 h LYS 69 N 0.00 0.00 0.00 2.33 3.64 -1.17 -3.38 116.57 117.99 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 0.49 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2jm5 h LYS 69 CO 0.00 0.19 0.00 1.19 -2.27 0.00 0.00 179.45 178.56 2jm5 n PHE 70 N -2.82 -1.59 0.26 1.91 3.72 -0.35 -2.62 117.46 115.98 2jm5 n PHE 70 Ca -0.06 0.28 0.11 0.00 -0.05 0.00 0.00 57.45 57.74 2jm5 n PHE 70 Cb 0.73 0.44 0.70 0.00 -0.94 0.00 0.00 39.48 40.41 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 0.67 -3.92 4.37 1.08 -0.52 -2.07 117.51 117.13 2jm5 h ILE 71 Ca 0.00 -0.49 -0.52 0.00 -0.39 0.00 0.00 64.86 63.46 2jm5 h ILE 71 Cb 0.00 1.30 0.06 0.00 -3.07 0.00 0.00 36.82 35.12 2jm5 h ILE 71 CO 0.00 0.12 0.56 -1.58 -0.69 0.00 0.00 178.15 176.55 2jm5 s GLN 72 N -4.33 4.12 -0.00 2.37 2.00 0.16 -4.87 119.66 119.10 2jm5 s GLN 72 Ca -0.03 1.99 -0.21 0.00 -2.00 0.00 0.00 55.36 55.11 2jm5 s GLN 72 Cb 0.14 -2.80 -0.22 0.00 0.80 0.00 0.00 33.01 30.93 2jm5 s GLN 72 CO 0.60 -0.31 1.12 1.15 -0.50 0.00 0.00 175.29 177.35 2jm5 h THR 73 N 2.53 1.45 -1.46 -0.34 2.02 -1.90 -3.25 112.91 111.95 2jm5 h THR 73 Ca -0.49 -1.94 -0.76 0.00 0.77 0.00 0.00 66.41 63.99 2jm5 h THR 73 Cb 1.24 2.52 -0.16 0.00 -1.74 0.00 0.00 68.15 70.01 2jm5 h THR 73 CO 0.63 0.56 1.97 0.47 0.37 0.00 0.00 175.52 179.52 2jm5 n ASP 74 N -4.33 5.30 -4.68 4.18 8.00 -1.26 -4.87 116.55 118.89 2jm5 n ASP 74 Ca -0.09 -3.13 -0.24 0.00 0.71 0.00 0.00 54.79 52.03 2jm5 n ASP 74 Cb 0.59 -1.46 -0.07 0.00 -0.02 0.00 0.00 41.12 40.16 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 0.09 3.25 0.43 2.24 0.00 -1.23 -5.01 121.76 121.52 2jm5 s ALA 75 Ca 0.40 -1.53 0.15 0.00 0.00 0.00 0.00 51.96 50.97 2jm5 s ALA 75 Cb 0.10 -0.93 0.96 0.00 0.00 0.00 0.00 23.12 23.25 2jm5 s ALA 75 CO 0.01 0.32 1.95 -1.00 0.00 0.00 0.00 175.76 177.05 2jm5 h PRO 76 N 2.05 0.00 0.00 0.00 0.13 -1.76 -3.35 132.00 129.08 2jm5 h PRO 76 Ca -0.46 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.55 2jm5 h PRO 76 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 2jm5 h PRO 76 CO 0.60 0.23 -1.27 1.17 -0.23 0.00 0.00 178.00 178.49 2jm5 n LYS 77 N -4.22 0.19 -1.32 0.86 3.00 -1.20 -5.13 118.16 110.34 2jm5 n LYS 77 Ca -0.02 0.08 0.17 0.00 -0.00 0.00 0.00 58.31 58.54 2jm5 n LYS 77 Cb 0.29 -0.82 -0.06 0.00 0.00 0.00 0.00 35.03 34.44 2jm5 n LYS 77 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2jm5 n GLU 78 N -3.50 -2.81 -4.07 1.64 0.28 -1.08 -5.00 120.64 106.11 2jm5 n GLU 78 Ca -0.15 2.04 -0.13 0.00 -0.16 0.00 0.00 57.16 58.75 2jm5 n GLU 78 Cb 0.53 -3.38 -0.12 0.00 1.43 0.00 0.00 31.44 29.91 2jm5 n GLU 78 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2jm5 s VAL 79 N -2.86 0.51 -0.13 3.84 1.01 -0.78 -4.83 120.40 117.16 2jm5 s VAL 79 Ca 0.00 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.03 2jm5 s VAL 79 Cb 0.00 -0.56 0.19 0.00 0.00 0.00 0.00 36.38 36.01 2jm5 s VAL 79 CO 0.00 -0.32 1.29 0.59 0.00 0.00 0.00 175.10 176.66 2jm5 n ASN 80 N 1.66 3.32 -4.75 3.32 3.02 -1.26 -4.94 115.26 115.62 2jm5 n ASN 80 Ca -0.22 -2.48 -0.38 0.00 -0.03 0.00 0.00 54.58 51.48 2jm5 n ASN 80 Cb 0.55 -0.62 0.03 0.00 -0.61 0.00 0.00 39.78 39.14 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 -0.97 3.83 0.24 3.41 2.96 -1.26 -4.94 118.68 121.95 2jm5 s LEU 81 Ca 0.17 2.59 -0.30 0.00 -0.22 0.00 0.00 54.13 56.36 2jm5 s LEU 81 Cb 0.14 -4.35 -0.14 0.00 0.50 0.00 0.00 46.19 42.34 2jm5 s LEU 81 CO 0.03 -1.47 1.16 -0.67 -1.32 0.00 0.00 176.35 174.08 2jm5 n ASP 82 N -1.08 1.67 0.04 3.68 2.03 -1.26 -4.84 116.55 116.79 2jm5 n ASP 82 Ca 0.11 1.16 -0.11 0.00 0.52 0.00 0.00 54.79 56.46 2jm5 n ASP 82 Cb 0.47 -1.30 -0.06 0.00 -0.72 0.00 0.00 41.12 39.51 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 2.94 -0.08 -0.30 -0.67 3.57 -1.99 -1.36 116.94 119.06 2jm5 h PHE 83 Ca -0.42 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.04 2jm5 h PHE 83 Cb 1.33 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 40.09 2jm5 h PHE 83 CO 0.52 -0.06 0.02 1.25 -2.23 0.00 0.00 178.31 177.81 2jm5 h HIS 84 N -0.06 0.45 0.09 0.41 2.76 -1.98 0.15 115.15 116.97 2jm5 h HIS 84 Ca 0.02 -0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2jm5 h HIS 84 Cb 0.08 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 28.91 2jm5 h HIS 84 CO -0.11 0.44 -0.04 1.15 -1.30 0.00 0.00 177.93 178.06 2jm5 h THR 85 N 0.43 1.09 -0.29 6.26 2.02 -1.83 -1.31 112.91 119.28 2jm5 h THR 85 Ca 0.10 -0.68 -0.04 0.00 0.77 0.00 0.00 66.41 66.55 2jm5 h THR 85 Cb 0.26 1.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 2jm5 h THR 85 CO 0.01 0.17 -0.02 0.07 0.37 0.00 0.00 175.52 176.11 2jm5 h LYS 86 N -0.44 0.44 -0.19 6.66 2.10 -0.95 -2.41 116.57 121.78 2jm5 h LYS 86 Ca -0.01 -0.09 0.05 0.00 -2.00 0.00 0.00 60.65 58.60 2jm5 h LYS 86 Cb 0.37 -0.07 -0.06 0.00 -0.90 0.00 0.00 32.23 31.58 2jm5 h LYS 86 CO 0.02 0.48 -0.16 1.49 -2.00 0.00 0.00 179.45 179.28 2jm5 h GLU 87 N 0.42 -0.17 -0.87 0.07 4.81 -0.52 0.46 114.58 118.80 2jm5 h GLU 87 Ca 0.09 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2jm5 h GLU 87 Cb 0.31 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 2jm5 h GLU 87 CO 0.01 -0.11 0.55 0.28 -0.73 0.00 0.00 179.01 179.01 2jm5 h VAL 88 N -0.17 1.23 -0.29 0.32 2.07 -0.80 -1.79 116.25 116.82 2jm5 h VAL 88 Ca 0.12 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 2jm5 h VAL 88 Cb 0.35 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 2jm5 h VAL 88 CO -0.30 0.23 0.12 0.40 0.02 0.00 0.00 177.57 178.04 2jm5 h ILE 89 N 1.18 1.17 0.00 4.57 2.04 -0.91 0.75 117.51 126.31 2jm5 h ILE 89 Ca 0.31 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2jm5 h ILE 89 Cb -0.09 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 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 0.31 0.00 0.07 -0.27 1.35 0.65 0.39 112.91 115.41 2jm5 h THR 90 Ca 0.10 -0.09 -0.32 0.00 -0.55 0.00 0.00 66.41 65.55 2jm5 h THR 90 Cb 0.17 0.97 -0.03 0.00 -1.73 0.00 0.00 68.15 67.53 2jm5 h THR 90 CO -0.01 0.00 -1.77 0.59 -0.25 0.00 0.00 175.52 174.08 2jm5 n ASN 91 N -2.87 2.03 -1.00 5.36 3.02 -0.75 -4.39 115.26 116.65 2jm5 n ASN 91 Ca -0.02 0.28 0.09 0.00 -0.03 0.00 0.00 54.58 54.90 2jm5 n ASN 91 Cb 0.11 -0.89 0.24 0.00 -0.61 0.00 0.00 39.78 38.63 2jm5 n ASN 91 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2jm5 n SER 92 N -3.83 2.91 0.05 6.41 2.88 0.20 -3.97 113.62 118.26 2jm5 n SER 92 Ca -0.33 -2.01 -0.01 0.00 -1.33 0.00 0.00 58.87 55.18 2jm5 n SER 92 Cb 0.91 -0.37 -0.07 0.00 -0.75 0.00 0.00 64.21 63.94 2jm5 n SER 92 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 2jm5 h ILE 93 N 3.14 0.67 0.00 2.46 6.09 -0.47 -3.08 117.51 126.32 2jm5 h ILE 93 Ca 0.00 -2.19 0.00 0.00 -1.37 0.00 0.00 64.86 61.30 2jm5 h ILE 93 Cb 0.74 2.19 0.00 0.00 0.47 0.00 0.00 36.82 40.22 2jm5 h ILE 93 CO 0.01 0.38 0.00 0.00 -3.07 0.00 0.00 178.15 175.47 2jm5 h THR 94 N 0.00 0.00 -2.19 2.19 1.03 -1.82 -3.27 112.91 108.85 2jm5 h THR 94 Ca -0.14 -0.49 -0.58 0.00 -0.01 0.00 0.00 66.41 65.20 2jm5 h THR 94 Cb 1.61 1.46 -0.40 0.00 -1.07 0.00 0.00 68.15 69.75 2jm5 h THR 94 CO 0.06 0.00 -0.93 0.00 -0.01 0.00 0.00 175.52 174.64 2jm5 n GLN 95 N -3.02 1.13 -1.75 0.00 6.02 -1.19 -5.12 117.38 113.45 2jm5 n GLN 95 Ca 0.01 -3.65 -0.32 0.00 -0.01 0.00 0.00 57.00 53.03 2jm5 n GLN 95 Cb 0.30 -1.61 0.04 0.00 1.02 0.00 0.00 30.24 29.98 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 -1.29 2.95 0.00 -1.09 0.04 -1.17 -4.86 135.00 129.58 2jm5 s PRO 96 Ca 0.35 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.57 2jm5 s PRO 96 Cb 0.13 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.68 2jm5 s PRO 96 CO -0.11 -1.10 0.00 0.25 0.04 0.00 0.00 177.00 176.08 2jm5 n THR 97 N -2.60 0.00 1.29 1.26 -2.24 -1.26 -4.92 114.28 105.80 2jm5 n THR 97 Ca 0.09 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.01 2jm5 n THR 97 Cb 0.53 0.00 0.62 0.00 -2.10 0.00 0.00 70.33 69.38 2jm5 n THR 97 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2jm5 n LEU 98 N 0.00 0.23 -1.42 3.22 7.99 -1.26 -3.74 117.00 122.02 2jm5 n LEU 98 Ca 0.00 0.19 0.02 0.00 -0.01 0.00 0.00 56.01 56.22 2jm5 n LEU 98 Cb 0.00 -0.29 0.08 0.00 -0.11 0.00 0.00 43.42 43.10 2jm5 n LEU 98 CO 0.00 0.05 0.15 1.41 -1.51 0.00 0.00 177.39 177.48 2jm5 n HIS 99 N -1.22 0.32 0.12 -1.77 8.25 -1.26 -4.35 115.22 115.29 2jm5 n HIS 99 Ca 0.12 -1.09 0.05 0.00 -0.26 0.00 0.00 57.72 56.55 2jm5 n HIS 99 Cb 0.29 -0.20 0.50 0.00 1.12 0.00 0.00 29.99 31.69 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 1.26 0.26 -0.31 0.41 0.02 -1.93 -2.46 113.55 110.79 2jm5 h SER 100 Ca -0.12 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.80 2jm5 h SER 100 Cb 1.54 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 64.01 2jm5 h SER 100 CO 0.12 0.22 0.01 0.49 -1.14 0.00 0.00 176.83 176.53 2jm5 n PHE 101 N -4.47 1.11 -0.04 3.45 3.72 -1.26 -4.66 117.46 115.32 2jm5 n PHE 101 Ca 0.00 -0.93 -0.10 0.00 -0.05 0.00 0.00 57.45 56.37 2jm5 n PHE 101 Cb 0.10 -0.36 0.04 0.00 -0.94 0.00 0.00 39.48 38.33 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 1.96 0.73 0.43 4.37 3.58 -1.80 -1.92 116.42 123.78 2jm5 h ASP 102 Ca 0.03 -0.36 -0.14 0.00 0.42 0.00 0.00 57.03 56.98 2jm5 h ASP 102 Cb 1.54 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 42.37 2jm5 h ASP 102 CO 0.28 1.09 -0.59 0.00 -2.88 0.00 0.00 179.24 177.14 2jm5 h ALA 103 N 0.94 0.93 0.00 -0.78 0.00 -1.84 -2.98 119.26 115.52 2jm5 h ALA 103 Ca 0.03 -0.53 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 2jm5 h ALA 103 Cb 1.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2jm5 h ALA 103 CO 0.10 0.72 -0.34 0.00 0.00 0.00 0.00 179.25 179.73 2jm5 h ALA 104 N 1.28 0.94 -0.26 0.00 0.00 -1.79 -2.58 119.26 116.85 2jm5 h ALA 104 Ca -0.00 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.65 2jm5 h ALA 104 Cb 1.07 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 2jm5 h ALA 104 CO 0.09 0.42 -0.07 0.37 0.00 0.00 0.00 179.25 180.06 2jm5 h GLN 105 N 0.00 -0.00 -0.31 0.00 4.15 -1.20 0.06 115.11 117.81 2jm5 h GLN 105 Ca -0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 2jm5 h GLN 105 Cb 0.94 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.61 2jm5 h GLN 105 CO 0.04 -0.00 0.11 0.77 -1.93 0.00 0.00 178.83 177.83 2jm5 h SER 106 N -0.00 0.44 -0.77 -0.69 0.02 -1.57 -0.41 113.55 110.57 2jm5 h SER 106 Ca 0.13 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 2jm5 h SER 106 Cb 0.19 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.58 2jm5 h SER 106 CO -0.27 0.50 0.44 0.03 -1.14 0.00 0.00 176.83 176.39 2jm5 h ARG 107 N 0.35 1.07 0.04 3.45 2.47 -1.11 -1.50 114.38 119.15 2jm5 h ARG 107 Ca 0.10 -0.11 -0.26 0.00 -1.26 0.00 0.00 59.98 58.46 2jm5 h ARG 107 Cb 0.21 -0.22 0.01 0.00 -1.65 0.00 0.00 29.97 28.32 2jm5 h ARG 107 CO -0.01 0.77 -1.07 0.28 0.56 0.00 0.00 179.97 180.51 2jm5 h VAL 108 N 1.08 1.36 -0.14 2.04 2.07 -0.80 -1.45 116.25 120.41 2jm5 h VAL 108 Ca 0.28 -2.48 0.05 0.00 0.82 0.00 0.00 66.70 65.36 2jm5 h VAL 108 Cb 0.00 2.53 -0.06 0.00 -1.52 0.00 0.00 31.29 32.25 2jm5 h VAL 108 CO -0.05 0.75 -0.22 0.22 0.02 0.00 0.00 177.57 178.29 2jm5 h TYR 109 N 0.26 -0.57 -0.11 1.57 5.03 -0.61 -1.87 116.97 120.67 2jm5 h TYR 109 Ca -0.12 0.03 -0.14 0.00 2.58 0.00 0.00 58.73 61.08 2jm5 h TYR 109 Cb 1.73 0.28 -0.01 0.00 1.55 0.00 0.00 36.73 40.27 2jm5 h TYR 109 CO 0.08 -0.30 -0.53 -0.56 -1.32 0.00 0.00 178.16 175.53 2jm5 h GLN 110 N -0.27 0.30 -0.13 1.82 3.07 -1.31 -0.48 115.11 118.11 2jm5 h GLN 110 Ca 0.10 -0.18 0.04 0.00 0.09 0.00 0.00 58.65 58.70 2jm5 h GLN 110 Cb 0.42 0.02 -0.04 0.00 0.08 0.00 0.00 27.48 27.96 2jm5 h GLN 110 CO -0.30 0.76 -0.13 1.25 0.09 0.00 0.00 178.83 180.50 2jm5 h LEU 111 N 0.24 -0.41 0.00 0.06 5.85 -0.87 -0.93 115.31 119.25 2jm5 h LEU 111 Ca 0.01 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 2jm5 h LEU 111 Cb 1.01 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 2jm5 h LEU 111 CO 0.09 -0.17 -0.46 0.00 -0.34 0.00 0.00 178.44 177.56 2jm5 h MET 112 N -0.16 0.00 0.85 1.25 -0.00 -1.28 -3.23 114.93 112.36 2jm5 h MET 112 Ca 0.09 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.75 2jm5 h MET 112 Cb 0.29 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.89 2jm5 h MET 112 CO -0.22 0.19 -0.41 1.49 -0.00 0.00 0.00 176.91 177.96 2jm5 h GLU 113 N 0.00 -1.09 0.00 -0.10 4.81 -0.36 0.35 114.58 118.19 2jm5 h GLU 113 Ca -0.02 0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 2jm5 h GLU 113 Cb 1.18 0.25 -0.01 0.00 0.63 0.00 0.00 28.75 30.80 2jm5 h GLU 113 CO 0.03 -0.72 -0.18 -0.56 -0.73 0.00 0.00 179.01 176.85 2jm5 h GLN 114 N -1.24 0.00 0.00 1.92 3.07 -1.32 -2.15 115.11 115.39 2jm5 h GLN 114 Ca -0.12 0.00 -0.33 0.00 0.09 0.00 0.00 58.65 58.29 2jm5 h GLN 114 Cb 0.88 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.39 2jm5 h GLN 114 CO 0.19 0.18 -2.10 -3.47 0.09 0.00 0.00 178.83 173.71 2jm5 n ASP 115 N -4.13 1.94 -0.06 0.06 -0.08 -1.20 -4.66 116.55 108.42 2jm5 n ASP 115 Ca -0.02 0.33 -0.13 0.00 -1.51 0.00 0.00 54.79 53.46 2jm5 n ASP 115 Cb 0.25 -0.79 -0.14 0.00 2.34 0.00 0.00 41.12 42.78 2jm5 n ASP 115 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2jm5 n SER 116 N -4.30 1.09 -0.19 1.67 2.88 0.10 -4.00 113.62 110.86 2jm5 n SER 116 Ca -0.43 0.15 -0.05 0.00 -1.33 0.00 0.00 58.87 57.21 2jm5 n SER 116 Cb 0.78 0.01 0.13 0.00 -0.75 0.00 0.00 64.21 64.38 2jm5 n SER 116 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 2jm5 h TYR 117 N 0.02 1.01 -0.32 0.66 3.20 -0.18 0.59 116.97 121.94 2jm5 h TYR 117 Ca -0.45 -0.10 -0.02 0.00 3.14 0.00 0.00 58.73 61.30 2jm5 h TYR 117 Cb 2.07 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 40.03 2jm5 h TYR 117 CO 0.02 0.83 0.10 1.79 -1.64 0.00 0.00 178.16 179.27 2jm5 h THR 118 N 0.93 1.20 -0.23 1.81 1.35 -1.75 0.99 112.91 117.22 2jm5 h THR 118 Ca 0.20 -0.65 -0.10 0.00 -0.55 0.00 0.00 66.41 65.31 2jm5 h THR 118 Cb 0.32 1.03 -0.01 0.00 -1.73 0.00 0.00 68.15 67.76 2jm5 h THR 118 CO -0.00 0.22 -0.30 0.03 -0.25 0.00 0.00 175.52 175.22 2jm5 h ARG 119 N 0.36 0.46 -0.80 4.72 3.08 -1.53 -1.98 114.38 118.70 2jm5 h ARG 119 Ca 0.10 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 2jm5 h ARG 119 Cb 0.24 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 2jm5 h ARG 119 CO -0.00 0.72 0.44 0.35 -1.07 0.00 0.00 179.97 180.41 2jm5 h PHE 120 N 0.40 1.10 -0.27 3.04 3.57 0.51 0.15 116.94 125.44 2jm5 h PHE 120 Ca 0.05 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.56 2jm5 h PHE 120 Cb 0.74 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 2jm5 h PHE 120 CO 0.02 0.77 0.18 -0.07 -2.23 0.00 0.00 178.31 176.98 2jm5 h LEU 121 N 1.11 0.18 -2.27 0.59 3.38 -0.05 -0.69 115.31 117.57 2jm5 h LEU 121 Ca 0.28 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 2jm5 h LEU 121 Cb 0.03 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2jm5 h LEU 121 CO -0.05 0.12 0.00 0.29 0.09 0.00 0.00 178.44 178.90 2jm5 n LYS 122 N -4.49 2.30 -1.37 1.13 4.76 -0.80 -4.70 118.16 114.99 2jm5 n LYS 122 Ca 0.02 -2.11 -0.31 0.00 -2.87 0.00 0.00 58.31 53.04 2jm5 n LYS 122 Cb 0.19 -1.45 0.08 0.00 -1.84 0.00 0.00 35.03 32.01 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 -1.39 4.79 0.37 4.39 1.04 0.45 -4.91 113.70 118.44 2jm5 s SER 123 Ca 0.33 1.77 0.20 0.00 0.48 0.00 0.00 55.95 58.73 2jm5 s SER 123 Cb 0.20 -2.51 0.51 0.00 0.10 0.00 0.00 66.02 64.32 2jm5 s SER 123 CO 0.28 -1.84 1.65 -0.78 0.98 0.00 0.00 173.24 173.52 2jm5 h ASP 124 N -0.97 0.00 -0.34 7.02 3.58 -1.90 -1.85 116.42 121.98 2jm5 h ASP 124 Ca -0.44 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 56.90 2jm5 h ASP 124 Cb 1.22 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.27 2jm5 h ASP 124 CO 0.53 0.33 -0.22 -0.29 -2.88 0.00 0.00 179.24 176.71 2jm5 h ILE 125 N 0.00 1.29 -0.26 2.25 -0.00 -1.92 0.10 117.51 118.98 2jm5 h ILE 125 Ca -0.00 -1.36 -0.16 0.00 -0.00 0.00 0.00 64.86 63.33 2jm5 h ILE 125 Cb 1.03 1.43 -0.01 0.00 -0.00 0.00 0.00 36.82 39.28 2jm5 h ILE 125 CO 0.04 0.45 -0.49 0.22 -0.00 0.00 0.00 178.15 178.37 2jm5 h TYR 126 N 0.52 0.86 0.00 2.19 3.20 -1.71 -2.30 116.97 119.74 2jm5 h TYR 126 Ca 0.07 -0.29 -0.05 0.00 3.14 0.00 0.00 58.73 61.61 2jm5 h TYR 126 Cb 0.78 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 2jm5 h TYR 126 CO 0.06 1.05 -0.22 -0.07 -1.64 0.00 0.00 178.16 177.34 2jm5 h LEU 127 N 0.55 0.00 -0.80 2.82 -0.00 -1.17 -0.61 115.31 116.10 2jm5 h LEU 127 Ca 0.03 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.84 2jm5 h LEU 127 Cb 1.05 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.68 2jm5 h LEU 127 CO 0.10 0.22 0.11 -0.78 -0.00 0.00 0.00 178.44 178.09 2jm5 h ASP 128 N 0.00 0.96 -0.18 -0.43 3.58 -0.22 0.26 116.42 120.39 2jm5 h ASP 128 Ca -0.00 -0.21 -0.12 0.00 0.42 0.00 0.00 57.03 57.12 2jm5 h ASP 128 Cb 0.52 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 2jm5 h ASP 128 CO 0.03 0.95 -0.29 -0.07 -2.88 0.00 0.00 179.24 176.98 2jm5 h LEU 129 N 0.95 0.68 -0.21 2.28 3.38 -1.04 -3.20 115.31 118.16 2jm5 h LEU 129 Ca 0.19 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2jm5 h LEU 129 Cb 0.40 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2jm5 h LEU 129 CO 0.01 0.93 0.04 0.24 0.09 0.00 0.00 178.44 179.76 2jm5 h MET 130 N 0.57 0.34 -1.66 1.13 2.86 -0.22 -3.36 114.93 114.58 2jm5 h MET 130 Ca 0.07 -0.09 -0.27 0.00 -2.06 0.00 0.00 59.70 57.36 2jm5 h MET 130 Cb 0.78 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.37 2jm5 h MET 130 CO 0.06 0.47 -0.33 0.39 1.06 0.00 0.00 176.91 178.57 2jm5 n GLU 131 N -4.75 -1.05 -0.01 1.72 -0.58 0.82 -4.81 120.64 111.98 2jm5 n GLU 131 Ca -0.04 0.72 -0.13 0.00 -0.42 0.00 0.00 57.16 57.29 2jm5 n GLU 131 Cb 0.18 -4.93 -0.01 0.00 -0.57 0.00 0.00 31.44 26.11 2jm5 n GLU 131 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2jm5 h GLY 132 N 0.00 0.73 -4.31 0.62 0.00 -1.91 -3.49 103.07 94.71 2jm5 h GLY 132 Ca -0.31 -0.94 0.01 0.00 0.00 0.00 0.00 47.33 46.08 2jm5 h GLY 132 CO 0.38 0.84 -1.03 0.54 0.00 0.00 0.00 176.54 177.28 2jm5 n ARG 133 N -3.94 -2.98 0.00 4.80 1.74 -1.26 -5.20 116.66 109.82 2jm5 n ARG 133 Ca -0.05 2.42 0.00 0.00 -0.77 0.00 0.00 57.85 59.45 2jm5 n ARG 133 Cb 0.67 -3.71 0.00 0.00 -1.02 0.00 0.00 32.46 28.40 2jm5 n ARG 133 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81