#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 4.15 -0.07 -1.46 1.75 -1.26 -4.92 119.30 117.48 2jm5 s MET 2 Ca 0.00 0.19 0.03 0.00 -1.25 0.00 0.00 55.69 54.66 2jm5 s MET 2 Cb 0.00 -3.56 0.01 0.00 2.84 0.00 0.00 34.83 34.12 2jm5 s MET 2 CO 0.00 -0.09 -0.17 0.54 -0.65 0.00 0.00 175.02 174.65 2jm5 s VAL 3 N 1.47 1.53 0.14 10.11 0.11 -1.26 -4.96 120.40 127.54 2jm5 s VAL 3 Ca 0.19 -0.72 -0.31 0.00 -2.93 0.00 0.00 61.98 58.20 2jm5 s VAL 3 Cb -0.15 -1.35 -0.09 0.00 -1.53 0.00 0.00 36.38 33.26 2jm5 s VAL 3 CO 0.08 0.44 1.47 -0.44 -3.33 0.00 0.00 175.10 173.33 2jm5 s SER 4 N 0.45 6.71 0.57 3.54 0.01 -1.26 -4.87 113.70 118.85 2jm5 s SER 4 Ca -0.15 2.48 0.29 0.00 1.31 0.00 0.00 55.95 59.88 2jm5 s SER 4 Cb -0.16 -2.59 1.46 0.00 0.21 0.00 0.00 66.02 64.94 2jm5 s SER 4 CO 0.05 -0.73 1.87 1.55 0.41 0.00 0.00 173.24 176.40 2jm5 h PRO 5 N 6.73 0.00 -0.05 12.44 0.13 -1.94 0.99 132.00 150.30 2jm5 h PRO 5 Ca -0.42 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2jm5 h PRO 5 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2jm5 h PRO 5 CO 0.88 0.00 0.03 0.93 -0.23 0.00 0.00 178.00 179.61 2jm5 h GLU 6 N 0.00 0.07 0.00 0.86 5.08 -1.87 -0.08 114.58 118.63 2jm5 h GLU 6 Ca 0.29 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.54 2jm5 h GLU 6 Cb 1.40 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 2jm5 h GLU 6 CO -0.00 0.10 -0.46 1.49 -1.00 0.00 0.00 179.01 179.13 2jm5 h GLU 7 N 0.02 0.00 -0.48 2.33 4.57 -1.22 -2.53 114.58 117.26 2jm5 h GLU 7 Ca 0.02 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.10 2jm5 h GLU 7 Cb 0.05 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 2jm5 h GLU 7 CO -0.00 0.46 -0.08 0.00 -1.18 0.00 0.00 179.01 178.21 2jm5 h ALA 8 N 1.54 0.66 0.00 2.92 0.00 -0.86 -2.28 119.26 121.25 2jm5 h ALA 8 Ca -0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 2jm5 h ALA 8 Cb 0.84 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2jm5 h ALA 8 CO 0.06 0.54 -0.21 -0.39 0.00 0.00 0.00 179.25 179.26 2jm5 h VAL 9 N 0.76 0.82 0.00 0.00 -1.51 -0.71 -1.52 116.25 114.10 2jm5 h VAL 9 Ca 0.13 -0.81 -0.03 0.00 -1.23 0.00 0.00 66.70 64.76 2jm5 h VAL 9 Cb 0.63 1.48 -0.00 0.00 -2.13 0.00 0.00 31.29 31.26 2jm5 h VAL 9 CO 0.04 0.20 -0.14 0.11 -1.23 0.00 0.00 177.57 176.56 2jm5 h LYS 10 N 0.00 0.00 0.00 5.19 1.79 -1.01 -1.47 116.57 121.07 2jm5 h LYS 10 Ca -0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 2jm5 h LYS 10 Cb 0.46 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.11 2jm5 h LYS 10 CO 0.03 0.14 -0.13 -1.49 -1.08 0.00 0.00 179.45 176.91 2jm5 h TRP 11 N 0.00 0.00 0.00 -1.35 6.55 -0.92 -0.54 115.95 119.69 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 0.29 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.59 2jm5 h TRP 11 CO 0.00 0.13 0.00 0.41 -1.05 0.00 0.00 178.44 177.93 2jm5 n GLY 12 N -0.60 -1.02 0.09 1.49 0.00 -0.55 -2.93 105.19 101.66 2jm5 n GLY 12 Ca -0.02 -0.13 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 0.00 -2.96 1.61 5.08 -1.19 -3.48 114.58 113.64 2jm5 h GLU 13 Ca 0.00 -0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 2jm5 h GLU 13 Cb 0.17 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 29.12 2jm5 h GLU 13 CO 0.00 1.00 -0.51 -1.12 -1.00 0.00 0.00 179.01 177.39 2jm5 s SER 14 N -6.58 -0.01 0.53 1.42 0.01 -1.15 -5.01 113.70 102.91 2jm5 s SER 14 Ca -0.24 0.55 0.23 0.00 1.31 0.00 0.00 55.95 57.79 2jm5 s SER 14 Cb 0.02 0.51 1.38 0.00 0.21 0.00 0.00 66.02 68.14 2jm5 s SER 14 CO 0.64 -0.20 2.05 0.15 0.41 0.00 0.00 173.24 176.29 2jm5 h PHE 15 N 7.63 0.00 -0.79 2.43 3.57 -1.93 -1.98 116.94 125.88 2jm5 h PHE 15 Ca -0.30 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.17 2jm5 h PHE 15 Cb 1.14 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.84 2jm5 h PHE 15 CO 0.36 0.00 0.37 0.38 -2.23 0.00 0.00 178.31 177.19 2jm5 h ASP 16 N 0.00 1.04 1.40 0.41 2.03 -1.95 0.28 116.42 119.62 2jm5 h ASP 16 Ca 0.16 -0.14 -0.11 0.00 -0.73 0.00 0.00 57.03 56.21 2jm5 h ASP 16 Cb 0.67 -0.27 -0.02 0.00 -0.83 0.00 0.00 39.33 38.89 2jm5 h ASP 16 CO -0.00 0.89 -0.52 0.07 -1.03 0.00 0.00 179.24 178.65 2jm5 h LYS 17 N 1.12 0.00 -0.05 4.15 2.10 -1.72 0.32 116.57 122.49 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 0.14 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.46 2jm5 h LYS 17 CO -0.03 0.52 0.02 1.25 -2.00 0.00 0.00 179.45 179.21 2jm5 h LEU 18 N 0.00 0.07 -0.51 7.07 5.85 -1.21 -3.03 115.31 123.55 2jm5 h LEU 18 Ca -0.01 -0.13 -0.17 0.00 0.84 0.00 0.00 57.88 58.41 2jm5 h LEU 18 Cb 1.36 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 2jm5 h LEU 18 CO 0.07 0.18 -0.63 0.25 -0.34 0.00 0.00 178.44 177.97 2jm5 h LEU 19 N -0.05 0.48 0.00 2.25 5.85 -0.70 -2.46 115.31 120.67 2jm5 h LEU 19 Ca 0.02 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.46 2jm5 h LEU 19 Cb 0.13 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2jm5 h LEU 19 CO -0.00 0.99 0.00 -1.20 -0.34 0.00 0.00 178.44 177.89 2jm5 n SER 20 N -3.89 0.00 -4.61 1.25 7.64 0.08 -4.33 113.62 109.76 2jm5 n SER 20 Ca -0.03 -1.00 -0.35 0.00 1.01 0.00 0.00 58.87 58.50 2jm5 n SER 20 Cb 0.65 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.75 2jm5 n SER 20 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2jm5 s HIS 21 N -2.00 3.23 0.39 1.43 2.46 -0.95 -4.97 115.29 114.87 2jm5 s HIS 21 Ca 0.45 0.02 0.10 0.00 0.47 0.00 0.00 55.06 56.10 2jm5 s HIS 21 Cb 0.20 -2.08 0.78 0.00 -0.13 0.00 0.00 32.58 31.35 2jm5 s HIS 21 CO 0.34 0.11 1.90 0.00 -2.47 0.00 0.00 174.74 174.63 2jm5 h ARG 22 N 6.80 0.20 -0.14 2.88 -0.00 -1.83 0.37 114.38 122.66 2jm5 h ARG 22 Ca -0.36 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.98 58.96 2jm5 h ARG 22 Cb 1.17 -0.03 -0.01 0.00 0.00 0.00 0.00 29.97 31.10 2jm5 h ARG 22 CO 0.69 0.37 -0.36 -0.44 0.00 0.00 0.00 179.97 180.24 2jm5 h ASP 23 N 0.19 0.30 0.19 7.04 3.32 -1.91 -1.11 116.42 124.44 2jm5 h ASP 23 Ca 0.04 -0.11 -0.32 0.00 0.02 0.00 0.00 57.03 56.65 2jm5 h ASP 23 Cb 0.42 -0.08 0.02 0.00 0.22 0.00 0.00 39.33 39.90 2jm5 h ASP 23 CO 0.03 0.64 -1.55 1.23 -1.72 0.00 0.00 179.24 177.86 2jm5 h GLY 24 N 1.13 0.46 0.54 2.75 0.00 -1.27 0.11 103.07 106.78 2jm5 h GLY 24 Ca 0.03 -1.18 0.13 0.00 0.00 0.00 0.00 47.33 46.31 2jm5 h GLY 24 CO 0.06 1.04 0.58 -2.00 0.00 0.00 0.00 176.54 176.22 2jm5 h LEU 25 N 0.01 0.72 -0.16 3.11 6.46 -0.04 0.39 115.31 125.79 2jm5 h LEU 25 Ca -0.30 0.04 -0.10 0.00 -0.12 0.00 0.00 57.88 57.41 2jm5 h LEU 25 Cb 2.03 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 41.86 2jm5 h LEU 25 CO 0.18 0.37 -0.27 -0.08 -0.62 0.00 0.00 178.44 178.02 2jm5 h GLU 26 N 0.76 0.47 -0.59 1.25 4.81 -1.13 0.23 114.58 120.39 2jm5 h GLU 26 Ca 0.45 -0.29 -0.10 0.00 -0.13 0.00 0.00 59.36 59.29 2jm5 h GLU 26 Cb 0.65 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 2jm5 h GLU 26 CO -0.22 0.89 -0.04 0.00 -0.73 0.00 0.00 179.01 178.91 2jm5 h ALA 27 N 0.58 0.81 -0.15 2.92 0.00 0.15 -2.03 119.26 121.54 2jm5 h ALA 27 Ca 0.01 -0.33 -0.20 0.00 0.00 0.00 0.00 54.91 54.39 2jm5 h ALA 27 Cb 0.85 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.43 2jm5 h ALA 27 CO 0.06 0.67 -0.69 0.35 0.00 0.00 0.00 179.25 179.64 2jm5 h PHE 28 N 0.96 0.98 0.00 0.00 3.57 -0.29 -2.64 116.94 119.53 2jm5 h PHE 28 Ca 0.16 -0.43 -0.05 0.00 3.53 0.00 0.00 57.97 61.18 2jm5 h PHE 28 Cb 0.61 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 2jm5 h PHE 28 CO 0.04 1.25 -0.24 0.00 -2.23 0.00 0.00 178.31 177.13 2jm5 h THR 29 N 0.44 1.05 -0.14 4.41 1.03 -0.40 0.32 112.91 119.61 2jm5 h THR 29 Ca -0.04 -0.84 -0.19 0.00 -0.01 0.00 0.00 66.41 65.33 2jm5 h THR 29 Cb 1.32 1.47 -0.00 0.00 -1.07 0.00 0.00 68.15 69.87 2jm5 h THR 29 CO 0.14 0.23 -0.68 0.03 -0.01 0.00 0.00 175.52 175.23 2jm5 h ARG 30 N 0.00 0.59 -0.49 0.00 3.08 -1.25 0.30 114.38 116.60 2jm5 h ARG 30 Ca -0.00 -0.44 -0.12 0.00 0.07 0.00 0.00 59.98 59.49 2jm5 h ARG 30 Cb 0.45 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 2jm5 h ARG 30 CO 0.03 1.06 -0.16 0.35 -1.07 0.00 0.00 179.97 180.19 2jm5 h PHE 31 N 0.42 1.11 0.00 3.04 3.57 -0.97 0.31 116.94 124.42 2jm5 h PHE 31 Ca -0.02 -0.25 -0.05 0.00 3.53 0.00 0.00 57.97 61.18 2jm5 h PHE 31 Cb 1.27 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 2jm5 h PHE 31 CO 0.06 1.06 -0.22 1.25 -2.23 0.00 0.00 178.31 178.23 2jm5 h LEU 32 N 0.84 0.00 0.01 0.59 5.85 -0.24 -2.11 115.31 120.26 2jm5 h LEU 32 Ca 0.12 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.58 2jm5 h LEU 32 Cb 0.73 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.77 2jm5 h LEU 32 CO 0.06 0.22 -1.14 0.50 -0.34 0.00 0.00 178.44 177.74 2jm5 h LYS 33 N 0.00 0.39 0.00 1.25 3.64 0.13 0.26 116.57 122.24 2jm5 h LYS 33 Ca -0.00 -0.54 -0.08 0.00 -1.27 0.00 0.00 60.65 58.76 2jm5 h LYS 33 Cb 0.57 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 2jm5 h LYS 33 CO 0.03 1.21 -0.38 0.00 -2.27 0.00 0.00 179.45 178.04 2jm5 h THR 34 N 0.17 0.96 -0.01 1.00 1.03 -0.37 -1.38 112.91 114.31 2jm5 h THR 34 Ca -0.13 -1.48 0.00 0.00 -0.01 0.00 0.00 66.41 64.79 2jm5 h THR 34 Cb 1.82 1.88 0.00 0.00 -1.07 0.00 0.00 68.15 70.78 2jm5 h THR 34 CO 0.20 0.37 -0.31 -1.84 -0.01 0.00 0.00 175.52 173.93 2jm5 n GLU 35 N -3.64 0.88 -1.30 0.00 0.28 -0.85 -4.96 120.64 111.06 2jm5 n GLU 35 Ca -0.01 -0.57 -0.10 0.00 -0.16 0.00 0.00 57.16 56.33 2jm5 n GLU 35 Cb 0.49 -1.49 -0.04 0.00 1.43 0.00 0.00 31.44 31.82 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 -0.57 0.00 0.04 -1.84 3.01 -0.28 -4.88 117.46 112.95 2jm5 n PHE 36 Ca 0.11 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.68 2jm5 n PHE 36 Cb 0.37 -2.10 0.28 0.00 -0.01 0.00 0.00 39.48 38.02 2jm5 n PHE 36 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2jm5 n SER 37 N -0.14 3.39 -0.12 4.37 7.64 0.76 -4.59 113.62 124.94 2jm5 n SER 37 Ca -0.10 -1.99 0.27 0.00 1.01 0.00 0.00 58.87 58.06 2jm5 n SER 37 Cb 0.39 -0.39 0.62 0.00 -1.01 0.00 0.00 64.21 63.82 2jm5 n SER 37 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2jm5 h GLU 38 N 3.82 0.00 0.00 1.43 4.11 -1.73 -1.77 114.58 120.44 2jm5 h GLU 38 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2jm5 h GLU 38 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2jm5 h GLU 38 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 179.01 180.01 2jm5 h GLU 39 N 0.00 0.00 0.11 1.06 5.08 -1.90 -2.11 114.58 116.82 2jm5 h GLU 39 Ca 0.40 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.47 2jm5 h GLU 39 Cb 2.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.38 2jm5 h GLU 39 CO -0.00 0.00 -1.35 -2.95 -1.00 0.00 0.00 179.01 173.71 2jm5 h ASN 40 N 0.00 0.38 -0.19 1.42 7.08 -1.71 0.62 115.58 123.18 2jm5 h ASN 40 Ca 0.00 -0.45 -0.11 0.00 -3.08 0.00 0.00 56.30 52.66 2jm5 h ASN 40 Cb 0.10 -0.12 -0.01 0.00 -2.08 0.00 0.00 38.32 36.20 2jm5 h ASN 40 CO 0.00 1.36 -0.27 -0.29 -2.08 0.00 0.00 177.43 176.15 2jm5 h ILE 41 N 0.07 1.28 0.00 6.14 2.10 -1.61 -1.27 117.51 124.21 2jm5 h ILE 41 Ca -0.17 -1.37 0.00 0.00 1.08 0.00 0.00 64.86 64.40 2jm5 h ILE 41 Cb 1.98 1.31 0.00 0.00 -1.09 0.00 0.00 36.82 39.02 2jm5 h ILE 41 CO 0.18 0.45 0.00 -0.33 -1.08 0.00 0.00 178.15 177.37 2jm5 h GLU 42 N 0.57 0.00 0.46 2.19 3.07 -1.42 -2.53 114.58 116.92 2jm5 h GLU 42 Ca 0.08 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.91 2jm5 h GLU 42 Cb 0.75 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.67 2jm5 h GLU 42 CO 0.06 0.00 -0.22 0.35 -1.40 0.00 0.00 179.01 177.80 2jm5 h PHE 43 N 0.00 -0.57 0.00 4.33 3.04 0.36 0.18 116.94 124.27 2jm5 h PHE 43 Ca 0.00 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.92 2jm5 h PHE 43 Cb 0.66 0.19 -0.00 0.00 2.56 0.00 0.00 35.95 39.36 2jm5 h PHE 43 CO 0.00 -0.28 -0.07 0.11 -2.02 0.00 0.00 178.31 176.05 2jm5 h TRP 44 N -0.80 0.00 -0.69 0.41 5.08 -1.44 -1.65 115.95 116.85 2jm5 h TRP 44 Ca -0.06 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.84 2jm5 h TRP 44 Cb 0.56 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.69 2jm5 h TRP 44 CO -0.01 0.07 0.17 0.82 -1.28 0.00 0.00 178.44 178.21 2jm5 h ILE 45 N 0.00 1.26 -0.23 0.12 2.04 -1.33 -0.30 117.51 119.06 2jm5 h ILE 45 Ca -0.00 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 64.87 2jm5 h ILE 45 Cb 0.68 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2jm5 h ILE 45 CO 0.01 0.37 0.06 0.00 0.00 0.00 0.00 178.15 178.59 2jm5 h ALA 46 N 1.08 1.68 -0.10 1.87 0.00 0.27 0.27 119.26 124.32 2jm5 h ALA 46 Ca 0.22 -0.09 -0.23 0.00 0.00 0.00 0.00 54.91 54.80 2jm5 h ALA 46 Cb 0.38 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.07 2jm5 h ALA 46 CO 0.00 0.25 -0.85 0.00 0.00 0.00 0.00 179.25 178.66 2jm5 h GLU 48 N 0.48 0.52 0.00 0.00 4.22 -0.70 -2.51 114.58 116.60 2jm5 h GLU 48 Ca -0.07 -0.51 -0.05 0.00 0.08 0.00 0.00 59.36 58.82 2jm5 h GLU 48 Cb 1.48 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.86 2jm5 h GLU 48 CO 0.17 1.14 -0.22 0.22 -2.18 0.00 0.00 179.01 178.14 2jm5 h ASP 49 N 0.32 0.00 -0.54 1.04 3.58 -0.45 -1.95 116.42 118.43 2jm5 h ASP 49 Ca -0.07 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.34 2jm5 h ASP 49 Cb 1.51 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.54 2jm5 h ASP 49 CO 0.16 0.22 0.19 0.15 -2.88 0.00 0.00 179.24 177.09 2jm5 h PHE 50 N 0.00 0.83 0.00 0.28 3.57 -0.30 -2.40 116.94 118.93 2jm5 h PHE 50 Ca -0.00 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.43 2jm5 h PHE 50 Cb 0.42 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.91 2jm5 h PHE 50 CO 0.00 0.70 0.00 0.36 -2.23 0.00 0.00 178.31 177.14 2jm5 n LYS 51 N -4.50 0.13 -0.25 1.11 2.85 -0.80 -2.90 118.16 113.81 2jm5 n LYS 51 Ca 0.02 0.14 -0.07 0.00 -1.05 0.00 0.00 58.31 57.35 2jm5 n LYS 51 Cb 0.18 -1.66 0.06 0.00 -0.65 0.00 0.00 35.03 32.95 2jm5 n LYS 51 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 2jm5 h LYS 52 N 0.00 1.12 -6.22 -1.58 1.57 -0.84 -3.38 116.57 107.24 2jm5 h LYS 52 Ca 0.00 -0.27 -0.57 0.00 -1.87 0.00 0.00 60.65 57.94 2jm5 h LYS 52 Cb 0.58 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.69 2jm5 h LYS 52 CO 0.00 0.99 0.88 -1.54 -0.57 0.00 0.00 179.45 179.21 2jm5 s SER 53 N -6.47 6.92 0.00 0.86 1.04 -1.14 -4.89 113.70 110.02 2jm5 s SER 53 Ca -0.12 1.33 0.16 0.00 0.48 0.00 0.00 55.95 57.80 2jm5 s SER 53 Cb 0.15 -2.54 0.34 0.00 0.10 0.00 0.00 66.02 64.07 2jm5 s SER 53 CO 0.85 -0.84 1.25 2.29 0.98 0.00 0.00 173.24 177.77 2jm5 n LYS 54 N 6.76 2.27 -2.96 4.02 -0.00 -1.26 -4.81 118.16 122.18 2jm5 n LYS 54 Ca 0.13 -2.02 -0.41 0.00 -0.00 0.00 0.00 58.31 56.00 2jm5 n LYS 54 Cb 0.46 -1.37 -0.05 0.00 -0.00 0.00 0.00 35.03 34.07 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 -1.14 1.77 0.36 2.58 0.00 -1.26 -4.95 107.32 104.69 2jm5 s GLY 55 Ca 0.29 -0.24 0.07 0.00 0.00 0.00 0.00 44.72 44.84 2jm5 s GLY 55 CO 0.23 1.69 1.94 -2.55 0.00 0.00 0.00 173.10 174.41 2jm5 h PRO 56 N 7.76 0.71 -0.80 2.90 0.11 -1.99 0.45 132.00 141.14 2jm5 h PRO 56 Ca -0.24 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.78 2jm5 h PRO 56 Cb 1.10 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.02 2jm5 h PRO 56 CO 0.84 0.47 0.33 -0.56 -0.21 0.00 0.00 178.00 178.88 2jm5 h GLN 57 N 0.73 1.19 -0.15 1.05 3.07 -2.00 -2.07 115.11 116.93 2jm5 h GLN 57 Ca 0.34 -0.20 -0.08 0.00 0.09 0.00 0.00 58.65 58.80 2jm5 h GLN 57 Cb 0.36 -0.20 -0.01 0.00 0.08 0.00 0.00 27.48 27.71 2jm5 h GLN 57 CO -0.12 0.95 -0.25 0.37 0.09 0.00 0.00 178.83 179.86 2jm5 h GLN 58 N 1.16 0.26 -0.37 0.06 5.75 -1.37 -2.57 115.11 118.02 2jm5 h GLN 58 Ca 0.27 -0.09 0.02 0.00 -0.15 0.00 0.00 58.65 58.70 2jm5 h GLN 58 Cb 0.19 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.69 2jm5 h GLN 58 CO -0.02 0.51 0.20 0.82 -2.65 0.00 0.00 178.83 177.69 2jm5 h ILE 59 N 0.24 1.01 -0.86 2.39 1.08 -0.48 0.14 117.51 121.03 2jm5 h ILE 59 Ca 0.04 -0.14 -0.02 0.00 -0.39 0.00 0.00 64.86 64.35 2jm5 h ILE 59 Cb 0.58 0.56 -0.04 0.00 -3.07 0.00 0.00 36.82 34.85 2jm5 h ILE 59 CO 0.04 0.08 0.47 0.45 -0.69 0.00 0.00 178.15 178.50 2jm5 h HIS 60 N 0.42 1.18 0.71 1.37 3.86 -1.26 0.24 115.15 121.67 2jm5 h HIS 60 Ca 0.15 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.30 2jm5 h HIS 60 Cb 0.03 -0.38 0.01 0.00 1.06 0.00 0.00 27.41 28.13 2jm5 h HIS 60 CO -0.08 0.82 -0.34 -0.07 0.86 0.00 0.00 177.93 179.11 2jm5 h LEU 61 N 1.20 -0.80 -0.41 2.43 3.38 -1.34 -1.52 115.31 118.25 2jm5 h LEU 61 Ca 0.30 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.37 2jm5 h LEU 61 Cb 0.03 0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 2jm5 h LEU 61 CO -0.05 -0.42 -0.02 0.11 0.09 0.00 0.00 178.44 178.15 2jm5 h LYS 62 N -1.24 0.08 -0.36 1.13 1.79 -0.63 -0.74 116.57 116.61 2jm5 h LYS 62 Ca -0.10 -0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.35 2jm5 h LYS 62 Cb 0.73 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.35 2jm5 h LYS 62 CO 0.16 0.05 0.16 0.00 -1.08 0.00 0.00 179.45 178.75 2jm5 h ALA 63 N 1.37 0.47 -0.33 3.86 0.00 -0.54 -0.82 119.26 123.26 2jm5 h ALA 63 Ca 0.20 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2jm5 h ALA 63 Cb 0.29 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2jm5 h ALA 63 CO -0.35 0.04 -0.12 -0.22 0.00 0.00 0.00 179.25 178.60 2jm5 h LYS 64 N 0.44 0.57 0.12 0.00 1.63 -0.96 0.33 116.57 118.70 2jm5 h LYS 64 Ca 0.12 -0.17 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 2jm5 h LYS 64 Cb 0.15 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 2jm5 h LYS 64 CO -0.01 0.68 -0.06 0.00 -3.45 0.00 0.00 179.45 176.61 2jm5 h ALA 65 N 1.35 -0.16 -0.38 5.00 0.00 -0.74 0.18 119.26 124.51 2jm5 h ALA 65 Ca 0.10 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2jm5 h ALA 65 Cb 0.52 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2jm5 h ALA 65 CO 0.03 -0.49 -0.08 0.82 0.00 0.00 0.00 179.25 179.53 2jm5 h ILE 66 N -0.36 1.24 0.82 0.00 2.04 -0.87 -0.22 117.51 120.17 2jm5 h ILE 66 Ca -0.02 -1.05 -0.04 0.00 1.00 0.00 0.00 64.86 64.76 2jm5 h ILE 66 Cb 0.29 1.04 0.01 0.00 -0.74 0.00 0.00 36.82 37.42 2jm5 h ILE 66 CO 0.03 0.35 -0.40 0.22 0.00 0.00 0.00 178.15 178.35 2jm5 h TYR 67 N 0.60 -1.05 0.00 1.37 3.20 -0.22 -0.87 116.97 120.01 2jm5 h TYR 67 Ca 0.11 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 2jm5 h TYR 67 Cb 0.50 0.35 -0.00 0.00 1.54 0.00 0.00 36.73 39.12 2jm5 h TYR 67 CO 0.02 -0.65 -0.12 0.93 -1.64 0.00 0.00 178.16 176.70 2jm5 h GLU 68 N -1.12 0.00 0.00 1.82 5.08 -0.44 0.41 114.58 120.33 2jm5 h GLU 68 Ca -0.11 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.13 2jm5 h GLU 68 Cb 0.86 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 2jm5 h GLU 68 CO 0.18 0.12 -1.22 -0.22 -1.00 0.00 0.00 179.01 176.87 2jm5 h LYS 69 N 0.00 0.00 0.00 2.33 3.64 -1.05 -3.38 116.57 118.11 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 0.38 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2jm5 h LYS 69 CO 0.02 0.23 0.00 1.19 -2.27 0.00 0.00 179.45 178.61 2jm5 n PHE 70 N -2.86 -1.12 0.27 1.91 3.72 -0.34 -2.49 117.46 116.53 2jm5 n PHE 70 Ca -0.06 0.20 0.15 0.00 -0.05 0.00 0.00 57.45 57.68 2jm5 n PHE 70 Cb 0.75 0.27 0.69 0.00 -0.94 0.00 0.00 39.48 40.26 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 0.30 -4.09 4.37 1.08 -0.50 -0.35 117.51 118.31 2jm5 h ILE 71 Ca 0.00 -0.63 -0.49 0.00 -0.39 0.00 0.00 64.86 63.36 2jm5 h ILE 71 Cb 0.00 1.48 0.05 0.00 -3.07 0.00 0.00 36.82 35.28 2jm5 h ILE 71 CO 0.00 0.09 0.40 -1.58 -0.69 0.00 0.00 178.15 176.37 2jm5 s GLN 72 N -3.85 3.56 -0.12 2.37 2.00 0.11 -4.89 119.66 118.84 2jm5 s GLN 72 Ca -0.01 1.45 -0.08 0.00 -2.00 0.00 0.00 55.36 54.73 2jm5 s GLN 72 Cb 0.11 -2.05 -0.26 0.00 0.80 0.00 0.00 33.01 31.61 2jm5 s GLN 72 CO 0.56 -0.65 0.36 2.41 -0.50 0.00 0.00 175.29 177.48 2jm5 n THR 73 N -1.22 1.77 0.98 -0.34 -1.04 -1.26 -3.80 114.28 109.38 2jm5 n THR 73 Ca 0.10 -0.61 0.00 0.00 -2.04 0.00 0.00 64.05 61.50 2jm5 n THR 73 Cb 0.52 -1.76 0.00 0.00 -1.82 0.00 0.00 70.33 67.27 2jm5 n THR 73 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2jm5 n ASP 74 N -3.55 2.85 -4.87 8.00 2.03 -1.26 -4.77 116.55 114.98 2jm5 n ASP 74 Ca -0.32 -1.97 -0.30 0.00 0.52 0.00 0.00 54.79 52.73 2jm5 n ASP 74 Cb 1.02 -0.49 0.06 0.00 -0.72 0.00 0.00 41.12 40.99 2jm5 n ASP 74 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jm5 s ALA 75 N -0.03 2.75 0.31 -1.67 0.00 -1.25 -4.95 121.76 116.92 2jm5 s ALA 75 Ca 0.00 -0.34 0.37 0.00 0.00 0.00 0.00 51.96 52.00 2jm5 s ALA 75 Cb 0.00 -3.04 1.87 0.00 0.00 0.00 0.00 23.12 21.95 2jm5 s ALA 75 CO 0.00 -1.29 2.12 -1.00 0.00 0.00 0.00 175.76 175.59 2jm5 h PRO 76 N -0.77 0.00 0.00 0.00 0.13 -1.74 -3.38 132.00 126.24 2jm5 h PRO 76 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2jm5 h PRO 76 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2jm5 h PRO 76 CO 0.63 0.00 0.00 0.36 -0.23 0.00 0.00 178.00 178.76 2jm5 n LYS 77 N -2.91 0.00 -1.18 0.86 2.85 -1.25 -5.15 118.16 111.39 2jm5 n LYS 77 Ca -0.01 0.00 0.16 0.00 -1.05 0.00 0.00 58.31 57.40 2jm5 n LYS 77 Cb 0.14 -0.29 -0.04 0.00 -0.65 0.00 0.00 35.03 34.19 2jm5 n LYS 77 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 2jm5 n GLU 78 N -1.24 -2.41 -4.49 -1.58 0.28 -1.04 -4.97 120.64 105.19 2jm5 n GLU 78 Ca 0.00 1.63 -0.21 0.00 -0.16 0.00 0.00 57.16 58.43 2jm5 n GLU 78 Cb 0.00 -2.92 -0.14 0.00 1.43 0.00 0.00 31.44 29.80 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 -2.21 1.06 -0.14 3.84 1.01 -0.14 -4.83 120.40 118.99 2jm5 s VAL 79 Ca 0.00 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 2jm5 s VAL 79 Cb 0.00 -0.92 0.11 0.00 0.00 0.00 0.00 36.38 35.57 2jm5 s VAL 79 CO 0.00 0.17 1.88 0.59 0.00 0.00 0.00 175.10 177.74 2jm5 n ASN 80 N 2.39 5.45 -4.76 3.32 3.02 -1.26 -4.92 115.26 118.49 2jm5 n ASN 80 Ca -0.16 -2.66 -0.37 0.00 -0.03 0.00 0.00 54.58 51.36 2jm5 n ASN 80 Cb 0.55 -1.02 0.01 0.00 -0.61 0.00 0.00 39.78 38.71 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 -0.83 3.95 -0.06 3.41 2.96 -1.26 -4.91 118.68 121.93 2jm5 s LEU 81 Ca 0.14 2.46 -0.40 0.00 -0.22 0.00 0.00 54.13 56.12 2jm5 s LEU 81 Cb 0.11 -4.27 -0.18 0.00 0.50 0.00 0.00 46.19 42.35 2jm5 s LEU 81 CO 0.00 -1.16 1.31 -0.67 -1.32 0.00 0.00 176.35 174.51 2jm5 n ASP 82 N -0.71 1.02 0.07 3.68 2.03 -1.26 -4.79 116.55 116.58 2jm5 n ASP 82 Ca 0.09 1.14 0.08 0.00 0.52 0.00 0.00 54.79 56.61 2jm5 n ASP 82 Cb 0.47 -1.04 0.53 0.00 -0.72 0.00 0.00 41.12 40.36 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 4.30 0.29 -0.02 -0.67 -0.00 -1.99 -0.76 116.94 118.10 2jm5 h PHE 83 Ca -0.48 0.01 -0.25 0.00 -0.00 0.00 0.00 57.97 57.24 2jm5 h PHE 83 Cb 1.38 -0.10 0.01 0.00 -0.00 0.00 0.00 35.95 37.24 2jm5 h PHE 83 CO 0.61 0.17 -0.98 1.25 -0.00 0.00 0.00 178.31 179.37 2jm5 h HIS 84 N 0.31 0.91 0.06 6.09 2.76 -1.99 -1.58 115.15 121.71 2jm5 h HIS 84 Ca 0.13 -0.48 -0.00 0.00 -2.20 0.00 0.00 60.37 57.81 2jm5 h HIS 84 Cb 0.14 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 28.99 2jm5 h HIS 84 CO -0.00 1.31 -0.03 1.15 -1.30 0.00 0.00 177.93 179.06 2jm5 h THR 85 N 0.36 1.02 -0.63 6.26 2.02 -1.66 0.15 112.91 120.43 2jm5 h THR 85 Ca -0.11 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 2jm5 h THR 85 Cb 1.62 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 69.21 2jm5 h THR 85 CO 0.19 0.07 0.29 0.07 0.37 0.00 0.00 175.52 176.51 2jm5 h LYS 86 N -0.20 0.90 0.16 6.66 2.10 -1.21 -0.67 116.57 124.30 2jm5 h LYS 86 Ca -0.01 -0.12 0.01 0.00 -2.00 0.00 0.00 60.65 58.53 2jm5 h LYS 86 Cb 0.18 -0.17 -0.02 0.00 -0.90 0.00 0.00 32.23 31.32 2jm5 h LYS 86 CO 0.01 0.70 -0.20 1.49 -2.00 0.00 0.00 179.45 179.46 2jm5 h GLU 87 N 0.89 -0.39 -1.00 0.07 4.57 -0.97 0.17 114.58 117.92 2jm5 h GLU 87 Ca 0.22 0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.46 2jm5 h GLU 87 Cb 0.11 0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 28.73 2jm5 h GLU 87 CO -0.03 -0.26 0.65 0.28 -1.18 0.00 0.00 179.01 178.47 2jm5 h VAL 88 N -0.41 1.17 -0.40 0.32 2.07 -0.48 -1.19 116.25 117.33 2jm5 h VAL 88 Ca 0.01 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 2jm5 h VAL 88 Cb 0.40 -0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 2jm5 h VAL 88 CO -0.07 0.23 0.21 0.40 0.02 0.00 0.00 177.57 178.36 2jm5 h ILE 89 N 1.26 1.15 0.00 4.57 2.04 -0.58 -0.53 117.51 125.42 2jm5 h ILE 89 Ca 0.40 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 2jm5 h ILE 89 Cb 0.01 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 2jm5 h ILE 89 CO -0.13 0.16 -0.04 0.71 0.00 0.00 0.00 178.15 178.85 2jm5 h THR 90 N 0.51 0.52 0.00 -0.27 1.35 0.48 0.53 112.91 116.03 2jm5 h THR 90 Ca 0.14 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 2jm5 h THR 90 Cb 0.07 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 2jm5 h THR 90 CO -0.02 0.04 -0.94 0.59 -0.25 0.00 0.00 175.52 174.94 2jm5 n ASN 91 N -3.75 0.70 -0.04 5.36 3.02 -0.72 -4.19 115.26 115.65 2jm5 n ASN 91 Ca -0.03 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 2jm5 n ASN 91 Cb 0.13 0.53 0.00 0.00 -0.61 0.00 0.00 39.78 39.83 2jm5 n ASN 91 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2jm5 n SER 92 N -2.29 1.03 0.21 6.41 3.41 -0.28 -4.59 113.62 117.52 2jm5 n SER 92 Ca 0.01 -1.01 0.10 0.00 -0.26 0.00 0.00 58.87 57.71 2jm5 n SER 92 Cb 0.49 0.05 0.19 0.00 -0.26 0.00 0.00 64.21 64.67 2jm5 n SER 92 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 2jm5 h ILE 93 N 0.18 0.22 -0.11 -1.33 6.09 -0.18 -2.92 117.51 119.46 2jm5 h ILE 93 Ca 0.00 -1.25 -0.02 0.00 -1.37 0.00 0.00 64.86 62.22 2jm5 h ILE 93 Cb 0.04 2.05 -0.01 0.00 0.47 0.00 0.00 36.82 39.38 2jm5 h ILE 93 CO 0.00 0.12 -0.02 0.00 -3.07 0.00 0.00 178.15 175.18 2jm5 h THR 94 N 0.00 1.09 -2.34 2.19 1.03 -1.81 -3.30 112.91 109.77 2jm5 h THR 94 Ca -0.00 -0.34 -0.59 0.00 -0.01 0.00 0.00 66.41 65.47 2jm5 h THR 94 Cb 1.04 1.03 -0.39 0.00 -1.07 0.00 0.00 68.15 68.76 2jm5 h THR 94 CO 0.02 0.11 -0.93 0.00 -0.01 0.00 0.00 175.52 174.71 2jm5 n GLN 95 N -4.42 0.79 -1.48 0.00 6.02 -1.11 -5.12 117.38 112.06 2jm5 n GLN 95 Ca -0.01 -3.51 -0.31 0.00 -0.01 0.00 0.00 57.00 53.16 2jm5 n GLN 95 Cb 0.16 -1.67 0.08 0.00 1.02 0.00 0.00 30.24 29.82 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 -0.77 2.45 0.17 -1.09 0.04 -1.21 -4.96 135.00 129.64 2jm5 s PRO 96 Ca 0.33 0.90 0.03 0.00 0.04 0.00 0.00 61.00 62.30 2jm5 s PRO 96 Cb 0.08 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 2jm5 s PRO 96 CO -0.15 -1.43 0.17 0.25 0.04 0.00 0.00 177.00 175.88 2jm5 n THR 97 N -3.34 0.00 0.27 1.26 -2.24 -1.26 -4.88 114.28 104.09 2jm5 n THR 97 Ca 0.08 -1.14 0.16 0.00 -2.27 0.00 0.00 64.05 60.88 2jm5 n THR 97 Cb 0.54 0.60 0.81 0.00 -2.10 0.00 0.00 70.33 70.18 2jm5 n THR 97 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2jm5 h LEU 98 N 0.00 0.00 -4.75 3.22 -0.00 -1.95 -2.97 115.31 108.86 2jm5 h LEU 98 Ca -0.12 0.00 -0.44 0.00 -0.00 0.00 0.00 57.88 57.32 2jm5 h LEU 98 Cb 0.60 0.00 -0.41 0.00 -0.00 0.00 0.00 40.66 40.85 2jm5 h LEU 98 CO 0.17 0.00 -0.99 1.41 -0.00 0.00 0.00 178.44 179.04 2jm5 n HIS 99 N -2.63 2.09 0.86 1.13 8.25 -1.26 -4.22 115.22 119.44 2jm5 n HIS 99 Ca -0.01 -2.70 0.09 0.00 -0.26 0.00 0.00 57.72 54.84 2jm5 n HIS 99 Cb 0.10 -0.26 0.46 0.00 1.12 0.00 0.00 29.99 31.41 2jm5 n HIS 99 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2jm5 n SER 100 N -0.37 0.00 -0.32 0.41 7.64 -1.13 -1.98 113.62 117.87 2jm5 n SER 100 Ca 0.23 -0.00 0.07 0.00 1.01 0.00 0.00 58.87 60.17 2jm5 n SER 100 Cb 0.79 -0.27 0.11 0.00 -1.01 0.00 0.00 64.21 63.83 2jm5 n SER 100 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2jm5 n PHE 101 N -1.27 0.00 -0.17 1.43 3.72 -1.26 -4.78 117.46 115.13 2jm5 n PHE 101 Ca 0.09 -0.83 -0.08 0.00 -0.05 0.00 0.00 57.45 56.58 2jm5 n PHE 101 Cb 0.14 -0.14 0.01 0.00 -0.94 0.00 0.00 39.48 38.55 2jm5 n PHE 101 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 2jm5 h ASP 102 N 0.20 0.64 0.56 4.37 3.58 -1.77 -1.38 116.42 122.63 2jm5 h ASP 102 Ca -0.01 -0.11 -0.13 0.00 0.42 0.00 0.00 57.03 57.19 2jm5 h ASP 102 Cb 1.14 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 42.01 2jm5 h ASP 102 CO 0.01 0.57 -0.60 0.00 -2.88 0.00 0.00 179.24 176.34 2jm5 h ALA 103 N 1.09 0.99 0.00 -0.78 0.00 -1.89 -3.08 119.26 115.60 2jm5 h ALA 103 Ca 0.17 -0.54 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 2jm5 h ALA 103 Cb 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2jm5 h ALA 103 CO -0.02 0.74 -0.49 0.00 0.00 0.00 0.00 179.25 179.48 2jm5 h ALA 104 N 1.37 0.91 -0.45 0.00 0.00 -1.68 -2.40 119.26 117.01 2jm5 h ALA 104 Ca -0.01 -0.45 0.05 0.00 0.00 0.00 0.00 54.91 54.50 2jm5 h ALA 104 Cb 1.06 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 2jm5 h ALA 104 CO 0.08 0.61 0.20 1.96 0.00 0.00 0.00 179.25 182.10 2jm5 h GLN 105 N 0.00 0.38 -0.25 0.00 4.20 -1.19 -0.25 115.11 118.01 2jm5 h GLN 105 Ca -0.00 -0.02 -0.14 0.00 0.06 0.00 0.00 58.65 58.54 2jm5 h GLN 105 Cb 1.06 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 2jm5 h GLN 105 CO 0.06 0.25 -0.42 0.77 -0.67 0.00 0.00 178.83 178.82 2jm5 h SER 106 N 0.39 0.66 -0.26 1.46 0.02 -1.62 -1.45 113.55 112.76 2jm5 h SER 106 Ca 0.20 -0.30 -0.11 0.00 -0.84 0.00 0.00 61.79 60.73 2jm5 h SER 106 Cb 0.15 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 2jm5 h SER 106 CO -0.17 1.00 -0.22 0.03 -1.14 0.00 0.00 176.83 176.33 2jm5 h ARG 107 N 0.51 0.73 0.04 3.45 2.47 -0.89 -0.20 114.38 120.48 2jm5 h ARG 107 Ca 0.04 -0.29 -0.24 0.00 -1.26 0.00 0.00 59.98 58.23 2jm5 h ARG 107 Cb 0.94 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.23 2jm5 h ARG 107 CO 0.09 0.89 -1.02 0.28 0.56 0.00 0.00 179.97 180.76 2jm5 h VAL 108 N 0.64 1.44 -0.73 2.04 2.07 -1.01 -2.53 116.25 118.16 2jm5 h VAL 108 Ca 0.09 -2.63 0.03 0.00 0.82 0.00 0.00 66.70 65.01 2jm5 h VAL 108 Cb 0.72 2.57 -0.05 0.00 -1.52 0.00 0.00 31.29 33.02 2jm5 h VAL 108 CO 0.06 0.78 0.45 0.22 0.02 0.00 0.00 177.57 179.10 2jm5 h TYR 109 N 0.17 0.85 -0.03 1.57 5.03 -0.92 -1.32 116.97 122.32 2jm5 h TYR 109 Ca -0.09 0.02 -0.12 0.00 2.58 0.00 0.00 58.73 61.12 2jm5 h TYR 109 Cb 1.68 -0.28 -0.01 0.00 1.55 0.00 0.00 36.73 39.67 2jm5 h TYR 109 CO 0.06 0.48 -0.55 -0.56 -1.32 0.00 0.00 178.16 176.27 2jm5 h GLN 110 N 0.88 0.10 -0.63 1.82 3.07 -1.02 -1.45 115.11 117.88 2jm5 h GLN 110 Ca 0.30 -0.06 0.01 0.00 0.09 0.00 0.00 58.65 58.99 2jm5 h GLN 110 Cb 0.04 0.01 -0.03 0.00 0.08 0.00 0.00 27.48 27.57 2jm5 h GLN 110 CO -0.12 0.62 0.41 -0.07 0.09 0.00 0.00 178.83 179.77 2jm5 h LEU 111 N 0.08 0.70 -0.43 0.06 3.38 -0.91 -2.50 115.31 115.68 2jm5 h LEU 111 Ca -0.00 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 2jm5 h LEU 111 Cb 0.99 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2jm5 h LEU 111 CO 0.08 0.51 -0.21 0.24 0.09 0.00 0.00 178.44 179.14 2jm5 h MET 112 N 0.84 0.91 0.73 1.13 2.86 -1.04 -3.18 114.93 117.18 2jm5 h MET 112 Ca 0.24 -0.40 -0.03 0.00 -2.06 0.00 0.00 59.70 57.45 2jm5 h MET 112 Cb -0.07 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 2jm5 h MET 112 CO -0.06 1.05 -0.47 1.49 1.06 0.00 0.00 176.91 179.98 2jm5 h GLU 113 N 0.74 -1.09 0.00 1.72 4.81 -1.00 0.23 114.58 119.99 2jm5 h GLU 113 Ca 0.10 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2jm5 h GLU 113 Cb 0.78 0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.41 2jm5 h GLU 113 CO 0.06 -0.73 0.00 0.00 -0.73 0.00 0.00 179.01 177.62 2jm5 n GLN 114 N -5.60 0.16 0.03 1.92 10.64 -0.97 -1.97 117.38 121.59 2jm5 n GLN 114 Ca -0.14 0.52 -0.01 0.00 -1.83 0.00 0.00 57.00 55.54 2jm5 n GLN 114 Cb 0.48 -1.89 -0.00 0.00 -0.86 0.00 0.00 30.24 27.96 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 -2.21 1.17 0.09 2.61 2.03 -1.14 -4.83 116.55 114.28 2jm5 n ASP 115 Ca 0.00 0.16 -0.14 0.00 0.52 0.00 0.00 54.79 55.33 2jm5 n ASP 115 Cb 0.13 -0.38 -0.13 0.00 -0.72 0.00 0.00 41.12 40.02 2jm5 n ASP 115 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2jm5 h SER 116 N -0.12 0.32 -0.48 1.67 0.02 -0.74 -3.30 113.55 110.93 2jm5 h SER 116 Ca 0.00 -0.34 -0.08 0.00 -0.84 0.00 0.00 61.79 60.52 2jm5 h SER 116 Cb 0.12 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 2jm5 h SER 116 CO 0.00 1.27 -0.02 0.22 -1.14 0.00 0.00 176.83 177.16 2jm5 h TYR 117 N 0.06 0.93 -0.18 3.45 3.20 -0.43 0.40 116.97 124.41 2jm5 h TYR 117 Ca -0.10 -0.17 -0.01 0.00 3.14 0.00 0.00 58.73 61.59 2jm5 h TYR 117 Cb 1.92 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.94 2jm5 h TYR 117 CO 0.05 0.90 0.08 1.79 -1.64 0.00 0.00 178.16 179.33 2jm5 h THR 118 N 0.70 1.15 -0.12 1.81 1.35 -1.69 0.12 112.91 116.23 2jm5 h THR 118 Ca 0.13 -0.44 -0.09 0.00 -0.55 0.00 0.00 66.41 65.46 2jm5 h THR 118 Cb 0.54 1.12 -0.01 0.00 -1.73 0.00 0.00 68.15 68.06 2jm5 h THR 118 CO 0.03 0.14 -0.35 0.03 -0.25 0.00 0.00 175.52 175.12 2jm5 h ARG 119 N 0.14 0.24 -0.71 4.72 3.08 -1.60 -1.75 114.38 118.50 2jm5 h ARG 119 Ca 0.06 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 2jm5 h ARG 119 Cb 0.15 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 2jm5 h ARG 119 CO -0.01 0.57 0.26 0.35 -1.07 0.00 0.00 179.97 180.07 2jm5 h PHE 120 N 0.21 1.08 0.00 3.04 3.57 0.25 0.23 116.94 125.32 2jm5 h PHE 120 Ca 0.03 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 2jm5 h PHE 120 Cb 0.72 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 2jm5 h PHE 120 CO 0.01 0.84 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.78 2jm5 h LEU 121 N 1.03 0.00 -2.43 0.59 3.38 -0.08 -0.53 115.31 117.27 2jm5 h LEU 121 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2jm5 h LEU 121 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2jm5 h LEU 121 CO -0.02 0.09 0.00 0.29 0.09 0.00 0.00 178.44 178.89 2jm5 n LYS 122 N -4.10 2.39 -2.34 1.13 4.76 -0.84 -4.62 118.16 114.55 2jm5 n LYS 122 Ca -0.03 -2.17 -0.38 0.00 -2.87 0.00 0.00 58.31 52.87 2jm5 n LYS 122 Cb 0.17 -1.43 -0.02 0.00 -1.84 0.00 0.00 35.03 31.91 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 -1.21 6.51 0.57 4.39 1.04 0.74 -4.86 113.70 120.89 2jm5 s SER 123 Ca 0.34 2.27 0.35 0.00 0.48 0.00 0.00 55.95 59.39 2jm5 s SER 123 Cb 0.19 -2.61 1.70 0.00 0.10 0.00 0.00 66.02 65.41 2jm5 s SER 123 CO 0.26 -0.68 2.13 -2.24 0.98 0.00 0.00 173.24 173.69 2jm5 h ASP 124 N 2.51 0.00 -0.27 7.02 2.03 -1.89 0.15 116.42 125.97 2jm5 h ASP 124 Ca -0.49 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 55.69 2jm5 h ASP 124 Cb 1.23 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.73 2jm5 h ASP 124 CO 0.62 0.05 -0.30 -0.29 -1.03 0.00 0.00 179.24 178.29 2jm5 h ILE 125 N 0.00 1.31 -0.04 4.15 -0.00 -1.90 0.41 117.51 121.43 2jm5 h ILE 125 Ca -0.00 -1.48 -0.23 0.00 -0.00 0.00 0.00 64.86 63.15 2jm5 h ILE 125 Cb 0.31 1.64 0.01 0.00 -0.00 0.00 0.00 36.82 38.77 2jm5 h ILE 125 CO 0.01 0.47 -0.90 0.22 -0.00 0.00 0.00 178.15 177.94 2jm5 h TYR 126 N 0.41 0.79 0.00 2.19 3.20 -1.58 -2.43 116.97 119.55 2jm5 h TYR 126 Ca 0.04 -0.40 -0.03 0.00 3.14 0.00 0.00 58.73 61.48 2jm5 h TYR 126 Cb 0.87 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 39.04 2jm5 h TYR 126 CO 0.08 1.22 -0.13 -0.07 -1.64 0.00 0.00 178.16 177.62 2jm5 h LEU 127 N 0.34 0.00 -0.39 2.82 3.38 -0.71 -0.49 115.31 120.26 2jm5 h LEU 127 Ca -0.08 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.71 2jm5 h LEU 127 Cb 1.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.28 2jm5 h LEU 127 CO 0.17 0.13 -0.69 -0.78 0.09 0.00 0.00 178.44 177.35 2jm5 h ASP 128 N 0.00 0.60 0.31 -0.43 3.58 -0.67 -0.54 116.42 119.26 2jm5 h ASP 128 Ca -0.00 -0.37 -0.07 0.00 0.42 0.00 0.00 57.03 57.00 2jm5 h ASP 128 Cb 0.42 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 2jm5 h ASP 128 CO 0.02 1.12 -0.32 -0.07 -2.88 0.00 0.00 179.24 177.10 2jm5 h LEU 129 N 0.36 0.02 0.49 2.28 3.38 -0.70 -3.18 115.31 117.97 2jm5 h LEU 129 Ca -0.02 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2jm5 h LEU 129 Cb 1.27 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2jm5 h LEU 129 CO 0.13 0.35 -0.24 0.24 0.09 0.00 0.00 178.44 179.01 2jm5 h MET 130 N 0.02 -0.64 0.00 1.13 2.86 -0.87 -3.41 114.93 114.03 2jm5 h MET 130 Ca 0.00 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2jm5 h MET 130 Cb 0.59 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.39 2jm5 h MET 130 CO 0.04 -0.42 0.00 -1.91 1.06 0.00 0.00 176.91 175.68 2jm5 n GLU 131 N -4.85 0.00 0.00 1.72 2.13 -0.24 -1.94 120.64 117.47 2jm5 n GLU 131 Ca -0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.74 2jm5 n GLU 131 Cb 0.26 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.97 2jm5 n GLU 131 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jm5 n GLY 132 N 0.00 0.00 3.66 8.31 0.00 -1.26 -5.05 105.19 110.85 2jm5 n GLY 132 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2jm5 n GLY 132 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jm5 s ARG 133 N 0.00 4.05 0.00 1.61 1.81 -0.82 -5.20 118.95 120.40 2jm5 s ARG 133 Ca 0.00 -0.29 0.29 0.00 -1.72 0.00 0.00 55.73 54.01 2jm5 s ARG 133 Cb 0.00 -3.42 1.21 0.00 -0.45 0.00 0.00 34.95 32.29 2jm5 s ARG 133 CO 0.00 0.15 1.84 -0.35 -0.68 0.00 0.00 175.30 176.26