#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 0.56 -0.06 1.43 0.23 -1.26 -5.09 119.30 115.10 2jm5 s MET 2 Ca 0.00 1.19 -0.02 0.00 -1.03 0.00 0.00 55.69 55.82 2jm5 s MET 2 Cb 0.00 0.35 0.04 0.00 -1.53 0.00 0.00 34.83 33.69 2jm5 s MET 2 CO 0.00 -0.18 0.13 0.54 -2.03 0.00 0.00 175.02 173.48 2jm5 s VAL 3 N 2.10 -0.07 0.24 5.16 0.11 -1.26 -4.94 120.40 121.74 2jm5 s VAL 3 Ca -0.08 0.21 -0.30 0.00 -2.93 0.00 0.00 61.98 58.88 2jm5 s VAL 3 Cb -0.09 -0.22 -0.10 0.00 -1.53 0.00 0.00 36.38 34.44 2jm5 s VAL 3 CO -0.17 0.08 1.46 -0.44 -3.33 0.00 0.00 175.10 172.70 2jm5 s SER 4 N 1.27 6.64 0.41 3.54 0.01 -1.26 -4.83 113.70 119.48 2jm5 s SER 4 Ca -0.08 2.67 0.24 0.00 1.31 0.00 0.00 55.95 60.09 2jm5 s SER 4 Cb -0.12 -2.62 1.26 0.00 0.21 0.00 0.00 66.02 64.75 2jm5 s SER 4 CO -0.05 -0.72 1.69 1.55 0.41 0.00 0.00 173.24 176.12 2jm5 h PRO 5 N 5.15 0.22 -0.02 12.44 0.13 -1.87 0.18 132.00 148.24 2jm5 h PRO 5 Ca -0.46 -0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 64.48 2jm5 h PRO 5 Cb 1.22 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2jm5 h PRO 5 CO 0.79 0.15 -0.79 1.49 -0.23 0.00 0.00 178.00 179.40 2jm5 h GLU 6 N 0.23 0.23 -0.23 0.86 4.81 -1.90 0.23 114.58 118.80 2jm5 h GLU 6 Ca 0.72 -0.22 -0.13 0.00 -0.13 0.00 0.00 59.36 59.60 2jm5 h GLU 6 Cb 2.05 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 31.47 2jm5 h GLU 6 CO -0.38 0.91 -0.41 1.49 -0.73 0.00 0.00 179.01 179.89 2jm5 h GLU 7 N 0.14 0.54 -0.23 1.92 4.57 -1.09 -1.29 114.58 119.15 2jm5 h GLU 7 Ca -0.03 -0.27 -0.09 0.00 -1.18 0.00 0.00 59.36 57.78 2jm5 h GLU 7 Cb 1.38 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.97 2jm5 h GLU 7 CO 0.12 0.85 -0.21 0.00 -1.18 0.00 0.00 179.01 178.59 2jm5 h ALA 8 N 1.11 0.33 0.00 2.92 0.00 -0.74 -2.70 119.26 120.18 2jm5 h ALA 8 Ca 0.04 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 2jm5 h ALA 8 Cb 0.90 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2jm5 h ALA 8 CO 0.08 0.28 -0.17 -0.39 0.00 0.00 0.00 179.25 179.04 2jm5 h VAL 9 N 0.24 0.91 0.00 0.00 -1.51 -0.41 -1.02 116.25 114.46 2jm5 h VAL 9 Ca 0.04 -0.63 -0.01 0.00 -1.23 0.00 0.00 66.70 64.87 2jm5 h VAL 9 Cb 0.76 1.36 -0.00 0.00 -2.13 0.00 0.00 31.29 31.28 2jm5 h VAL 9 CO 0.05 0.17 -0.02 0.50 -1.23 0.00 0.00 177.57 177.04 2jm5 h LYS 10 N 0.00 0.00 0.00 5.19 1.63 -0.98 -1.04 116.57 121.37 2jm5 h LYS 10 Ca -0.00 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.72 2jm5 h LYS 10 Cb 0.35 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.97 2jm5 h LYS 10 CO 0.02 0.02 -0.36 -1.49 -3.45 0.00 0.00 179.45 174.20 2jm5 h TRP 11 N 0.00 0.00 -0.00 1.91 6.55 -0.87 -3.36 115.95 120.18 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 0.54 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.84 2jm5 h TRP 11 CO 0.00 0.36 0.00 0.41 -1.05 0.00 0.00 178.44 178.16 2jm5 n GLY 12 N 0.73 1.94 0.00 1.49 0.00 -0.40 -1.73 105.19 107.23 2jm5 n GLY 12 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.43 0.00 -3.28 1.61 0.28 -1.26 -5.05 120.64 113.38 2jm5 n GLU 13 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 56.95 2jm5 n GLU 13 Cb 0.47 -0.13 -0.05 0.00 1.43 0.00 0.00 31.44 33.16 2jm5 n GLU 13 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2jm5 s SER 14 N 0.00 -0.24 0.49 -1.84 0.01 -0.71 -5.01 113.70 106.40 2jm5 s SER 14 Ca 0.00 0.19 0.17 0.00 1.31 0.00 0.00 55.95 57.62 2jm5 s SER 14 Cb 0.00 1.42 1.22 0.00 0.21 0.00 0.00 66.02 68.87 2jm5 s SER 14 CO 0.00 -0.31 2.08 0.15 0.41 0.00 0.00 173.24 175.58 2jm5 h PHE 15 N 8.12 0.00 -0.69 2.43 3.57 -1.98 -1.87 116.94 126.53 2jm5 h PHE 15 Ca -0.15 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 2jm5 h PHE 15 Cb 1.15 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.86 2jm5 h PHE 15 CO 0.17 0.09 0.38 0.22 -2.23 0.00 0.00 178.31 176.94 2jm5 h ASP 16 N 0.00 0.86 1.69 0.41 3.58 -1.95 -2.12 116.42 118.89 2jm5 h ASP 16 Ca -0.00 -0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.35 2jm5 h ASP 16 Cb 0.17 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.00 2jm5 h ASP 16 CO 0.01 0.71 -0.03 0.07 -2.88 0.00 0.00 179.24 177.12 2jm5 h LYS 17 N 0.95 0.00 0.38 0.28 2.10 -1.70 -0.75 116.57 117.83 2jm5 h LYS 17 Ca 0.24 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.87 2jm5 h LYS 17 Cb 0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 2jm5 h LYS 17 CO -0.04 0.03 -0.18 1.25 -2.00 0.00 0.00 179.45 178.51 2jm5 h LEU 18 N 0.00 -0.43 -0.26 7.07 5.85 -0.95 -2.63 115.31 123.96 2jm5 h LEU 18 Ca -0.00 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.59 2jm5 h LEU 18 Cb 0.88 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 2jm5 h LEU 18 CO 0.00 -0.21 -0.36 -0.07 -0.34 0.00 0.00 178.44 177.46 2jm5 h LEU 19 N -0.64 0.00 -0.90 2.25 -0.00 -1.33 -1.99 115.31 112.71 2jm5 h LEU 19 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 2jm5 h LEU 19 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.12 2jm5 h LEU 19 CO 0.09 0.36 0.00 -1.28 -0.00 0.00 0.00 178.44 177.60 2jm5 h SER 20 N 0.00 0.00 -3.67 -0.43 0.87 -1.11 -3.39 113.55 105.83 2jm5 h SER 20 Ca -0.00 0.00 -0.64 0.00 -1.23 0.00 0.00 61.79 59.91 2jm5 h SER 20 Cb 1.18 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 62.94 2jm5 h SER 20 CO 0.05 0.00 -0.59 -2.28 -0.53 0.00 0.00 176.83 173.48 2jm5 s HIS 21 N -3.41 3.15 0.53 2.24 5.04 -1.00 -4.98 115.29 116.87 2jm5 s HIS 21 Ca 0.04 -0.20 0.21 0.00 -1.54 0.00 0.00 55.06 53.56 2jm5 s HIS 21 Cb 0.09 -2.26 1.43 0.00 0.04 0.00 0.00 32.58 31.89 2jm5 s HIS 21 CO 0.44 -0.23 2.17 0.07 -2.34 0.00 0.00 174.74 174.85 2jm5 h ARG 22 N 8.05 0.00 -0.14 2.88 -0.00 -1.82 0.13 114.38 123.48 2jm5 h ARG 22 Ca -0.37 0.00 -0.08 0.00 -0.00 0.00 0.00 59.98 59.53 2jm5 h ARG 22 Cb 1.18 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.14 2jm5 h ARG 22 CO 0.59 0.02 -0.27 -0.44 -0.00 0.00 0.00 179.97 179.86 2jm5 h ASP 23 N 0.00 0.27 0.29 0.08 3.32 -1.92 -0.53 116.42 117.92 2jm5 h ASP 23 Ca -0.00 -0.08 -0.34 0.00 0.02 0.00 0.00 57.03 56.63 2jm5 h ASP 23 Cb 0.04 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.52 2jm5 h ASP 23 CO 0.00 0.54 -1.67 1.23 -1.72 0.00 0.00 179.24 177.62 2jm5 h GLY 24 N 1.01 0.40 1.37 2.75 0.00 -0.89 0.15 103.07 107.84 2jm5 h GLY 24 Ca 0.04 -1.02 0.04 0.00 0.00 0.00 0.00 47.33 46.39 2jm5 h GLY 24 CO 0.04 0.89 0.34 -2.00 0.00 0.00 0.00 176.54 175.81 2jm5 h LEU 25 N 0.09 0.47 0.00 3.11 6.46 -0.23 0.35 115.31 125.56 2jm5 h LEU 25 Ca -0.31 -0.00 -0.26 0.00 -0.12 0.00 0.00 57.88 57.19 2jm5 h LEU 25 Cb 2.07 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 41.86 2jm5 h LEU 25 CO 0.18 0.32 -1.39 -0.08 -0.62 0.00 0.00 178.44 176.84 2jm5 h GLU 26 N 0.54 0.01 -0.19 1.25 4.22 -1.06 -0.90 114.58 118.45 2jm5 h GLU 26 Ca 0.21 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.62 2jm5 h GLU 26 Cb 0.15 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2jm5 h GLU 26 CO -0.05 0.74 0.05 0.00 -2.18 0.00 0.00 179.01 177.57 2jm5 h ALA 27 N 0.98 0.24 -0.16 2.92 0.00 0.17 -2.48 119.26 120.93 2jm5 h ALA 27 Ca -0.16 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 2jm5 h ALA 27 Cb 1.91 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 2jm5 h ALA 27 CO 0.10 -0.12 -0.43 0.35 0.00 0.00 0.00 179.25 179.15 2jm5 h PHE 28 N 0.12 0.46 -0.37 0.00 3.57 -0.40 -2.65 116.94 117.67 2jm5 h PHE 28 Ca 0.06 -0.13 -0.08 0.00 3.53 0.00 0.00 57.97 61.34 2jm5 h PHE 28 Cb 0.25 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 2jm5 h PHE 28 CO 0.00 0.75 -0.11 0.00 -2.23 0.00 0.00 178.31 176.73 2jm5 h THR 29 N 0.32 1.25 -0.51 4.41 1.03 -1.06 0.33 112.91 118.67 2jm5 h THR 29 Ca 0.03 -1.10 -0.00 0.00 -0.01 0.00 0.00 66.41 65.33 2jm5 h THR 29 Cb 0.89 1.09 -0.02 0.00 -1.07 0.00 0.00 68.15 69.03 2jm5 h THR 29 CO 0.07 0.37 0.31 0.03 -0.01 0.00 0.00 175.52 176.29 2jm5 h ARG 30 N 0.59 0.70 -0.42 0.00 3.08 -1.10 0.32 114.38 117.54 2jm5 h ARG 30 Ca 0.10 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 2jm5 h ARG 30 Cb 0.54 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 2jm5 h ARG 30 CO 0.03 0.50 0.16 0.35 -1.07 0.00 0.00 179.97 179.95 2jm5 h PHE 31 N 0.69 0.65 0.00 3.04 3.57 -1.20 -1.02 116.94 122.68 2jm5 h PHE 31 Ca 0.18 -0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 2jm5 h PHE 31 Cb -0.02 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 2jm5 h PHE 31 CO -0.03 0.58 -0.33 1.25 -2.23 0.00 0.00 178.31 177.54 2jm5 h LEU 32 N 0.54 0.00 -0.02 0.59 5.85 0.35 -1.80 115.31 120.82 2jm5 h LEU 32 Ca 0.14 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.76 2jm5 h LEU 32 Cb 0.21 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.24 2jm5 h LEU 32 CO -0.01 0.33 -0.40 0.11 -0.34 0.00 0.00 178.44 178.14 2jm5 h LYS 33 N 0.00 0.31 0.00 1.25 1.57 -0.17 0.22 116.57 119.75 2jm5 h LYS 33 Ca -0.00 -0.30 -0.05 0.00 -1.87 0.00 0.00 60.65 58.43 2jm5 h LYS 33 Cb 0.81 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 2jm5 h LYS 33 CO 0.04 0.98 -0.22 0.00 -0.57 0.00 0.00 179.45 179.69 2jm5 h THR 34 N -0.25 0.95 0.00 -0.16 1.03 -0.97 -0.65 112.91 112.85 2jm5 h THR 34 Ca -0.04 -0.81 0.00 0.00 -0.01 0.00 0.00 66.41 65.55 2jm5 h THR 34 Cb 1.11 1.46 0.00 0.00 -1.07 0.00 0.00 68.15 69.65 2jm5 h THR 34 CO 0.08 0.21 -0.68 1.21 -0.01 0.00 0.00 175.52 176.33 2jm5 n GLU 35 N -3.98 0.24 -3.19 0.00 4.07 -0.70 -4.99 120.64 112.09 2jm5 n GLU 35 Ca -0.02 0.05 -0.11 0.00 -0.06 0.00 0.00 57.16 57.02 2jm5 n GLU 35 Cb 0.30 -1.63 0.05 0.00 -0.06 0.00 0.00 31.44 30.10 2jm5 n GLU 35 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 2jm5 n PHE 36 N -1.96 -2.61 -2.17 4.31 3.72 -0.25 -4.96 117.46 113.53 2jm5 n PHE 36 Ca 0.03 0.94 -0.00 0.00 -0.05 0.00 0.00 57.45 58.37 2jm5 n PHE 36 Cb 0.42 -4.12 -0.01 0.00 -0.94 0.00 0.00 39.48 34.83 2jm5 n PHE 36 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2jm5 n SER 37 N -2.81 0.11 0.19 4.37 7.64 0.66 -4.95 113.62 118.83 2jm5 n SER 37 Ca -0.05 -1.83 0.14 0.00 1.01 0.00 0.00 58.87 58.14 2jm5 n SER 37 Cb 0.59 -0.08 0.60 0.00 -1.01 0.00 0.00 64.21 64.31 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 0.35 0.00 0.00 1.43 9.09 -1.80 -2.55 114.58 121.09 2jm5 h GLU 38 Ca -0.21 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.20 2jm5 h GLU 38 Cb 1.51 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.61 2jm5 h GLU 38 CO -0.03 0.00 -0.00 1.05 0.05 0.00 0.00 179.01 180.07 2jm5 h GLU 39 N 0.00 0.00 -0.22 1.06 9.09 -1.92 -2.26 114.58 120.33 2jm5 h GLU 39 Ca 0.00 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.28 2jm5 h GLU 39 Cb 0.36 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.46 2jm5 h GLU 39 CO 0.00 0.00 -0.38 -0.91 0.05 0.00 0.00 179.01 177.78 2jm5 h ASN 40 N 0.00 0.71 -0.31 3.06 2.35 -1.80 0.14 115.58 119.72 2jm5 h ASN 40 Ca -0.00 -0.53 -0.16 0.00 -0.55 0.00 0.00 56.30 55.06 2jm5 h ASN 40 Cb 0.42 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 2jm5 h ASN 40 CO 0.00 1.10 -0.40 -0.29 -1.65 0.00 0.00 177.43 176.20 2jm5 h ILE 41 N 0.33 1.28 -0.00 2.81 2.10 -1.62 -2.08 117.51 120.33 2jm5 h ILE 41 Ca 0.01 -1.57 0.00 0.00 1.08 0.00 0.00 64.86 64.38 2jm5 h ILE 41 Cb 0.97 1.42 0.00 0.00 -1.09 0.00 0.00 36.82 38.12 2jm5 h ILE 41 CO 0.09 0.52 -0.05 -0.62 -1.08 0.00 0.00 178.15 177.00 2jm5 n GLU 42 N -4.05 0.57 0.20 2.19 1.02 -0.90 -2.15 120.64 117.53 2jm5 n GLU 42 Ca -0.02 -0.10 -0.12 0.00 -0.02 0.00 0.00 57.16 56.90 2jm5 n GLU 42 Cb 0.54 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.40 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 0.24 -0.51 0.00 -0.32 3.04 0.00 -0.75 116.94 118.65 2jm5 h PHE 43 Ca 0.00 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.94 2jm5 h PHE 43 Cb 0.30 0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.98 2jm5 h PHE 43 CO 0.00 -0.20 0.00 -2.67 -2.02 0.00 0.00 178.31 173.42 2jm5 n TRP 44 N -5.16 0.94 0.17 0.41 4.27 -1.13 -1.62 117.44 115.32 2jm5 n TRP 44 Ca -0.09 0.30 0.01 0.00 -3.89 0.00 0.00 57.50 53.83 2jm5 n TRP 44 Cb 0.28 -0.98 0.28 0.00 -1.36 0.00 0.00 31.31 29.53 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 1.31 -0.03 -1.67 2.04 -1.45 -1.10 117.51 116.60 2jm5 h ILE 45 Ca 0.00 -1.65 -0.18 0.00 1.00 0.00 0.00 64.86 64.03 2jm5 h ILE 45 Cb 0.66 1.90 0.01 0.00 -0.74 0.00 0.00 36.82 38.65 2jm5 h ILE 45 CO 0.00 0.47 -0.67 0.00 0.00 0.00 0.00 178.15 177.95 2jm5 h ALA 46 N 1.52 0.13 0.00 1.87 0.00 -0.14 -2.68 119.26 119.96 2jm5 h ALA 46 Ca -0.00 -0.58 -0.09 0.00 0.00 0.00 0.00 54.91 54.24 2jm5 h ALA 46 Cb 0.86 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2jm5 h ALA 46 CO 0.06 0.44 -0.43 0.00 0.00 0.00 0.00 179.25 179.32 2jm5 h GLU 48 N 0.00 0.62 -0.50 0.00 4.11 -1.26 0.15 114.58 117.70 2jm5 h GLU 48 Ca -0.00 -0.38 -0.08 0.00 0.07 0.00 0.00 59.36 58.97 2jm5 h GLU 48 Cb 0.94 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 2jm5 h GLU 48 CO 0.06 1.00 0.00 0.22 0.07 0.00 0.00 179.01 180.36 2jm5 h ASP 49 N 0.48 0.80 0.03 3.06 3.58 -1.07 -0.03 116.42 123.26 2jm5 h ASP 49 Ca 0.01 -0.20 -0.00 0.00 0.42 0.00 0.00 57.03 57.26 2jm5 h ASP 49 Cb 1.09 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.93 2jm5 h ASP 49 CO 0.10 0.87 -0.01 0.15 -2.88 0.00 0.00 179.24 177.47 2jm5 h PHE 50 N 0.78 -0.03 0.00 0.28 3.57 -0.31 -2.41 116.94 118.81 2jm5 h PHE 50 Ca 0.15 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.65 2jm5 h PHE 50 Cb 0.46 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.21 2jm5 h PHE 50 CO 0.03 0.13 0.00 0.36 -2.23 0.00 0.00 178.31 176.59 2jm5 n LYS 51 N -5.03 0.16 0.13 1.11 -0.00 0.51 -1.63 118.16 113.41 2jm5 n LYS 51 Ca -0.08 0.07 0.12 0.00 -0.00 0.00 0.00 58.31 58.42 2jm5 n LYS 51 Cb 0.11 -1.50 0.26 0.00 -0.00 0.00 0.00 35.03 33.90 2jm5 n LYS 51 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2jm5 h LYS 52 N 0.00 0.00 -6.84 -1.58 3.64 -0.60 -3.45 116.57 107.74 2jm5 h LYS 52 Ca 0.00 0.00 -0.48 0.00 -1.27 0.00 0.00 60.65 58.90 2jm5 h LYS 52 Cb 0.34 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 2jm5 h LYS 52 CO 0.00 0.00 0.35 -1.12 -2.27 0.00 0.00 179.45 176.41 2jm5 s SER 53 N -5.07 7.41 0.00 4.20 0.01 -0.64 -4.94 113.70 114.66 2jm5 s SER 53 Ca 0.08 1.89 0.00 0.00 1.31 0.00 0.00 55.95 59.23 2jm5 s SER 53 Cb 0.10 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.74 2jm5 s SER 53 CO 0.66 -0.02 0.38 2.29 0.41 0.00 0.00 173.24 176.96 2jm5 n LYS 54 N 0.85 -0.67 -3.52 12.44 -0.00 -1.26 -4.98 118.16 121.01 2jm5 n LYS 54 Ca 0.01 -0.39 -0.40 0.00 -0.00 0.00 0.00 58.31 57.54 2jm5 n LYS 54 Cb 0.49 -0.87 -0.10 0.00 -0.00 0.00 0.00 35.03 34.55 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 -0.02 1.94 0.43 2.58 0.00 -1.26 -4.96 107.32 106.03 2jm5 s GLY 55 Ca 0.00 -1.23 0.13 0.00 0.00 0.00 0.00 44.72 43.62 2jm5 s GLY 55 CO 0.00 0.78 1.99 -2.55 0.00 0.00 0.00 173.10 173.32 2jm5 h PRO 56 N 8.43 0.43 -0.44 2.90 0.11 -2.00 -0.34 132.00 141.10 2jm5 h PRO 56 Ca -0.32 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.71 2jm5 h PRO 56 Cb 1.17 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 2jm5 h PRO 56 CO 0.62 0.29 0.04 1.96 -0.21 0.00 0.00 178.00 180.70 2jm5 h GLN 57 N 0.45 0.68 -0.35 1.05 4.20 -2.02 -2.15 115.11 116.97 2jm5 h GLN 57 Ca 0.27 -0.15 -0.13 0.00 0.06 0.00 0.00 58.65 58.70 2jm5 h GLN 57 Cb 0.46 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2jm5 h GLN 57 CO -0.08 0.67 -0.28 0.37 -0.67 0.00 0.00 178.83 178.84 2jm5 h GLN 58 N 0.65 0.81 -0.16 1.46 5.75 -1.51 -3.26 115.11 118.84 2jm5 h GLN 58 Ca 0.14 -0.40 0.05 0.00 -0.15 0.00 0.00 58.65 58.29 2jm5 h GLN 58 Cb 0.34 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.84 2jm5 h GLN 58 CO 0.01 1.03 -0.24 0.82 -2.65 0.00 0.00 178.83 177.80 2jm5 h ILE 59 N 0.59 0.41 -0.88 2.39 1.08 -0.67 0.41 117.51 120.83 2jm5 h ILE 59 Ca 0.06 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.59 2jm5 h ILE 59 Cb 0.86 0.41 -0.06 0.00 -3.07 0.00 0.00 36.82 34.96 2jm5 h ILE 59 CO 0.07 0.00 0.56 0.45 -0.69 0.00 0.00 178.15 178.54 2jm5 h HIS 60 N -0.29 1.03 0.13 1.37 3.86 -1.57 0.29 115.15 119.97 2jm5 h HIS 60 Ca 0.11 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.34 2jm5 h HIS 60 Cb 0.46 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.59 2jm5 h HIS 60 CO -0.36 0.55 -0.06 -0.07 0.86 0.00 0.00 177.93 178.85 2jm5 h LEU 61 N 1.03 -0.14 -0.80 2.43 3.38 -1.45 -2.71 115.31 117.05 2jm5 h LEU 61 Ca 0.37 -0.30 0.07 0.00 0.09 0.00 0.00 57.88 58.11 2jm5 h LEU 61 Cb 0.12 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 2jm5 h LEU 61 CO -0.16 0.45 0.47 0.50 0.09 0.00 0.00 178.44 179.80 2jm5 h LYS 62 N -0.97 0.81 0.07 1.13 3.64 -0.12 0.13 116.57 121.26 2jm5 h LYS 62 Ca -0.02 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2jm5 h LYS 62 Cb 0.44 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2jm5 h LYS 62 CO 0.03 0.53 -0.03 0.00 -2.27 0.00 0.00 179.45 177.71 2jm5 h ALA 63 N 1.41 -0.10 -0.08 5.00 0.00 -0.53 -0.79 119.26 124.18 2jm5 h ALA 63 Ca 0.37 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 2jm5 h ALA 63 Cb 0.25 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2jm5 h ALA 63 CO -0.20 -0.49 -0.18 -0.22 0.00 0.00 0.00 179.25 178.16 2jm5 h LYS 64 N -0.23 0.12 0.30 0.00 3.64 -1.11 0.40 116.57 119.69 2jm5 h LYS 64 Ca -0.01 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2jm5 h LYS 64 Cb 0.20 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2jm5 h LYS 64 CO 0.02 0.31 -0.14 0.00 -2.27 0.00 0.00 179.45 177.36 2jm5 h ALA 65 N 1.70 -0.40 -0.60 5.00 0.00 -0.48 -0.75 119.26 123.73 2jm5 h ALA 65 Ca 0.02 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2jm5 h ALA 65 Cb 0.40 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2jm5 h ALA 65 CO 0.03 -0.63 0.15 0.82 0.00 0.00 0.00 179.25 179.62 2jm5 h ILE 66 N -0.59 1.24 0.59 0.00 2.04 -0.63 -1.96 117.51 118.21 2jm5 h ILE 66 Ca -0.04 -0.86 -0.02 0.00 1.00 0.00 0.00 64.86 64.93 2jm5 h ILE 66 Cb 0.43 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 2jm5 h ILE 66 CO 0.07 0.33 -0.46 0.22 0.00 0.00 0.00 178.15 178.30 2jm5 h TYR 67 N 0.90 -1.27 0.00 1.37 3.20 -0.12 -0.42 116.97 120.64 2jm5 h TYR 67 Ca 0.19 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.06 2jm5 h TYR 67 Cb 0.31 0.47 0.00 0.00 1.54 0.00 0.00 36.73 39.06 2jm5 h TYR 67 CO 0.02 -0.65 0.00 0.93 -1.64 0.00 0.00 178.16 176.82 2jm5 h GLU 68 N -1.02 0.00 0.00 1.82 5.08 -1.04 0.17 114.58 119.58 2jm5 h GLU 68 Ca -0.08 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.15 2jm5 h GLU 68 Cb 0.85 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 2jm5 h GLU 68 CO 0.01 0.00 -1.25 -0.22 -1.00 0.00 0.00 179.01 176.55 2jm5 h LYS 69 N 0.00 0.00 0.00 2.33 3.64 -1.22 -3.36 116.57 117.96 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 0.55 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2jm5 h LYS 69 CO 0.00 0.25 -0.02 1.19 -2.27 0.00 0.00 179.45 178.60 2jm5 n PHE 70 N -2.88 -1.96 0.28 1.91 3.72 -0.18 -2.69 117.46 115.67 2jm5 n PHE 70 Ca -0.07 0.35 0.13 0.00 -0.05 0.00 0.00 57.45 57.81 2jm5 n PHE 70 Cb 0.77 0.48 0.80 0.00 -0.94 0.00 0.00 39.48 40.59 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 0.61 -3.96 4.37 1.08 -0.69 -3.03 117.51 115.89 2jm5 h ILE 71 Ca 0.00 -0.26 -0.51 0.00 -0.39 0.00 0.00 64.86 63.70 2jm5 h ILE 71 Cb 0.02 1.16 0.06 0.00 -3.07 0.00 0.00 36.82 34.99 2jm5 h ILE 71 CO 0.00 0.06 0.51 -1.10 -0.69 0.00 0.00 178.15 176.93 2jm5 s GLN 72 N -4.48 3.95 0.00 2.37 -1.52 -0.02 -4.91 119.66 115.06 2jm5 s GLN 72 Ca -0.04 1.85 -0.25 0.00 -1.95 0.00 0.00 55.36 54.97 2jm5 s GLN 72 Cb 0.14 -2.60 -0.19 0.00 -0.22 0.00 0.00 33.01 30.15 2jm5 s GLN 72 CO 0.58 -0.41 1.36 1.15 -0.25 0.00 0.00 175.29 177.71 2jm5 h THR 73 N 2.20 1.32 -3.53 -0.19 2.02 -1.92 -3.31 112.91 109.50 2jm5 h THR 73 Ca -0.49 -0.95 -0.79 0.00 0.77 0.00 0.00 66.41 64.95 2jm5 h THR 73 Cb 1.24 1.94 -0.26 0.00 -1.74 0.00 0.00 68.15 69.32 2jm5 h THR 73 CO 0.62 0.25 0.39 -0.62 0.37 0.00 0.00 175.52 176.53 2jm5 s ASP 74 N -5.63 7.06 0.23 4.18 2.15 -1.26 -4.85 116.67 118.55 2jm5 s ASP 74 Ca -0.15 -3.14 0.09 0.00 0.43 0.00 0.00 52.55 49.78 2jm5 s ASP 74 Cb 0.03 -2.23 -0.05 0.00 -0.30 0.00 0.00 42.92 40.37 2jm5 s ASP 74 CO 0.68 -0.46 -0.17 0.00 -0.17 0.00 0.00 175.17 175.05 2jm5 s ALA 75 N -0.36 2.29 0.45 3.66 0.00 -1.24 -5.01 121.76 121.55 2jm5 s ALA 75 Ca 0.27 -1.73 0.38 0.00 0.00 0.00 0.00 51.96 50.87 2jm5 s ALA 75 Cb -0.09 -0.16 1.91 0.00 0.00 0.00 0.00 23.12 24.78 2jm5 s ALA 75 CO -0.08 0.16 2.20 -1.00 0.00 0.00 0.00 175.76 177.04 2jm5 h PRO 76 N 2.50 0.00 0.00 0.00 0.13 -1.72 -3.33 132.00 129.58 2jm5 h PRO 76 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2jm5 h PRO 76 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2jm5 h PRO 76 CO 0.60 0.02 -0.88 1.63 -0.23 0.00 0.00 178.00 179.15 2jm5 n LYS 77 N -3.22 0.85 -0.69 0.86 5.02 -1.09 -5.11 118.16 114.78 2jm5 n LYS 77 Ca -0.02 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.34 2jm5 n LYS 77 Cb 0.17 -0.94 -0.04 0.00 -0.02 0.00 0.00 35.03 34.21 2jm5 n LYS 77 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2jm5 n GLU 78 N -2.24 -1.64 -4.01 1.97 1.02 -1.19 -5.03 120.64 109.52 2jm5 n GLU 78 Ca 0.00 1.33 -0.11 0.00 -0.02 0.00 0.00 57.16 58.36 2jm5 n GLU 78 Cb 0.44 -1.84 -0.12 0.00 -0.02 0.00 0.00 31.44 29.90 2jm5 n GLU 78 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2jm5 s VAL 79 N -3.82 0.25 -0.31 2.62 1.01 -1.14 -4.87 120.40 114.14 2jm5 s VAL 79 Ca 0.00 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.19 2jm5 s VAL 79 Cb 0.00 -0.35 0.22 0.00 0.00 0.00 0.00 36.38 36.25 2jm5 s VAL 79 CO 0.00 -0.36 1.17 0.59 0.00 0.00 0.00 175.10 176.50 2jm5 n ASN 80 N 1.83 3.02 -4.76 3.32 3.02 -1.26 -4.93 115.26 115.50 2jm5 n ASN 80 Ca -0.21 -2.44 -0.37 0.00 -0.03 0.00 0.00 54.58 51.53 2jm5 n ASN 80 Cb 0.56 -0.59 0.01 0.00 -0.61 0.00 0.00 39.78 39.15 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 3.85 0.12 3.41 2.96 -1.26 -4.94 118.68 121.85 2jm5 s LEU 81 Ca 0.17 2.40 -0.36 0.00 -0.22 0.00 0.00 54.13 56.13 2jm5 s LEU 81 Cb 0.14 -4.39 -0.16 0.00 0.50 0.00 0.00 46.19 42.28 2jm5 s LEU 81 CO 0.04 -1.27 1.39 -0.67 -1.32 0.00 0.00 176.35 174.52 2jm5 n ASP 82 N -1.00 2.04 -0.15 3.68 2.03 -1.26 -4.87 116.55 117.02 2jm5 n ASP 82 Ca 0.10 1.11 -0.05 0.00 0.52 0.00 0.00 54.79 56.47 2jm5 n ASP 82 Cb 0.48 -1.26 0.03 0.00 -0.72 0.00 0.00 41.12 39.65 2jm5 n ASP 82 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 2jm5 h PHE 83 N 4.84 0.44 -0.11 -0.67 0.04 -1.99 -1.44 116.94 118.05 2jm5 h PHE 83 Ca -0.47 0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.21 2jm5 h PHE 83 Cb 1.31 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 39.32 2jm5 h PHE 83 CO 0.60 0.23 -0.42 1.25 -0.60 0.00 0.00 178.31 179.37 2jm5 h HIS 84 N 0.47 0.29 -0.16 -0.55 2.76 -1.98 0.66 115.15 116.63 2jm5 h HIS 84 Ca 0.20 -0.08 -0.01 0.00 -2.20 0.00 0.00 60.37 58.27 2jm5 h HIS 84 Cb 0.09 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 2jm5 h HIS 84 CO -0.10 0.63 0.05 1.15 -1.30 0.00 0.00 177.93 178.37 2jm5 h THR 85 N 0.20 1.18 -0.56 6.26 2.02 -1.81 -1.01 112.91 119.20 2jm5 h THR 85 Ca 0.02 -0.55 0.03 0.00 0.77 0.00 0.00 66.41 66.67 2jm5 h THR 85 Cb 0.83 1.25 -0.04 0.00 -1.74 0.00 0.00 68.15 68.45 2jm5 h THR 85 CO 0.07 0.17 0.34 0.11 0.37 0.00 0.00 175.52 176.57 2jm5 h LYS 86 N 0.08 0.64 -0.49 6.66 1.57 -0.80 -2.48 116.57 121.75 2jm5 h LYS 86 Ca 0.05 -0.04 0.09 0.00 -1.87 0.00 0.00 60.65 58.89 2jm5 h LYS 86 Cb 0.22 -0.14 -0.08 0.00 0.08 0.00 0.00 32.23 32.30 2jm5 h LYS 86 CO -0.00 0.42 -0.01 1.49 -0.57 0.00 0.00 179.45 180.78 2jm5 h GLU 87 N 0.66 0.10 -0.62 3.15 4.81 -0.59 0.46 114.58 122.55 2jm5 h GLU 87 Ca 0.23 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.39 2jm5 h GLU 87 Cb 0.04 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 2jm5 h GLU 87 CO -0.11 0.07 0.15 0.28 -0.73 0.00 0.00 179.01 178.67 2jm5 h VAL 88 N 0.10 1.24 -0.40 0.32 2.07 -0.85 -1.96 116.25 116.79 2jm5 h VAL 88 Ca 0.25 -0.89 -0.11 0.00 0.82 0.00 0.00 66.70 66.77 2jm5 h VAL 88 Cb 0.37 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 2jm5 h VAL 88 CO -0.42 0.34 -0.17 0.40 0.02 0.00 0.00 177.57 177.74 2jm5 h ILE 89 N 0.93 1.28 0.00 4.57 2.04 -0.74 -0.43 117.51 125.15 2jm5 h ILE 89 Ca 0.20 -1.30 -0.01 0.00 1.00 0.00 0.00 64.86 64.75 2jm5 h ILE 89 Cb 0.33 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 2jm5 h ILE 89 CO -0.00 0.43 -0.05 0.71 0.00 0.00 0.00 178.15 179.24 2jm5 h THR 90 N 0.63 0.60 0.00 -0.27 1.35 0.37 0.21 112.91 115.79 2jm5 h THR 90 Ca 0.09 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 2jm5 h THR 90 Cb 0.72 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 2jm5 h THR 90 CO 0.05 0.05 -1.31 0.59 -0.25 0.00 0.00 175.52 174.66 2jm5 n ASN 91 N -3.84 0.52 -0.12 5.36 3.02 -0.78 -4.32 115.26 115.09 2jm5 n ASN 91 Ca -0.03 -0.27 0.04 0.00 -0.03 0.00 0.00 54.58 54.29 2jm5 n ASN 91 Cb 0.14 1.17 0.07 0.00 -0.61 0.00 0.00 39.78 40.55 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 -2.00 2.28 0.13 6.41 7.64 -0.20 -4.52 113.62 123.36 2jm5 n SER 92 Ca 0.00 -2.39 0.13 0.00 1.01 0.00 0.00 58.87 57.62 2jm5 n SER 92 Cb 0.46 -0.18 0.28 0.00 -1.01 0.00 0.00 64.21 63.76 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 0.27 0.00 -0.97 0.44 6.09 -0.83 -3.08 117.51 119.42 2jm5 h ILE 93 Ca 0.00 -0.66 0.10 0.00 -1.37 0.00 0.00 64.86 62.93 2jm5 h ILE 93 Cb 0.72 1.58 -0.08 0.00 0.47 0.00 0.00 36.82 39.51 2jm5 h ILE 93 CO 0.01 0.00 0.61 0.00 -3.07 0.00 0.00 178.15 175.70 2jm5 h THR 94 N 0.00 0.96 -2.38 2.19 1.03 -1.84 -3.36 112.91 109.52 2jm5 h THR 94 Ca 0.00 -0.35 -0.57 0.00 -0.01 0.00 0.00 66.41 65.49 2jm5 h THR 94 Cb 0.83 -0.14 -0.37 0.00 -1.07 0.00 0.00 68.15 67.40 2jm5 h THR 94 CO 0.00 0.18 -0.92 -1.10 -0.01 0.00 0.00 175.52 173.68 2jm5 s GLN 95 N -5.99 0.78 0.76 0.00 -1.52 -1.17 -5.10 119.66 107.42 2jm5 s GLN 95 Ca -0.12 -1.79 -0.11 0.00 -1.95 0.00 0.00 55.36 51.39 2jm5 s GLN 95 Cb 0.21 -1.31 0.05 0.00 -0.22 0.00 0.00 33.01 31.74 2jm5 s GLN 95 CO 0.81 -1.32 1.08 -1.25 -0.25 0.00 0.00 175.29 174.35 2jm5 s PRO 96 N 0.45 2.36 0.20 2.91 0.04 -1.21 -4.96 135.00 134.78 2jm5 s PRO 96 Ca 0.28 0.98 0.02 0.00 0.04 0.00 0.00 61.00 62.32 2jm5 s PRO 96 Cb -0.05 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 2jm5 s PRO 96 CO -0.12 -1.52 0.08 2.41 0.04 0.00 0.00 177.00 177.89 2jm5 n THR 97 N -3.41 0.00 0.22 1.26 -1.04 -1.26 -4.85 114.28 105.20 2jm5 n THR 97 Ca 0.08 -1.18 0.08 0.00 -2.04 0.00 0.00 64.05 60.99 2jm5 n THR 97 Cb 0.54 0.44 0.53 0.00 -1.82 0.00 0.00 70.33 70.02 2jm5 n THR 97 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2jm5 h LEU 98 N 0.00 0.00 -3.92 -4.42 -0.00 -1.94 -3.07 115.31 101.96 2jm5 h LEU 98 Ca -0.15 0.00 -0.52 0.00 -0.00 0.00 0.00 57.88 57.21 2jm5 h LEU 98 Cb 0.60 0.00 -0.43 0.00 -0.00 0.00 0.00 40.66 40.83 2jm5 h LEU 98 CO 0.24 0.24 -0.85 1.41 -0.00 0.00 0.00 178.44 179.48 2jm5 n HIS 99 N -3.81 2.60 0.26 1.13 8.25 -1.26 -3.73 115.22 118.65 2jm5 n HIS 99 Ca -0.02 -2.22 0.16 0.00 -0.26 0.00 0.00 57.72 55.39 2jm5 n HIS 99 Cb 0.33 -0.33 0.89 0.00 1.12 0.00 0.00 29.99 32.00 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 2.22 0.00 -0.22 0.41 0.02 -1.94 -1.05 113.55 112.99 2jm5 h SER 100 Ca 0.32 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.21 2jm5 h SER 100 Cb 1.51 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 64.02 2jm5 h SER 100 CO 0.70 0.00 -0.06 0.49 -1.14 0.00 0.00 176.83 176.82 2jm5 n PHE 101 N -3.78 0.73 -0.11 3.45 3.72 -1.26 -4.73 117.46 115.47 2jm5 n PHE 101 Ca -0.01 -1.19 -0.11 0.00 -0.05 0.00 0.00 57.45 56.09 2jm5 n PHE 101 Cb 0.20 -0.34 -0.03 0.00 -0.94 0.00 0.00 39.48 38.37 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 1.10 0.53 0.07 4.37 3.58 -1.55 0.32 116.42 124.84 2jm5 h ASP 102 Ca 0.07 -0.28 -0.16 0.00 0.42 0.00 0.00 57.03 57.09 2jm5 h ASP 102 Cb 1.39 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 42.29 2jm5 h ASP 102 CO 0.22 0.68 -0.54 0.00 -2.88 0.00 0.00 179.24 176.71 2jm5 h ALA 103 N 0.87 0.74 -0.50 -0.78 0.00 -1.85 -2.91 119.26 114.82 2jm5 h ALA 103 Ca 0.09 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 2jm5 h ALA 103 Cb 0.39 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2jm5 h ALA 103 CO 0.01 0.69 0.09 0.00 0.00 0.00 0.00 179.25 180.04 2jm5 h ALA 104 N 1.02 1.22 -0.05 0.00 0.00 -1.80 -0.96 119.26 118.68 2jm5 h ALA 104 Ca 0.01 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.74 2jm5 h ALA 104 Cb 1.07 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 2jm5 h ALA 104 CO 0.10 0.53 -0.21 0.37 0.00 0.00 0.00 179.25 180.05 2jm5 h GLN 105 N 0.75 -0.29 -0.83 0.00 4.15 -0.74 -0.56 115.11 117.59 2jm5 h GLN 105 Ca 0.16 0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.61 2jm5 h GLN 105 Cb 0.33 0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.04 2jm5 h GLN 105 CO 0.00 -0.19 0.55 1.03 -1.93 0.00 0.00 178.83 178.29 2jm5 h SER 106 N -0.30 0.95 -0.38 -0.69 0.87 -1.38 -0.95 113.55 111.66 2jm5 h SER 106 Ca 0.07 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2jm5 h SER 106 Cb 0.41 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 2jm5 h SER 106 CO -0.22 0.69 0.24 0.03 -0.53 0.00 0.00 176.83 177.03 2jm5 h ARG 107 N 1.12 0.51 -0.23 2.24 2.47 -0.63 -0.71 114.38 119.15 2jm5 h ARG 107 Ca 0.30 -0.04 -0.17 0.00 -1.26 0.00 0.00 59.98 58.81 2jm5 h ARG 107 Cb -0.13 -0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.08 2jm5 h ARG 107 CO -0.07 0.36 -0.55 0.28 0.56 0.00 0.00 179.97 180.56 2jm5 h VAL 108 N 0.51 1.30 0.21 2.04 2.07 -0.87 -1.34 116.25 120.17 2jm5 h VAL 108 Ca 0.14 -1.77 0.00 0.00 0.82 0.00 0.00 66.70 65.89 2jm5 h VAL 108 Cb -0.03 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 2jm5 h VAL 108 CO -0.03 0.56 -0.21 0.22 0.02 0.00 0.00 177.57 178.14 2jm5 h TYR 109 N 0.54 -0.55 -0.26 1.57 3.20 -0.86 -1.70 116.97 118.91 2jm5 h TYR 109 Ca 0.01 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.81 2jm5 h TYR 109 Cb 1.13 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.60 2jm5 h TYR 109 CO 0.06 -0.31 -0.17 -0.56 -1.64 0.00 0.00 178.16 175.53 2jm5 h GLN 110 N -0.45 0.46 0.51 1.82 -0.00 -1.12 -1.51 115.11 114.82 2jm5 h GLN 110 Ca -0.00 -0.15 -0.02 0.00 -0.00 0.00 0.00 58.65 58.48 2jm5 h GLN 110 Cb 0.42 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.48 27.85 2jm5 h GLN 110 CO -0.05 0.62 -0.38 1.25 -0.00 0.00 0.00 178.83 180.27 2jm5 h LEU 111 N 0.42 -1.00 -0.04 0.06 5.85 -0.94 -2.50 115.31 117.17 2jm5 h LEU 111 Ca 0.07 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2jm5 h LEU 111 Cb 0.55 0.31 0.00 0.00 0.37 0.00 0.00 40.66 41.88 2jm5 h LEU 111 CO 0.04 -0.55 -0.12 1.15 -0.34 0.00 0.00 178.44 178.62 2jm5 n MET 112 N -4.75 0.18 0.25 1.25 0.00 -0.67 -3.51 117.12 109.87 2jm5 n MET 112 Ca -0.10 -0.04 -0.10 0.00 0.00 0.00 0.00 57.70 57.45 2jm5 n MET 112 Cb 0.37 -1.50 -0.05 0.00 0.00 0.00 0.00 33.22 32.04 2jm5 n MET 112 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 2jm5 h GLU 113 N 0.10 -0.63 0.00 3.17 4.81 -1.07 0.12 114.58 121.08 2jm5 h GLU 113 Ca 0.00 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2jm5 h GLU 113 Cb 0.45 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.97 2jm5 h GLU 113 CO 0.00 -0.42 0.00 -0.56 -0.73 0.00 0.00 179.01 177.30 2jm5 h GLN 114 N -0.78 0.00 0.00 1.92 3.07 -1.53 -2.48 115.11 115.31 2jm5 h GLN 114 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.67 2jm5 h GLN 114 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.06 2jm5 h GLN 114 CO 0.11 0.00 0.00 -0.25 0.09 0.00 0.00 178.83 178.78 2jm5 n ASP 115 N -2.42 0.00 0.20 0.06 8.00 -1.22 -4.76 116.55 116.40 2jm5 n ASP 115 Ca -0.01 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.54 2jm5 n ASP 115 Cb 0.10 -0.03 0.51 0.00 -0.02 0.00 0.00 41.12 41.68 2jm5 n ASP 115 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2jm5 h SER 116 N 0.00 0.07 -0.30 -2.24 0.02 -0.96 -2.55 113.55 107.60 2jm5 h SER 116 Ca 0.00 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 2jm5 h SER 116 Cb 0.00 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 2jm5 h SER 116 CO 0.00 0.19 -0.05 0.22 -1.14 0.00 0.00 176.83 176.05 2jm5 h TYR 117 N 0.08 0.72 -0.18 3.45 3.20 -0.62 0.28 116.97 123.90 2jm5 h TYR 117 Ca 0.02 -0.10 -0.04 0.00 3.14 0.00 0.00 58.73 61.74 2jm5 h TYR 117 Cb 0.23 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 2jm5 h TYR 117 CO 0.00 0.71 -0.05 1.79 -1.64 0.00 0.00 178.16 178.97 2jm5 h THR 118 N 0.63 1.29 -0.86 1.81 1.35 -1.55 -0.18 112.91 115.40 2jm5 h THR 118 Ca 0.12 -1.02 -0.01 0.00 -0.55 0.00 0.00 66.41 64.95 2jm5 h THR 118 Cb 0.46 1.60 -0.04 0.00 -1.73 0.00 0.00 68.15 68.44 2jm5 h THR 118 CO 0.02 0.31 0.51 0.03 -0.25 0.00 0.00 175.52 176.14 2jm5 h ARG 119 N 0.05 1.17 -0.57 4.72 2.47 -1.49 -1.85 114.38 118.89 2jm5 h ARG 119 Ca 0.04 -0.11 0.05 0.00 -1.26 0.00 0.00 59.98 58.71 2jm5 h ARG 119 Cb 0.49 -0.24 -0.05 0.00 -1.65 0.00 0.00 29.97 28.52 2jm5 h ARG 119 CO 0.02 0.83 0.29 0.35 0.56 0.00 0.00 179.97 182.02 2jm5 h PHE 120 N 1.18 0.54 0.00 3.04 3.57 -0.18 0.25 116.94 125.34 2jm5 h PHE 120 Ca 0.31 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.82 2jm5 h PHE 120 Cb -0.04 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.54 2jm5 h PHE 120 CO -0.00 0.26 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.22 2jm5 h LEU 121 N 0.56 0.00 -2.79 0.59 3.38 -0.20 -0.60 115.31 116.25 2jm5 h LEU 121 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2jm5 h LEU 121 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2jm5 h LEU 121 CO -0.17 0.05 0.00 1.17 0.09 0.00 0.00 178.44 179.57 2jm5 n LYS 122 N -3.97 2.75 -1.83 1.13 3.00 -0.53 -4.52 118.16 114.18 2jm5 n LYS 122 Ca -0.03 -2.21 -0.31 0.00 -0.00 0.00 0.00 58.31 55.77 2jm5 n LYS 122 Cb 0.14 -1.36 0.03 0.00 0.00 0.00 0.00 35.03 33.84 2jm5 n LYS 122 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2jm5 s SER 123 N -1.01 5.72 0.49 3.14 1.04 0.78 -4.89 113.70 118.97 2jm5 s SER 123 Ca 0.31 1.30 0.25 0.00 0.48 0.00 0.00 55.95 58.29 2jm5 s SER 123 Cb 0.16 -2.21 1.26 0.00 0.10 0.00 0.00 66.02 65.33 2jm5 s SER 123 CO 0.21 -1.18 2.00 -2.24 0.98 0.00 0.00 173.24 173.01 2jm5 h ASP 124 N -0.54 0.00 -0.06 7.02 3.04 -1.89 -0.57 116.42 123.41 2jm5 h ASP 124 Ca -0.45 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.31 2jm5 h ASP 124 Cb 1.22 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.51 2jm5 h ASP 124 CO 0.62 0.17 -0.10 -0.29 -2.04 0.00 0.00 179.24 177.60 2jm5 h ILE 125 N 0.00 1.41 -0.12 4.15 6.09 -1.93 -1.02 117.51 126.09 2jm5 h ILE 125 Ca -0.00 -1.37 -0.17 0.00 -1.37 0.00 0.00 64.86 61.95 2jm5 h ILE 125 Cb 0.45 2.19 -0.01 0.00 0.47 0.00 0.00 36.82 39.92 2jm5 h ILE 125 CO 0.02 0.38 -0.63 0.22 -3.07 0.00 0.00 178.15 175.07 2jm5 h TYR 126 N -0.32 0.57 -0.12 2.19 3.20 -1.66 -2.46 116.97 118.36 2jm5 h TYR 126 Ca 0.00 -0.22 -0.08 0.00 3.14 0.00 0.00 58.73 61.57 2jm5 h TYR 126 Cb 0.66 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 2jm5 h TYR 126 CO 0.11 0.95 -0.27 -0.07 -1.64 0.00 0.00 178.16 177.24 2jm5 h LEU 127 N 0.32 0.22 -0.96 2.82 3.38 -1.14 -1.27 115.31 118.69 2jm5 h LEU 127 Ca -0.01 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 2jm5 h LEU 127 Cb 1.18 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2jm5 h LEU 127 CO 0.11 0.50 -0.28 -0.78 0.09 0.00 0.00 178.44 178.08 2jm5 h ASP 128 N 0.20 0.43 -0.01 -0.43 3.58 -0.87 0.31 116.42 119.64 2jm5 h ASP 128 Ca 0.03 -0.15 -0.08 0.00 0.42 0.00 0.00 57.03 57.25 2jm5 h ASP 128 Cb 0.59 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.51 2jm5 h ASP 128 CO 0.04 0.70 -0.22 -0.07 -2.88 0.00 0.00 179.24 176.81 2jm5 h LEU 129 N 0.38 0.39 -0.25 2.28 3.38 -0.89 -2.69 115.31 117.91 2jm5 h LEU 129 Ca 0.05 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 2jm5 h LEU 129 Cb 0.68 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2jm5 h LEU 129 CO 0.05 0.62 -0.04 0.24 0.09 0.00 0.00 178.44 179.40 2jm5 h MET 130 N 0.36 0.46 0.00 1.13 2.86 -0.46 -3.29 114.93 115.98 2jm5 h MET 130 Ca 0.06 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 2jm5 h MET 130 Cb 0.59 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.22 2jm5 h MET 130 CO 0.04 0.67 0.00 -0.85 1.06 0.00 0.00 176.91 177.83 2jm5 n GLU 131 N -4.58 0.00 -0.10 1.72 0.28 0.03 -4.64 120.64 113.34 2jm5 n GLU 131 Ca -0.04 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 56.85 2jm5 n GLU 131 Cb 0.28 -3.83 -0.04 0.00 1.43 0.00 0.00 31.44 29.29 2jm5 n GLU 131 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 2jm5 h GLY 132 N 0.00 0.57 -7.52 -1.84 0.00 -1.90 -3.35 103.07 89.03 2jm5 h GLY 132 Ca 0.00 -0.43 -0.71 0.00 0.00 0.00 0.00 47.33 46.19 2jm5 h GLY 132 CO 0.00 0.40 -0.50 0.50 0.00 0.00 0.00 176.54 176.94 2jm5 s ARG 133 N -4.92 2.69 0.00 4.80 0.52 -1.26 -5.19 118.95 115.59 2jm5 s ARG 133 Ca -0.13 -1.28 0.15 0.00 -0.52 0.00 0.00 55.73 53.94 2jm5 s ARG 133 Cb 0.08 -3.73 0.91 0.00 0.52 0.00 0.00 34.95 32.73 2jm5 s ARG 133 CO 0.76 -0.83 1.32 -2.30 0.02 0.00 0.00 175.30 174.28