#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jm5 n MET 2 N 0.00 -1.08 -1.79 1.43 2.00 -1.26 -4.74 117.12 111.67 2jm5 n MET 2 Ca 0.00 0.71 -0.42 0.00 0.00 0.00 0.00 57.70 57.99 2jm5 n MET 2 Cb 0.00 -1.32 -0.03 0.00 0.00 0.00 0.00 33.22 31.87 2jm5 n MET 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2jm5 s VAL 3 N -0.99 2.19 0.33 2.03 0.11 -1.26 -4.96 120.40 117.85 2jm5 s VAL 3 Ca 0.00 0.14 -0.28 0.00 -2.93 0.00 0.00 61.98 58.91 2jm5 s VAL 3 Cb 0.00 -3.09 -0.12 0.00 -1.53 0.00 0.00 36.38 31.64 2jm5 s VAL 3 CO 0.00 0.01 1.32 -0.24 -3.33 0.00 0.00 175.10 172.86 2jm5 n SER 4 N 3.86 2.84 -0.05 3.54 2.88 -1.26 -4.82 113.62 120.61 2jm5 n SER 4 Ca 0.15 1.20 0.08 0.00 -1.33 0.00 0.00 58.87 58.96 2jm5 n SER 4 Cb 0.36 -1.49 0.45 0.00 -0.75 0.00 0.00 64.21 62.78 2jm5 n SER 4 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2jm5 h PRO 5 N 2.81 0.50 -0.20 -1.46 0.11 -1.89 0.25 132.00 132.11 2jm5 h PRO 5 Ca -0.46 -0.03 -0.19 0.00 0.11 0.00 0.00 66.00 65.43 2jm5 h PRO 5 Cb 1.28 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2jm5 h PRO 5 CO 0.64 0.33 -0.63 1.49 -0.21 0.00 0.00 178.00 179.62 2jm5 h GLU 6 N 0.51 0.73 -0.19 1.05 4.81 -1.90 0.72 114.58 120.31 2jm5 h GLU 6 Ca 0.22 -0.51 -0.08 0.00 -0.13 0.00 0.00 59.36 58.86 2jm5 h GLU 6 Cb 0.23 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2jm5 h GLU 6 CO -0.06 1.13 -0.23 1.49 -0.73 0.00 0.00 179.01 180.61 2jm5 h GLU 7 N 0.54 0.33 -0.27 1.92 4.57 -1.49 -2.38 114.58 117.80 2jm5 h GLU 7 Ca -0.01 -0.11 -0.19 0.00 -1.18 0.00 0.00 59.36 57.86 2jm5 h GLU 7 Cb 1.23 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 2jm5 h GLU 7 CO 0.13 0.55 -0.59 0.00 -1.18 0.00 0.00 179.01 177.92 2jm5 h ALA 8 N 1.46 0.43 0.00 2.92 0.00 -0.28 -3.04 119.26 120.75 2jm5 h ALA 8 Ca 0.05 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2jm5 h ALA 8 Cb 0.58 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2jm5 h ALA 8 CO 0.04 0.68 -0.07 -0.39 0.00 0.00 0.00 179.25 179.52 2jm5 h VAL 9 N 0.66 0.96 0.00 0.00 -1.51 -0.37 -0.81 116.25 115.18 2jm5 h VAL 9 Ca 0.00 -0.23 -0.00 0.00 -1.23 0.00 0.00 66.70 65.24 2jm5 h VAL 9 Cb 1.21 1.13 -0.00 0.00 -2.13 0.00 0.00 31.29 31.49 2jm5 h VAL 9 CO 0.13 0.06 -0.02 0.11 -1.23 0.00 0.00 177.57 176.63 2jm5 h LYS 10 N 0.00 0.00 0.00 5.19 1.79 -1.33 -1.62 116.57 120.60 2jm5 h LYS 10 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2jm5 h LYS 10 Cb 0.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 2jm5 h LYS 10 CO 0.01 0.02 0.00 -1.49 -1.08 0.00 0.00 179.45 176.91 2jm5 h TRP 11 N 0.00 0.00 -0.12 -1.35 6.55 -1.23 -3.24 115.95 116.56 2jm5 h TRP 11 Ca -0.00 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 59.82 2jm5 h TRP 11 Cb 0.06 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.35 2jm5 h TRP 11 CO 0.00 0.00 0.03 0.41 -1.05 0.00 0.00 178.44 177.83 2jm5 n GLY 12 N 0.56 1.91 0.00 1.49 0.00 -0.61 -2.85 105.19 105.70 2jm5 n GLY 12 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.13 0.28 -3.17 1.61 0.28 -1.22 -5.04 120.64 113.52 2jm5 n GLU 13 Ca 0.06 -0.46 0.05 0.00 -0.16 0.00 0.00 57.16 56.65 2jm5 n GLU 13 Cb 0.48 -0.63 -0.02 0.00 1.43 0.00 0.00 31.44 32.71 2jm5 n GLU 13 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2jm5 s SER 14 N -0.13 -0.45 0.42 -1.84 0.15 -1.13 -5.01 113.70 105.69 2jm5 s SER 14 Ca 0.00 0.31 0.11 0.00 0.70 0.00 0.00 55.95 57.07 2jm5 s SER 14 Cb 0.00 1.39 0.89 0.00 -1.71 0.00 0.00 66.02 66.58 2jm5 s SER 14 CO 0.00 -0.08 1.97 0.15 1.20 0.00 0.00 173.24 176.48 2jm5 h PHE 15 N 7.94 0.21 -0.17 3.44 3.57 -1.97 -1.43 116.94 128.53 2jm5 h PHE 15 Ca -0.14 -0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.24 2jm5 h PHE 15 Cb 1.17 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 2jm5 h PHE 15 CO 0.09 0.29 -0.37 0.22 -2.23 0.00 0.00 178.31 176.30 2jm5 h ASP 16 N 0.21 0.39 -0.23 0.41 3.58 -1.95 -1.53 116.42 117.30 2jm5 h ASP 16 Ca 0.05 -0.16 -0.04 0.00 0.42 0.00 0.00 57.03 57.30 2jm5 h ASP 16 Cb 0.26 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 2jm5 h ASP 16 CO 0.01 0.73 -0.03 0.50 -2.88 0.00 0.00 179.24 177.58 2jm5 h LYS 17 N 0.31 0.42 -0.14 0.28 3.64 -1.64 0.14 116.57 119.58 2jm5 h LYS 17 Ca 0.03 -0.15 0.05 0.00 -1.27 0.00 0.00 60.65 59.31 2jm5 h LYS 17 Cb 0.80 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.54 2jm5 h LYS 17 CO 0.06 0.63 -0.21 1.25 -2.27 0.00 0.00 179.45 178.91 2jm5 h LEU 18 N 0.17 -0.66 -1.25 5.20 5.85 -1.22 -1.22 115.31 122.17 2jm5 h LEU 18 Ca 0.06 0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.82 2jm5 h LEU 18 Cb 0.46 0.30 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 2jm5 h LEU 18 CO 0.02 -0.26 -0.37 -0.07 -0.34 0.00 0.00 178.44 177.41 2jm5 h LEU 19 N -0.26 0.00 -0.52 2.25 4.07 -1.12 -0.98 115.31 118.75 2jm5 h LEU 19 Ca 0.10 -0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.02 2jm5 h LEU 19 Cb 0.42 -0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 2jm5 h LEU 19 CO -0.30 0.38 -0.19 0.28 -1.08 0.00 0.00 178.44 177.52 2jm5 h SER 20 N 0.00 0.00 -3.39 -0.43 0.02 -0.41 -3.40 113.55 105.94 2jm5 h SER 20 Ca -0.00 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.36 2jm5 h SER 20 Cb 0.66 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.11 2jm5 h SER 20 CO 0.05 0.19 0.13 -2.28 -1.14 0.00 0.00 176.83 173.78 2jm5 s HIS 21 N -3.33 3.41 0.18 3.45 5.04 -0.51 -4.94 115.29 118.59 2jm5 s HIS 21 Ca 0.04 0.99 -0.13 0.00 -1.54 0.00 0.00 55.06 54.42 2jm5 s HIS 21 Cb 0.08 -2.81 0.15 0.00 0.04 0.00 0.00 32.58 30.04 2jm5 s HIS 21 CO 0.66 -0.14 1.78 -0.09 -2.34 0.00 0.00 174.74 174.61 2jm5 h ARG 22 N 7.35 0.46 0.00 2.88 2.43 -1.81 0.19 114.38 125.88 2jm5 h ARG 22 Ca -0.33 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 58.81 2jm5 h ARG 22 Cb 1.15 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.59 2jm5 h ARG 22 CO 0.78 0.31 -0.02 -0.44 -1.51 0.00 0.00 179.97 179.08 2jm5 h ASP 23 N 0.48 0.00 0.11 -3.80 3.32 -1.92 0.78 116.42 115.39 2jm5 h ASP 23 Ca 0.23 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.98 2jm5 h ASP 23 Cb 0.17 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2jm5 h ASP 23 CO -0.18 0.02 -1.58 1.23 -1.72 0.00 0.00 179.24 177.01 2jm5 h GLY 24 N 0.08 0.27 0.58 2.75 0.00 -1.10 -0.52 103.07 105.14 2jm5 h GLY 24 Ca -0.00 -0.68 0.08 0.00 0.00 0.00 0.00 47.33 46.73 2jm5 h GLY 24 CO 0.00 0.60 0.45 -2.00 0.00 0.00 0.00 176.54 175.59 2jm5 h LEU 25 N -0.25 0.65 -0.60 3.11 6.46 0.62 0.17 115.31 125.46 2jm5 h LEU 25 Ca -0.35 0.04 -0.08 0.00 -0.12 0.00 0.00 57.88 57.37 2jm5 h LEU 25 Cb 1.81 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 41.63 2jm5 h LEU 25 CO 0.04 0.39 0.05 -0.08 -0.62 0.00 0.00 178.44 178.23 2jm5 h GLU 26 N 0.78 1.02 -0.63 1.25 4.22 -0.88 0.27 114.58 120.61 2jm5 h GLU 26 Ca 0.37 -0.30 -0.03 0.00 0.08 0.00 0.00 59.36 59.48 2jm5 h GLU 26 Cb 0.29 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 2jm5 h GLU 26 CO -0.22 0.98 0.29 0.00 -2.18 0.00 0.00 179.01 177.88 2jm5 h ALA 27 N 1.00 0.82 -0.16 2.92 0.00 0.13 -1.75 119.26 122.22 2jm5 h ALA 27 Ca 0.18 -0.14 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 2jm5 h ALA 27 Cb 0.49 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2jm5 h ALA 27 CO 0.02 0.39 -0.70 0.35 0.00 0.00 0.00 179.25 179.31 2jm5 h PHE 28 N 0.87 0.89 -0.67 0.00 3.57 -0.34 -2.51 116.94 118.76 2jm5 h PHE 28 Ca 0.22 -0.37 0.03 0.00 3.53 0.00 0.00 57.97 61.38 2jm5 h PHE 28 Cb 0.14 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 2jm5 h PHE 28 CO 0.00 1.17 0.41 1.79 -2.23 0.00 0.00 178.31 179.45 2jm5 h THR 29 N 0.48 1.08 -0.11 4.41 1.35 -0.20 0.11 112.91 120.03 2jm5 h THR 29 Ca -0.03 -0.27 0.03 0.00 -0.55 0.00 0.00 66.41 65.59 2jm5 h THR 29 Cb 1.30 0.21 -0.03 0.00 -1.73 0.00 0.00 68.15 67.89 2jm5 h THR 29 CO 0.14 0.15 -0.09 0.03 -0.25 0.00 0.00 175.52 175.49 2jm5 h ARG 30 N 0.80 -0.10 -0.53 4.72 3.08 -1.22 0.56 114.38 121.69 2jm5 h ARG 30 Ca 0.27 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.39 2jm5 h ARG 30 Cb 0.03 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.06 2jm5 h ARG 30 CO -0.11 -0.07 0.24 0.35 -1.07 0.00 0.00 179.97 179.31 2jm5 h PHE 31 N -0.11 0.43 -0.05 3.04 3.57 -0.95 -0.37 116.94 122.49 2jm5 h PHE 31 Ca 0.07 0.02 -0.19 0.00 3.53 0.00 0.00 57.97 61.40 2jm5 h PHE 31 Cb 0.22 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 2jm5 h PHE 31 CO -0.21 0.18 -0.79 1.25 -2.23 0.00 0.00 178.31 176.52 2jm5 h LEU 32 N 0.46 0.46 -0.24 0.59 5.85 -0.13 -3.12 115.31 119.17 2jm5 h LEU 32 Ca 0.24 -0.32 -0.10 0.00 0.84 0.00 0.00 57.88 58.54 2jm5 h LEU 32 Cb 0.20 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 2jm5 h LEU 32 CO -0.20 1.08 -0.23 0.11 -0.34 0.00 0.00 178.44 178.86 2jm5 h LYS 33 N 0.25 0.59 0.00 1.25 1.57 0.40 0.97 116.57 121.59 2jm5 h LYS 33 Ca -0.04 -0.30 -0.05 0.00 -1.87 0.00 0.00 60.65 58.38 2jm5 h LYS 33 Cb 1.38 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.69 2jm5 h LYS 33 CO 0.13 0.90 -0.26 0.00 -0.57 0.00 0.00 179.45 179.65 2jm5 h THR 34 N 0.29 1.18 -0.51 -0.16 1.03 -1.07 -0.87 112.91 112.80 2jm5 h THR 34 Ca 0.04 -0.90 0.00 0.00 -0.01 0.00 0.00 66.41 65.54 2jm5 h THR 34 Cb 0.78 1.49 0.00 0.00 -1.07 0.00 0.00 68.15 69.35 2jm5 h THR 34 CO 0.06 0.26 0.00 -1.84 -0.01 0.00 0.00 175.52 173.98 2jm5 n GLU 35 N -4.22 4.44 -3.70 0.00 0.28 -1.18 -4.98 120.64 111.27 2jm5 n GLU 35 Ca -0.02 -3.09 -0.33 0.00 -0.16 0.00 0.00 57.16 53.56 2jm5 n GLU 35 Cb 0.31 -2.16 0.04 0.00 1.43 0.00 0.00 31.44 31.06 2jm5 n GLU 35 CO 0.00 0.00 0.00 1.97 -0.16 0.00 0.00 177.13 178.94 2jm5 n PHE 36 N 0.40 -1.88 -2.12 -1.84 1.16 -0.33 -4.91 117.46 107.93 2jm5 n PHE 36 Ca 0.26 0.43 0.01 0.00 -1.87 0.00 0.00 57.45 56.28 2jm5 n PHE 36 Cb 1.12 -3.39 0.00 0.00 -1.61 0.00 0.00 39.48 35.61 2jm5 n PHE 36 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32 2jm5 n SER 37 N -2.63 0.19 0.30 5.98 7.64 0.29 -4.91 113.62 120.48 2jm5 n SER 37 Ca -0.09 -1.87 0.18 0.00 1.01 0.00 0.00 58.87 58.10 2jm5 n SER 37 Cb 0.59 -0.17 0.89 0.00 -1.01 0.00 0.00 64.21 64.50 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 0.25 0.00 0.00 1.43 4.11 -1.75 -2.80 114.58 115.82 2jm5 h GLU 38 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.34 2jm5 h GLU 38 Cb 1.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.72 2jm5 h GLU 38 CO 0.01 0.03 0.00 0.93 0.07 0.00 0.00 179.01 180.05 2jm5 h GLU 39 N 0.00 0.00 0.01 1.06 3.07 -1.91 0.34 114.58 117.16 2jm5 h GLU 39 Ca -0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2jm5 h GLU 39 Cb 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 2jm5 h GLU 39 CO 0.00 0.00 -0.01 -0.91 -1.40 0.00 0.00 179.01 176.70 2jm5 h ASN 40 N 0.00 -0.02 0.18 1.42 2.35 -1.89 0.18 115.58 117.80 2jm5 h ASN 40 Ca 0.00 -0.77 -0.12 0.00 -0.55 0.00 0.00 56.30 54.86 2jm5 h ASN 40 Cb 0.07 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 2jm5 h ASN 40 CO 0.00 0.80 -0.42 -0.29 -1.65 0.00 0.00 177.43 175.87 2jm5 h ILE 41 N -0.87 1.31 -0.04 2.81 2.10 -1.65 -1.00 117.51 120.17 2jm5 h ILE 41 Ca -0.00 -1.57 0.00 0.00 1.08 0.00 0.00 64.86 64.37 2jm5 h ILE 41 Cb 0.79 1.68 0.00 0.00 -1.09 0.00 0.00 36.82 38.20 2jm5 h ILE 41 CO 0.00 0.47 0.00 -0.62 -1.08 0.00 0.00 178.15 176.93 2jm5 n GLU 42 N -4.01 1.34 0.16 2.19 1.02 0.06 -0.54 120.64 120.87 2jm5 n GLU 42 Ca -0.02 -0.51 -0.11 0.00 -0.02 0.00 0.00 57.16 56.51 2jm5 n GLU 42 Cb 0.50 -1.43 -0.06 0.00 -0.02 0.00 0.00 31.44 30.43 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 1.14 -0.44 0.00 -0.32 3.04 0.76 -1.03 116.94 120.09 2jm5 h PHE 43 Ca 0.00 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 2jm5 h PHE 43 Cb 0.25 0.15 -0.00 0.00 2.56 0.00 0.00 35.95 38.90 2jm5 h PHE 43 CO 0.02 -0.14 -0.12 0.11 -2.02 0.00 0.00 178.31 176.16 2jm5 h TRP 44 N -1.01 0.00 0.00 0.41 5.08 -1.37 -2.38 115.95 116.69 2jm5 h TRP 44 Ca -0.05 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 59.83 2jm5 h TRP 44 Cb 0.50 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.65 2jm5 h TRP 44 CO 0.03 0.04 -0.43 0.82 -1.28 0.00 0.00 178.44 177.61 2jm5 h ILE 45 N 0.00 1.24 -0.57 0.12 2.04 -0.93 -0.10 117.51 119.30 2jm5 h ILE 45 Ca -0.00 -1.52 -0.06 0.00 1.00 0.00 0.00 64.86 64.27 2jm5 h ILE 45 Cb 1.03 1.84 -0.03 0.00 -0.74 0.00 0.00 36.82 38.92 2jm5 h ILE 45 CO 0.00 0.42 0.10 0.00 0.00 0.00 0.00 178.15 178.68 2jm5 h ALA 46 N 1.57 1.10 -0.09 1.87 0.00 -0.69 0.33 119.26 123.36 2jm5 h ALA 46 Ca -0.00 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 2jm5 h ALA 46 Cb 0.80 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2jm5 h ALA 46 CO 0.06 0.59 -0.40 0.00 0.00 0.00 0.00 179.25 179.50 2jm5 h GLU 48 N 0.16 0.71 0.00 0.00 4.57 -0.17 0.33 114.58 120.19 2jm5 h GLU 48 Ca 0.02 -0.28 -0.10 0.00 -1.18 0.00 0.00 59.36 57.82 2jm5 h GLU 48 Cb 0.78 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.32 2jm5 h GLU 48 CO 0.06 0.87 -0.48 0.22 -1.18 0.00 0.00 179.01 178.50 2jm5 h ASP 49 N 0.50 0.00 -0.36 1.04 3.58 -0.04 -1.23 116.42 119.91 2jm5 h ASP 49 Ca 0.09 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.50 2jm5 h ASP 49 Cb 0.62 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.65 2jm5 h ASP 49 CO 0.04 0.48 0.06 0.15 -2.88 0.00 0.00 179.24 177.09 2jm5 h PHE 50 N 0.00 0.62 0.00 0.28 3.57 0.24 -0.33 116.94 121.32 2jm5 h PHE 50 Ca -0.00 -0.08 -0.05 0.00 3.53 0.00 0.00 57.97 61.36 2jm5 h PHE 50 Cb 0.85 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 2jm5 h PHE 50 CO 0.00 0.64 -0.26 -0.22 -2.23 0.00 0.00 178.31 176.24 2jm5 h LYS 51 N 0.43 0.00 0.00 1.11 3.64 -0.59 -0.65 116.57 120.51 2jm5 h LYS 51 Ca 0.11 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.41 2jm5 h LYS 51 Cb 0.35 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2jm5 h LYS 51 CO 0.01 0.26 -0.37 -0.22 -2.27 0.00 0.00 179.45 176.85 2jm5 h LYS 52 N 0.00 0.00 -1.64 1.90 3.64 -0.73 -3.11 116.57 116.63 2jm5 h LYS 52 Ca -0.00 0.00 -0.72 0.00 -1.27 0.00 0.00 60.65 58.65 2jm5 h LYS 52 Cb 0.47 0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 32.02 2jm5 h LYS 52 CO 0.03 0.37 0.98 0.43 -2.27 0.00 0.00 179.45 178.99 2jm5 n SER 53 N -3.54 7.56 -0.20 4.20 7.64 -0.18 -4.78 113.62 124.32 2jm5 n SER 53 Ca -0.00 -3.80 0.00 0.00 1.01 0.00 0.00 58.87 56.08 2jm5 n SER 53 Cb 0.51 -1.04 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 2jm5 n SER 53 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2jm5 n LYS 54 N -0.63 0.25 -2.39 1.43 -0.00 -1.18 -4.20 118.16 111.44 2jm5 n LYS 54 Ca 0.57 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 58.45 2jm5 n LYS 54 Cb 0.40 -1.05 -0.03 0.00 -0.00 0.00 0.00 35.03 34.35 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 -1.35 1.96 0.51 2.58 0.00 -1.26 -4.91 107.32 104.86 2jm5 s GLY 55 Ca 0.00 0.66 0.16 0.00 0.00 0.00 0.00 44.72 45.53 2jm5 s GLY 55 CO 0.00 2.34 2.14 -0.56 0.00 0.00 0.00 173.10 177.02 2jm5 h PRO 56 N 7.70 0.04 -0.01 2.90 0.13 -2.00 0.86 132.00 141.61 2jm5 h PRO 56 Ca -0.34 -0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.58 2jm5 h PRO 56 Cb 1.16 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 2jm5 h PRO 56 CO 0.90 0.03 -0.87 1.96 -0.23 0.00 0.00 178.00 179.78 2jm5 h GLN 57 N 0.04 0.31 -0.34 0.86 4.20 -1.93 -2.93 115.11 115.32 2jm5 h GLN 57 Ca 0.02 -0.32 -0.07 0.00 0.06 0.00 0.00 58.65 58.33 2jm5 h GLN 57 Cb 0.01 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 2jm5 h GLN 57 CO -0.00 1.01 -0.10 0.37 -0.67 0.00 0.00 178.83 179.43 2jm5 h GLN 58 N 0.18 0.57 -0.42 1.46 5.75 -1.19 -2.75 115.11 118.72 2jm5 h GLN 58 Ca -0.06 -0.17 0.08 0.00 -0.15 0.00 0.00 58.65 58.36 2jm5 h GLN 58 Cb 1.49 -0.06 -0.07 0.00 1.07 0.00 0.00 27.48 29.91 2jm5 h GLN 58 CO 0.14 0.67 0.01 0.82 -2.65 0.00 0.00 178.83 177.82 2jm5 h ILE 59 N 0.53 0.69 -0.26 2.39 1.08 -0.92 0.33 117.51 121.35 2jm5 h ILE 59 Ca 0.10 -0.04 -0.00 0.00 -0.39 0.00 0.00 64.86 64.53 2jm5 h ILE 59 Cb 0.50 0.57 -0.01 0.00 -3.07 0.00 0.00 36.82 34.80 2jm5 h ILE 59 CO 0.03 0.02 0.16 0.45 -0.69 0.00 0.00 178.15 178.12 2jm5 h HIS 60 N 0.12 0.34 0.44 1.37 3.86 -1.48 -0.00 115.15 119.80 2jm5 h HIS 60 Ca 0.21 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.39 2jm5 h HIS 60 Cb 0.29 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.65 2jm5 h HIS 60 CO -0.27 0.25 -0.21 -0.07 0.86 0.00 0.00 177.93 178.49 2jm5 h LEU 61 N 0.33 -0.51 -0.65 2.43 3.38 -1.29 -2.69 115.31 116.31 2jm5 h LEU 61 Ca 0.09 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.12 2jm5 h LEU 61 Cb 0.01 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 2jm5 h LEU 61 CO -0.02 -0.29 0.39 0.50 0.09 0.00 0.00 178.44 179.11 2jm5 h LYS 62 N -0.73 0.73 -0.07 1.13 3.64 -0.40 -0.38 116.57 120.49 2jm5 h LYS 62 Ca -0.06 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2jm5 h LYS 62 Cb 0.46 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2jm5 h LYS 62 CO 0.10 0.48 0.03 0.00 -2.27 0.00 0.00 179.45 177.80 2jm5 h ALA 63 N 1.30 0.09 0.00 5.00 0.00 -1.09 -1.34 119.26 123.22 2jm5 h ALA 63 Ca 0.27 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2jm5 h ALA 63 Cb 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2jm5 h ALA 63 CO -0.13 -0.34 -0.27 -0.22 0.00 0.00 0.00 179.25 178.29 2jm5 h LYS 64 N -0.01 0.00 0.02 0.00 1.63 -1.13 0.14 116.57 117.22 2jm5 h LYS 64 Ca 0.02 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.82 2jm5 h LYS 64 Cb 0.13 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 2jm5 h LYS 64 CO -0.00 0.27 -0.01 0.00 -3.45 0.00 0.00 179.45 176.26 2jm5 h ALA 65 N 1.73 -0.02 -0.93 5.00 0.00 -0.77 -1.92 119.26 122.35 2jm5 h ALA 65 Ca -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2jm5 h ALA 65 Cb 0.48 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2jm5 h ALA 65 CO 0.03 -0.30 0.55 0.82 0.00 0.00 0.00 179.25 180.35 2jm5 h ILE 66 N -0.44 1.26 0.03 0.00 2.04 -0.87 -1.97 117.51 117.57 2jm5 h ILE 66 Ca -0.00 -0.59 0.03 0.00 1.00 0.00 0.00 64.86 65.30 2jm5 h ILE 66 Cb 0.42 -0.04 -0.05 0.00 -0.74 0.00 0.00 36.82 36.41 2jm5 h ILE 66 CO 0.00 0.28 -0.39 0.22 0.00 0.00 0.00 178.15 178.26 2jm5 h TYR 67 N 1.30 -1.09 0.00 1.37 3.20 -0.67 -0.02 116.97 121.05 2jm5 h TYR 67 Ca 0.33 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.21 2jm5 h TYR 67 Cb -0.03 0.48 -0.00 0.00 1.54 0.00 0.00 36.73 38.71 2jm5 h TYR 67 CO 0.01 -0.48 -0.12 0.93 -1.64 0.00 0.00 178.16 176.86 2jm5 h GLU 68 N -0.57 0.00 0.00 1.82 5.08 -0.99 0.26 114.58 120.18 2jm5 h GLU 68 Ca 0.04 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 2jm5 h GLU 68 Cb 0.63 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2jm5 h GLU 68 CO -0.28 0.12 -1.05 -0.22 -1.00 0.00 0.00 179.01 176.58 2jm5 h LYS 69 N 0.00 0.00 0.00 2.33 3.64 -1.05 -3.40 116.57 118.09 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 0.74 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 2jm5 h LYS 69 CO 0.02 0.14 -0.13 1.19 -2.27 0.00 0.00 179.45 178.40 2jm5 n PHE 70 N -2.83 -1.06 0.24 1.91 3.72 -0.05 -2.52 117.46 116.87 2jm5 n PHE 70 Ca -0.03 0.19 0.09 0.00 -0.05 0.00 0.00 57.45 57.65 2jm5 n PHE 70 Cb 0.67 0.33 0.60 0.00 -0.94 0.00 0.00 39.48 40.15 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 0.79 -3.90 4.37 1.08 -0.79 -3.17 117.51 115.89 2jm5 h ILE 71 Ca 0.00 -0.72 -0.52 0.00 -0.39 0.00 0.00 64.86 63.23 2jm5 h ILE 71 Cb 0.13 1.43 0.07 0.00 -3.07 0.00 0.00 36.82 35.38 2jm5 h ILE 71 CO 0.00 0.18 0.63 -1.58 -0.69 0.00 0.00 178.15 176.69 2jm5 s GLN 72 N -4.24 4.24 0.02 2.37 2.00 0.65 -4.95 119.66 119.75 2jm5 s GLN 72 Ca -0.03 2.21 -0.27 0.00 -2.00 0.00 0.00 55.36 55.27 2jm5 s GLN 72 Cb 0.14 -2.97 -0.15 0.00 0.80 0.00 0.00 33.01 30.82 2jm5 s GLN 72 CO 0.63 -0.29 1.16 1.15 -0.50 0.00 0.00 175.29 177.44 2jm5 h THR 73 N 2.87 0.00 -2.92 -0.34 2.02 -1.91 -3.30 112.91 109.32 2jm5 h THR 73 Ca -0.49 -0.24 -0.71 0.00 0.77 0.00 0.00 66.41 65.74 2jm5 h THR 73 Cb 1.23 0.00 -0.20 0.00 -1.74 0.00 0.00 68.15 67.44 2jm5 h THR 73 CO 0.65 0.00 0.40 -0.62 0.37 0.00 0.00 175.52 176.32 2jm5 s ASP 74 N -4.27 6.48 0.35 4.18 2.15 -1.26 -4.77 116.67 119.53 2jm5 s ASP 74 Ca -0.14 -1.92 0.08 0.00 0.43 0.00 0.00 52.55 50.99 2jm5 s ASP 74 Cb 0.01 -2.32 -0.07 0.00 -0.30 0.00 0.00 42.92 40.24 2jm5 s ASP 74 CO 0.43 -0.99 -0.04 0.00 -0.17 0.00 0.00 175.17 174.40 2jm5 s ALA 75 N 2.18 2.82 0.31 3.66 0.00 -1.24 -5.02 121.76 124.47 2jm5 s ALA 75 Ca 0.21 -2.11 0.30 0.00 0.00 0.00 0.00 51.96 50.36 2jm5 s ALA 75 Cb -0.13 0.15 1.42 0.00 0.00 0.00 0.00 23.12 24.55 2jm5 s ALA 75 CO -0.03 -0.05 2.03 -1.00 0.00 0.00 0.00 175.76 176.71 2jm5 h PRO 76 N 2.01 0.00 0.00 0.00 0.13 -1.79 -3.34 132.00 129.00 2jm5 h PRO 76 Ca -0.42 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.52 2jm5 h PRO 76 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 2jm5 h PRO 76 CO 0.73 0.11 -1.63 1.63 -0.23 0.00 0.00 178.00 178.61 2jm5 n LYS 77 N -3.40 0.24 -0.80 0.86 4.76 -1.05 -5.11 118.16 113.67 2jm5 n LYS 77 Ca -0.01 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 2jm5 n LYS 77 Cb 0.28 -0.94 0.00 0.00 -1.84 0.00 0.00 35.03 32.53 2jm5 n LYS 77 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2jm5 n GLU 78 N -3.41 -2.18 -4.24 1.97 1.02 -1.19 -5.03 120.64 107.57 2jm5 n GLU 78 Ca -0.22 1.66 -0.17 0.00 -0.02 0.00 0.00 57.16 58.42 2jm5 n GLU 78 Cb 0.66 -1.98 -0.14 0.00 -0.02 0.00 0.00 31.44 29.96 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 -3.86 0.56 -0.09 2.62 1.01 -1.20 -4.95 120.40 114.50 2jm5 s VAL 79 Ca 0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 2jm5 s VAL 79 Cb 0.00 -0.49 -0.07 0.00 0.00 0.00 0.00 36.38 35.82 2jm5 s VAL 79 CO 0.00 0.11 2.69 0.59 0.00 0.00 0.00 175.10 178.50 2jm5 n ASN 80 N 2.78 5.57 -4.74 3.32 5.03 -1.26 -4.91 115.26 121.03 2jm5 n ASN 80 Ca -0.14 -2.60 -0.41 0.00 0.87 0.00 0.00 54.58 52.30 2jm5 n ASN 80 Cb 0.57 -1.24 -0.05 0.00 -1.02 0.00 0.00 39.78 38.05 2jm5 n ASN 80 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2jm5 s LEU 81 N -0.46 4.55 0.22 3.41 2.96 -1.26 -4.98 118.68 123.13 2jm5 s LEU 81 Ca 0.35 2.04 -0.32 0.00 -0.22 0.00 0.00 54.13 55.98 2jm5 s LEU 81 Cb 0.19 -3.61 -0.14 0.00 0.50 0.00 0.00 46.19 43.14 2jm5 s LEU 81 CO -0.02 -0.06 1.40 -0.67 -1.32 0.00 0.00 176.35 175.67 2jm5 n ASP 82 N 1.92 2.64 -0.17 3.68 -0.08 -1.26 -4.80 116.55 118.48 2jm5 n ASP 82 Ca 0.00 1.14 -0.02 0.00 -1.51 0.00 0.00 54.79 54.40 2jm5 n ASP 82 Cb 0.47 -1.40 0.06 0.00 2.34 0.00 0.00 41.12 42.58 2jm5 n ASP 82 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 2jm5 h PHE 83 N 4.30 -0.08 -0.15 -0.67 3.04 -1.99 0.46 116.94 121.85 2jm5 h PHE 83 Ca -0.45 0.04 -0.11 0.00 3.98 0.00 0.00 57.97 61.43 2jm5 h PHE 83 Cb 1.28 0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.89 2jm5 h PHE 83 CO 0.57 -0.14 -0.38 1.25 -2.02 0.00 0.00 178.31 177.58 2jm5 h HIS 84 N 0.09 0.39 -0.19 0.41 2.76 -1.98 0.13 115.15 116.75 2jm5 h HIS 84 Ca 0.26 -0.10 -0.03 0.00 -2.20 0.00 0.00 60.37 58.30 2jm5 h HIS 84 Cb 0.40 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 2jm5 h HIS 84 CO -0.34 0.67 -0.01 1.15 -1.30 0.00 0.00 177.93 178.10 2jm5 h THR 85 N 0.28 1.26 -0.48 6.26 2.02 -1.64 -0.74 112.91 119.87 2jm5 h THR 85 Ca 0.03 -0.91 0.07 0.00 0.77 0.00 0.00 66.41 66.37 2jm5 h THR 85 Cb 0.81 1.49 -0.06 0.00 -1.74 0.00 0.00 68.15 68.64 2jm5 h THR 85 CO 0.06 0.28 0.13 0.11 0.37 0.00 0.00 175.52 176.47 2jm5 h LYS 86 N 0.09 0.27 -0.17 6.66 1.57 -0.61 -1.06 116.57 123.32 2jm5 h LYS 86 Ca 0.05 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.87 2jm5 h LYS 86 Cb 0.42 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.61 2jm5 h LYS 86 CO 0.01 0.18 -0.25 1.49 -0.57 0.00 0.00 179.45 180.31 2jm5 h GLU 87 N 0.28 -0.28 -0.61 3.15 4.81 -0.54 0.29 114.58 121.67 2jm5 h GLU 87 Ca 0.23 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.51 2jm5 h GLU 87 Cb 0.28 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 2jm5 h GLU 87 CO -0.28 -0.19 0.37 0.28 -0.73 0.00 0.00 179.01 178.46 2jm5 h VAL 88 N -0.29 1.06 -0.32 0.32 2.07 -0.59 -2.36 116.25 116.14 2jm5 h VAL 88 Ca 0.11 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 2jm5 h VAL 88 Cb 0.47 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2jm5 h VAL 88 CO -0.34 0.13 0.14 0.40 0.02 0.00 0.00 177.57 177.92 2jm5 h ILE 89 N 0.72 1.17 -0.19 4.57 2.04 -0.45 0.42 117.51 125.79 2jm5 h ILE 89 Ca 0.25 -0.50 0.05 0.00 1.00 0.00 0.00 64.86 65.67 2jm5 h ILE 89 Cb 0.05 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2jm5 h ILE 89 CO -0.11 0.18 0.17 0.71 0.00 0.00 0.00 178.15 179.09 2jm5 h THR 90 N 0.37 0.63 0.07 -0.27 1.35 0.04 0.24 112.91 115.35 2jm5 h THR 90 Ca 0.11 0.00 -0.32 0.00 -0.55 0.00 0.00 66.41 65.64 2jm5 h THR 90 Cb 0.15 0.87 -0.03 0.00 -1.73 0.00 0.00 68.15 67.41 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 -4.06 2.03 0.00 5.36 3.02 -0.93 -4.15 115.26 116.52 2jm5 n ASN 91 Ca 0.02 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.85 2jm5 n ASN 91 Cb 0.30 -0.89 0.00 0.00 -0.61 0.00 0.00 39.78 38.58 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 0.00 -0.03 6.41 2.88 0.14 -2.97 113.62 116.22 2jm5 n SER 92 Ca -0.33 -1.77 0.04 0.00 -1.33 0.00 0.00 58.87 55.48 2jm5 n SER 92 Cb 0.91 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 64.24 2jm5 n SER 92 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jm5 n ILE 93 N -0.50 0.32 0.09 2.46 0.13 0.75 -3.32 119.36 119.30 2jm5 n ILE 93 Ca 0.00 -0.49 -0.02 0.00 -1.10 0.00 0.00 62.75 61.14 2jm5 n ILE 93 Cb 0.00 -0.09 0.22 0.00 -0.84 0.00 0.00 39.64 38.92 2jm5 n ILE 93 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2jm5 h THR 94 N 0.00 1.31 -2.50 9.51 1.03 -1.74 -3.27 112.91 117.26 2jm5 h THR 94 Ca -0.13 -1.53 -0.60 0.00 -0.01 0.00 0.00 66.41 64.14 2jm5 h THR 94 Cb 1.15 1.69 -0.39 0.00 -1.07 0.00 0.00 68.15 69.53 2jm5 h THR 94 CO 0.01 0.46 -0.86 0.00 -0.01 0.00 0.00 175.52 175.11 2jm5 n GLN 95 N -4.02 0.83 -1.78 0.00 1.13 -1.26 -5.10 117.38 107.18 2jm5 n GLN 95 Ca -0.02 -3.62 -0.33 0.00 -1.94 0.00 0.00 57.00 51.09 2jm5 n GLN 95 Cb 0.48 -1.82 0.05 0.00 0.11 0.00 0.00 30.24 29.06 2jm5 n GLN 95 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2jm5 s PRO 96 N -0.66 2.78 0.35 -1.09 0.04 -1.21 -4.87 135.00 130.34 2jm5 s PRO 96 Ca 0.32 1.47 0.05 0.00 0.04 0.00 0.00 61.00 62.88 2jm5 s PRO 96 Cb 0.04 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.57 2jm5 s PRO 96 CO -0.17 -1.28 0.04 0.95 0.04 0.00 0.00 177.00 176.58 2jm5 s THR 97 N -2.21 1.47 0.66 1.26 -4.23 -1.26 -4.86 115.64 106.47 2jm5 s THR 97 Ca 0.69 -2.01 0.40 0.00 -1.18 0.00 0.00 61.69 59.59 2jm5 s THR 97 Cb -0.22 -2.84 0.40 0.00 1.34 0.00 0.00 72.50 71.18 2jm5 s THR 97 CO 0.40 -0.02 2.25 0.25 -0.54 0.00 0.00 174.62 176.97 2jm5 h LEU 98 N 2.02 0.00 -4.85 4.79 5.85 -1.97 -1.95 115.31 119.20 2jm5 h LEU 98 Ca -0.42 0.00 -0.42 0.00 0.84 0.00 0.00 57.88 57.88 2jm5 h LEU 98 Cb 1.24 0.00 -0.41 0.00 0.37 0.00 0.00 40.66 41.87 2jm5 h LEU 98 CO 0.73 0.00 -1.04 1.41 -0.34 0.00 0.00 178.44 179.20 2jm5 n HIS 99 N -3.14 1.87 0.12 1.25 8.25 -1.26 -4.45 115.22 117.86 2jm5 n HIS 99 Ca -0.02 -2.79 0.04 0.00 -0.26 0.00 0.00 57.72 54.69 2jm5 n HIS 99 Cb 0.16 -0.28 0.19 0.00 1.12 0.00 0.00 29.99 31.18 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 -0.26 0.15 -0.29 0.41 7.64 -0.73 -1.38 113.62 119.16 2jm5 n SER 100 Ca 0.19 0.56 0.09 0.00 1.01 0.00 0.00 58.87 60.72 2jm5 n SER 100 Cb 0.78 -0.58 0.17 0.00 -1.01 0.00 0.00 64.21 63.56 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 -1.69 0.25 -0.14 1.43 3.72 -1.26 -4.62 117.46 115.14 2jm5 n PHE 101 Ca 0.00 -0.94 -0.11 0.00 -0.05 0.00 0.00 57.45 56.35 2jm5 n PHE 101 Cb 0.04 -0.19 -0.01 0.00 -0.94 0.00 0.00 39.48 38.38 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 0.49 0.76 0.07 4.37 3.58 -1.60 0.19 116.42 124.28 2jm5 h ASP 102 Ca 0.00 -0.34 -0.14 0.00 0.42 0.00 0.00 57.03 56.96 2jm5 h ASP 102 Cb 1.09 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.93 2jm5 h ASP 102 CO 0.06 0.92 -0.49 0.00 -2.88 0.00 0.00 179.24 176.84 2jm5 h ALA 103 N 0.86 0.81 0.00 -0.78 0.00 -1.86 -2.37 119.26 115.93 2jm5 h ALA 103 Ca 0.11 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 2jm5 h ALA 103 Cb 0.57 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2jm5 h ALA 103 CO 0.03 0.67 -0.34 0.00 0.00 0.00 0.00 179.25 179.61 2jm5 h ALA 104 N 1.08 1.06 -0.25 0.00 0.00 -1.82 -1.90 119.26 117.42 2jm5 h ALA 104 Ca 0.02 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.62 2jm5 h ALA 104 Cb 1.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2jm5 h ALA 104 CO 0.09 0.43 0.16 0.37 0.00 0.00 0.00 179.25 180.30 2jm5 h GLN 105 N 0.00 0.32 -0.25 0.00 -0.00 -0.08 0.13 115.11 115.23 2jm5 h GLN 105 Ca -0.00 -0.02 -0.09 0.00 -0.00 0.00 0.00 58.65 58.54 2jm5 h GLN 105 Cb 0.81 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 28.21 2jm5 h GLN 105 CO 0.04 0.21 -0.23 0.77 0.00 0.00 0.00 178.83 179.62 2jm5 h SER 106 N 0.32 0.46 0.16 -0.69 0.02 -1.29 -0.24 113.55 112.29 2jm5 h SER 106 Ca 0.10 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 2jm5 h SER 106 Cb -0.02 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.39 2jm5 h SER 106 CO -0.03 0.70 -0.08 0.03 -1.14 0.00 0.00 176.83 176.31 2jm5 h ARG 107 N 0.41 -0.21 0.00 3.45 2.47 -0.84 -1.89 114.38 117.77 2jm5 h ARG 107 Ca 0.06 0.01 -0.10 0.00 -1.26 0.00 0.00 59.98 58.70 2jm5 h ARG 107 Cb 0.64 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.99 2jm5 h ARG 107 CO 0.05 0.05 -0.47 0.28 0.56 0.00 0.00 179.97 180.44 2jm5 h VAL 108 N -0.46 1.31 0.21 2.04 2.07 -0.89 0.08 116.25 120.60 2jm5 h VAL 108 Ca -0.02 -1.62 0.01 0.00 0.82 0.00 0.00 66.70 65.89 2jm5 h VAL 108 Cb 0.36 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 2jm5 h VAL 108 CO 0.04 0.46 -0.25 0.22 0.02 0.00 0.00 177.57 178.05 2jm5 h TYR 109 N 0.00 -0.66 0.00 1.57 3.20 -0.91 -0.80 116.97 119.37 2jm5 h TYR 109 Ca -0.00 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.78 2jm5 h TYR 109 Cb 0.84 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.36 2jm5 h TYR 109 CO 0.00 -0.36 -0.46 -0.56 -1.64 0.00 0.00 178.16 175.14 2jm5 h GLN 110 N -0.51 0.00 -0.28 1.82 3.07 -0.88 -0.44 115.11 117.89 2jm5 h GLN 110 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 58.65 58.79 2jm5 h GLN 110 Cb 0.49 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.01 2jm5 h GLN 110 CO -0.08 0.46 0.03 -0.07 0.09 0.00 0.00 178.83 179.26 2jm5 h LEU 111 N 0.00 -0.03 -0.65 0.06 3.38 -0.68 -2.13 115.31 115.25 2jm5 h LEU 111 Ca -0.00 0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 2jm5 h LEU 111 Cb 0.85 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 2jm5 h LEU 111 CO 0.06 0.02 -0.58 0.24 0.09 0.00 0.00 178.44 178.27 2jm5 h MET 112 N 0.13 0.00 0.11 1.13 2.86 -0.77 -3.31 114.93 115.08 2jm5 h MET 112 Ca 0.13 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 2jm5 h MET 112 Cb 0.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.81 2jm5 h MET 112 CO -0.19 0.58 -0.05 1.49 1.06 0.00 0.00 176.91 179.79 2jm5 h GLU 113 N 0.00 -0.15 -0.78 1.72 4.81 -0.44 0.50 114.58 120.24 2jm5 h GLU 113 Ca -0.01 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2jm5 h GLU 113 Cb 1.14 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2jm5 h GLU 113 CO 0.07 -0.10 0.00 0.00 -0.73 0.00 0.00 179.01 178.26 2jm5 n GLN 114 N -2.43 0.77 0.06 1.92 10.64 -0.98 -2.01 117.38 125.34 2jm5 n GLN 114 Ca -0.02 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.15 2jm5 n GLN 114 Cb 0.06 -1.38 0.00 0.00 -0.86 0.00 0.00 30.24 28.06 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 0.13 -0.07 0.01 2.61 -0.08 -1.20 -4.95 116.55 113.01 2jm5 n ASP 115 Ca 0.00 0.21 0.05 0.00 -1.51 0.00 0.00 54.79 53.54 2jm5 n ASP 115 Cb 0.20 0.17 -0.12 0.00 2.34 0.00 0.00 41.12 43.71 2jm5 n ASP 115 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2jm5 n SER 116 N -2.91 0.34 0.15 1.67 7.64 0.13 -4.02 113.62 116.62 2jm5 n SER 116 Ca 0.00 0.14 -0.14 0.00 1.01 0.00 0.00 58.87 59.89 2jm5 n SER 116 Cb 0.00 1.15 -0.08 0.00 -1.01 0.00 0.00 64.21 64.27 2jm5 n SER 116 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 2jm5 h TYR 117 N 0.00 -0.35 -0.42 1.43 3.20 0.19 0.39 116.97 121.41 2jm5 h TYR 117 Ca -0.13 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.71 2jm5 h TYR 117 Cb 1.33 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.69 2jm5 h TYR 117 CO 0.00 -0.05 0.14 0.00 -1.64 0.00 0.00 178.16 176.61 2jm5 h THR 118 N -0.66 1.17 -0.39 1.81 1.03 -1.78 0.11 112.91 114.20 2jm5 h THR 118 Ca -0.04 -0.58 -0.02 0.00 -0.01 0.00 0.00 66.41 65.75 2jm5 h THR 118 Cb 0.46 0.71 -0.02 0.00 -1.07 0.00 0.00 68.15 68.23 2jm5 h THR 118 CO 0.06 0.22 0.15 -0.09 -0.01 0.00 0.00 175.52 175.86 2jm5 h ARG 119 N 0.60 0.58 -0.63 0.00 2.43 -1.65 -2.07 114.38 113.65 2jm5 h ARG 119 Ca 0.14 -0.11 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2jm5 h ARG 119 Cb 0.17 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 2jm5 h ARG 119 CO -0.01 0.56 0.41 0.35 -1.51 0.00 0.00 179.97 179.77 2jm5 h PHE 120 N 0.48 0.78 0.00 2.20 3.57 0.54 -0.08 116.94 124.44 2jm5 h PHE 120 Ca 0.13 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 2jm5 h PHE 120 Cb 0.19 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 38.67 2jm5 h PHE 120 CO -0.00 0.49 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.47 2jm5 h LEU 121 N 0.85 0.00 -2.36 0.59 3.38 -0.22 -0.36 115.31 117.18 2jm5 h LEU 121 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2jm5 h LEU 121 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2jm5 h LEU 121 CO -0.05 0.03 0.00 0.29 0.09 0.00 0.00 178.44 178.79 2jm5 n LYS 122 N -3.63 2.18 -1.69 1.13 4.01 -0.83 -4.50 118.16 114.83 2jm5 n LYS 122 Ca -0.03 -1.95 -0.32 0.00 -0.51 0.00 0.00 58.31 55.50 2jm5 n LYS 122 Cb 0.12 -1.35 0.05 0.00 -0.51 0.00 0.00 35.03 33.34 2jm5 n LYS 122 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 2jm5 s SER 123 N -1.12 5.22 0.38 4.39 1.04 -0.10 -4.88 113.70 118.63 2jm5 s SER 123 Ca 0.27 1.83 0.05 0.00 0.48 0.00 0.00 55.95 58.58 2jm5 s SER 123 Cb 0.15 -2.53 0.74 0.00 0.10 0.00 0.00 66.02 64.49 2jm5 s SER 123 CO 0.21 -1.55 2.00 -0.78 0.98 0.00 0.00 173.24 174.10 2jm5 h ASP 124 N -0.26 0.54 -0.02 7.02 3.58 -1.91 -0.81 116.42 124.56 2jm5 h ASP 124 Ca -0.45 -0.04 0.02 0.00 0.42 0.00 0.00 57.03 56.98 2jm5 h ASP 124 Cb 1.23 -0.14 -0.06 0.00 1.72 0.00 0.00 39.33 42.09 2jm5 h ASP 124 CO 0.55 0.44 -0.53 0.40 -2.88 0.00 0.00 179.24 177.22 2jm5 h ILE 125 N 0.61 0.02 -0.10 2.25 2.04 -1.91 0.43 117.51 120.85 2jm5 h ILE 125 Ca 0.16 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.83 2jm5 h ILE 125 Cb 0.03 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.12 2jm5 h ILE 125 CO -0.03 0.00 -0.70 0.22 0.00 0.00 0.00 178.15 177.64 2jm5 h TYR 126 N -0.66 0.63 0.00 1.37 3.20 -1.61 -2.48 116.97 117.43 2jm5 h TYR 126 Ca 0.02 -0.27 -0.02 0.00 3.14 0.00 0.00 58.73 61.60 2jm5 h TYR 126 Cb 0.72 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.88 2jm5 h TYR 126 CO -0.52 1.03 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.86 2jm5 h LEU 127 N 0.33 0.00 -0.03 2.82 3.38 -0.95 -0.53 115.31 120.33 2jm5 h LEU 127 Ca -0.03 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.72 2jm5 h LEU 127 Cb 1.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 2jm5 h LEU 127 CO 0.13 0.10 -1.03 -0.78 0.09 0.00 0.00 178.44 176.94 2jm5 h ASP 128 N 0.00 0.15 0.23 -0.43 3.58 0.17 -1.47 116.42 118.65 2jm5 h ASP 128 Ca -0.00 -0.15 -0.10 0.00 0.42 0.00 0.00 57.03 57.20 2jm5 h ASP 128 Cb 0.46 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.45 2jm5 h ASP 128 CO 0.01 1.08 -0.39 -0.07 -2.88 0.00 0.00 179.24 176.99 2jm5 h LEU 129 N 0.03 0.23 -0.02 2.28 3.38 -0.83 -3.12 115.31 117.26 2jm5 h LEU 129 Ca -0.05 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 2jm5 h LEU 129 Cb 1.76 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.45 2jm5 h LEU 129 CO 0.15 0.60 0.00 0.24 0.09 0.00 0.00 178.44 179.52 2jm5 h MET 130 N 0.19 0.03 -6.74 1.13 2.86 -0.86 -3.37 114.93 108.16 2jm5 h MET 130 Ca 0.02 -0.01 -0.54 0.00 -2.06 0.00 0.00 59.70 57.11 2jm5 h MET 130 Cb 0.78 -0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.44 2jm5 h MET 130 CO 0.06 0.28 -0.99 -0.85 1.06 0.00 0.00 176.91 176.47 2jm5 n GLU 131 N -4.94 -0.61 -0.00 1.72 0.28 -0.58 -4.86 120.64 111.65 2jm5 n GLU 131 Ca -0.07 0.25 -0.06 0.00 -0.16 0.00 0.00 57.16 57.12 2jm5 n GLU 131 Cb 0.15 -2.88 -0.04 0.00 1.43 0.00 0.00 31.44 30.10 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 -2.18 -0.12 -6.03 -1.84 0.00 -1.92 -3.46 103.07 87.53 2jm5 h GLY 132 Ca -0.69 0.04 -0.44 0.00 0.00 0.00 0.00 47.33 46.25 2jm5 h GLY 132 CO 0.49 -0.04 -0.79 1.09 0.00 0.00 0.00 176.54 177.29 2jm5 s ARG 133 N -2.23 1.11 0.00 4.80 1.04 -1.26 -5.28 118.95 117.14 2jm5 s ARG 133 Ca -0.07 -0.22 0.27 0.00 -1.04 0.00 0.00 55.73 54.68 2jm5 s ARG 133 Cb -0.00 -1.01 0.94 0.00 -2.04 0.00 0.00 34.95 32.83 2jm5 s ARG 133 CO 0.24 -0.02 1.68 -0.35 -0.04 0.00 0.00 175.30 176.81