#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 3.99 -0.20 1.43 0.00 -1.26 -4.99 119.30 118.27 2jm5 s MET 2 Ca 0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 55.69 55.33 2jm5 s MET 2 Cb 0.00 -3.25 -0.02 0.00 0.00 0.00 0.00 34.83 31.56 2jm5 s MET 2 CO 0.00 0.30 -0.00 0.54 0.00 0.00 0.00 175.02 175.86 2jm5 s VAL 3 N 0.29 3.94 0.36 5.16 0.11 -1.26 -5.08 120.40 123.92 2jm5 s VAL 3 Ca 0.05 -0.32 -0.26 0.00 -2.93 0.00 0.00 61.98 58.52 2jm5 s VAL 3 Cb -0.12 -2.78 -0.09 0.00 -1.53 0.00 0.00 36.38 31.86 2jm5 s VAL 3 CO -0.00 0.43 1.10 -0.44 -3.33 0.00 0.00 175.10 172.86 2jm5 s SER 4 N 0.98 6.88 0.45 3.54 0.01 -1.26 -4.90 113.70 119.41 2jm5 s SER 4 Ca 0.01 2.20 0.20 0.00 1.31 0.00 0.00 55.95 59.67 2jm5 s SER 4 Cb -0.14 -2.61 1.16 0.00 0.21 0.00 0.00 66.02 64.64 2jm5 s SER 4 CO 0.02 -0.41 1.89 1.55 0.41 0.00 0.00 173.24 176.70 2jm5 h PRO 5 N 3.01 0.30 0.00 12.44 0.13 -1.84 0.23 132.00 146.27 2jm5 h PRO 5 Ca -0.48 -0.02 -0.15 0.00 -0.87 0.00 0.00 66.00 64.48 2jm5 h PRO 5 Cb 1.22 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 2jm5 h PRO 5 CO 0.64 0.20 -0.71 0.93 -0.23 0.00 0.00 178.00 178.83 2jm5 h GLU 6 N 0.31 0.00 -0.28 0.86 4.39 -1.91 0.16 114.58 118.11 2jm5 h GLU 6 Ca 0.41 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.93 2jm5 h GLU 6 Cb 1.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 2jm5 h GLU 6 CO -0.12 0.71 -0.56 1.49 -1.16 0.00 0.00 179.01 179.38 2jm5 h GLU 7 N 0.00 0.87 -0.39 2.33 4.22 -1.42 -2.58 114.58 117.61 2jm5 h GLU 7 Ca -0.01 -0.56 -0.06 0.00 0.08 0.00 0.00 59.36 58.82 2jm5 h GLU 7 Cb 1.47 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.77 2jm5 h GLU 7 CO 0.09 1.19 0.00 0.00 -2.18 0.00 0.00 179.01 178.12 2jm5 h ALA 8 N 0.69 1.27 0.00 2.92 0.00 -0.78 -1.90 119.26 121.45 2jm5 h ALA 8 Ca 0.01 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 2jm5 h ALA 8 Cb 1.17 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2jm5 h ALA 8 CO 0.12 0.49 -0.24 -0.39 0.00 0.00 0.00 179.25 179.24 2jm5 h VAL 9 N 0.59 1.04 0.00 0.00 -1.51 -0.40 -1.32 116.25 114.66 2jm5 h VAL 9 Ca 0.12 -0.86 -0.07 0.00 -1.23 0.00 0.00 66.70 64.67 2jm5 h VAL 9 Cb 0.38 1.48 -0.01 0.00 -2.13 0.00 0.00 31.29 31.01 2jm5 h VAL 9 CO 0.01 0.24 -0.32 0.11 -1.23 0.00 0.00 177.57 176.37 2jm5 h LYS 10 N 0.00 0.00 0.00 5.19 1.79 -0.96 -0.87 116.57 121.72 2jm5 h LYS 10 Ca -0.00 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.42 2jm5 h LYS 10 Cb 0.46 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.10 2jm5 h LYS 10 CO 0.03 0.32 -0.21 -1.49 -1.08 0.00 0.00 179.45 177.02 2jm5 h TRP 11 N 0.00 0.00 -0.01 -1.35 6.55 -1.06 -1.42 115.95 118.66 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 0.62 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.92 2jm5 h TRP 11 CO 0.00 0.21 -0.16 0.41 -1.05 0.00 0.00 178.44 177.86 2jm5 n GLY 12 N -0.81 -0.75 0.01 1.49 0.00 -0.36 -3.41 105.19 101.35 2jm5 n GLY 12 Ca -0.02 -0.33 0.06 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.76 0.49 -3.59 1.61 -0.00 -0.75 -4.89 120.64 112.75 2jm5 n GLU 13 Ca 0.14 -0.10 -0.25 0.00 -0.00 0.00 0.00 57.16 56.95 2jm5 n GLU 13 Cb 0.31 -1.27 -0.16 0.00 -0.00 0.00 0.00 31.44 30.32 2jm5 n GLU 13 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2jm5 s SER 14 N -3.28 2.21 0.50 -1.84 0.01 -0.61 -5.00 113.70 105.68 2jm5 s SER 14 Ca -0.04 -0.56 0.16 0.00 1.31 0.00 0.00 55.95 56.82 2jm5 s SER 14 Cb 0.08 -0.14 1.23 0.00 0.21 0.00 0.00 66.02 67.40 2jm5 s SER 14 CO 0.48 -0.35 2.10 0.15 0.41 0.00 0.00 173.24 176.04 2jm5 h PHE 15 N 8.40 0.08 -0.59 2.43 3.57 -1.86 -0.95 116.94 128.03 2jm5 h PHE 15 Ca -0.15 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.33 2jm5 h PHE 15 Cb 1.15 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.83 2jm5 h PHE 15 CO 0.15 0.05 0.28 0.22 -2.23 0.00 0.00 178.31 176.78 2jm5 h ASP 16 N 0.08 0.76 -0.54 0.41 3.58 -1.95 -1.77 116.42 117.00 2jm5 h ASP 16 Ca 0.08 -0.13 -0.10 0.00 0.42 0.00 0.00 57.03 57.30 2jm5 h ASP 16 Cb 0.20 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 2jm5 h ASP 16 CO -0.01 0.68 -0.03 0.50 -2.88 0.00 0.00 179.24 177.50 2jm5 h LYS 17 N 0.80 1.01 -0.25 0.28 3.64 -1.52 0.17 116.57 120.69 2jm5 h LYS 17 Ca 0.20 -0.33 0.06 0.00 -1.27 0.00 0.00 60.65 59.32 2jm5 h LYS 17 Cb 0.11 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 31.78 2jm5 h LYS 17 CO -0.03 1.01 -0.18 1.25 -2.27 0.00 0.00 179.45 179.23 2jm5 h LEU 18 N 0.92 -0.60 -0.99 5.20 5.85 -1.11 0.13 115.31 124.71 2jm5 h LEU 18 Ca 0.16 0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.91 2jm5 h LEU 18 Cb 0.58 0.30 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 2jm5 h LEU 18 CO 0.03 -0.22 -0.43 -0.07 -0.34 0.00 0.00 178.44 177.41 2jm5 h LEU 19 N -0.17 0.00 -0.35 2.25 4.07 -1.03 0.63 115.31 120.71 2jm5 h LEU 19 Ca 0.14 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.91 2jm5 h LEU 19 Cb 0.39 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 2jm5 h LEU 19 CO -0.36 0.43 -0.82 -1.28 -1.08 0.00 0.00 178.44 175.34 2jm5 h SER 20 N 0.00 0.32 -3.38 -0.43 0.87 0.28 -3.41 113.55 107.81 2jm5 h SER 20 Ca -0.00 -0.24 -0.59 0.00 -1.23 0.00 0.00 61.79 59.72 2jm5 h SER 20 Cb 0.89 -0.10 -0.09 0.00 -0.44 0.00 0.00 62.40 62.66 2jm5 h SER 20 CO 0.06 1.01 0.26 -2.28 -0.53 0.00 0.00 176.83 175.34 2jm5 s HIS 21 N -3.37 3.35 0.36 2.24 5.04 0.35 -4.92 115.29 118.35 2jm5 s HIS 21 Ca -0.04 1.02 0.08 0.00 -1.54 0.00 0.00 55.06 54.58 2jm5 s HIS 21 Cb 0.10 -2.91 0.79 0.00 0.04 0.00 0.00 32.58 30.61 2jm5 s HIS 21 CO 0.83 -0.27 1.91 0.00 -2.34 0.00 0.00 174.74 174.87 2jm5 h ARG 22 N 7.58 0.69 0.00 2.88 -0.00 -1.82 0.27 114.38 123.98 2jm5 h ARG 22 Ca -0.28 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.98 59.09 2jm5 h ARG 22 Cb 1.13 -0.16 -0.01 0.00 0.00 0.00 0.00 29.97 30.93 2jm5 h ARG 22 CO 0.81 0.46 -0.30 -0.44 0.00 0.00 0.00 179.97 180.49 2jm5 h ASP 23 N 0.71 0.00 0.13 7.04 3.32 -1.91 -0.92 116.42 124.80 2jm5 h ASP 23 Ca 0.38 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 57.12 2jm5 h ASP 23 Cb 0.52 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.07 2jm5 h ASP 23 CO -0.15 0.30 -1.64 1.23 -1.72 0.00 0.00 179.24 177.26 2jm5 h GLY 24 N 1.29 0.32 0.95 2.75 0.00 -0.70 -1.50 103.07 106.18 2jm5 h GLY 24 Ca -0.00 -0.81 0.07 0.00 0.00 0.00 0.00 47.33 46.58 2jm5 h GLY 24 CO 0.04 0.71 0.52 -2.00 0.00 0.00 0.00 176.54 175.82 2jm5 h LEU 25 N -0.14 0.75 -0.36 3.11 6.46 0.16 0.18 115.31 125.49 2jm5 h LEU 25 Ca -0.35 0.01 -0.14 0.00 -0.12 0.00 0.00 57.88 57.28 2jm5 h LEU 25 Cb 1.90 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 41.66 2jm5 h LEU 25 CO 0.08 0.48 -0.32 -0.08 -0.62 0.00 0.00 178.44 177.99 2jm5 h GLU 26 N 0.85 0.84 -0.62 1.25 4.57 -1.22 0.12 114.58 120.37 2jm5 h GLU 26 Ca 0.35 -0.43 -0.03 0.00 -1.18 0.00 0.00 59.36 58.06 2jm5 h GLU 26 Cb 0.26 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.83 2jm5 h GLU 26 CO -0.12 1.07 0.25 0.00 -1.18 0.00 0.00 179.01 179.03 2jm5 h ALA 27 N 0.76 0.81 -0.10 2.92 0.00 0.02 -0.79 119.26 122.88 2jm5 h ALA 27 Ca 0.06 -0.17 -0.22 0.00 0.00 0.00 0.00 54.91 54.58 2jm5 h ALA 27 Cb 0.90 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.45 2jm5 h ALA 27 CO 0.08 0.42 -0.83 0.35 0.00 0.00 0.00 179.25 179.27 2jm5 h PHE 28 N 0.87 0.90 -0.19 0.00 3.57 -0.66 -2.21 116.94 119.23 2jm5 h PHE 28 Ca 0.21 -0.42 -0.09 0.00 3.53 0.00 0.00 57.97 61.19 2jm5 h PHE 28 Cb 0.20 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 2jm5 h PHE 28 CO 0.01 1.24 -0.28 0.00 -2.23 0.00 0.00 178.31 177.05 2jm5 h THR 29 N 0.43 1.26 -0.48 4.41 1.03 -0.54 -0.07 112.91 118.95 2jm5 h THR 29 Ca -0.06 -1.26 -0.12 0.00 -0.01 0.00 0.00 66.41 64.96 2jm5 h THR 29 Cb 1.45 1.43 -0.01 0.00 -1.07 0.00 0.00 68.15 69.95 2jm5 h THR 29 CO 0.16 0.39 -0.16 0.03 -0.01 0.00 0.00 175.52 175.93 2jm5 h ARG 30 N 0.31 0.96 -0.45 0.00 3.08 -1.02 0.30 114.38 117.58 2jm5 h ARG 30 Ca 0.05 -0.39 -0.00 0.00 0.07 0.00 0.00 59.98 59.70 2jm5 h ARG 30 Cb 0.66 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 2jm5 h ARG 30 CO 0.05 1.06 0.27 0.35 -1.07 0.00 0.00 179.97 180.63 2jm5 h PHE 31 N 0.82 0.58 0.02 3.04 3.57 -1.04 -1.83 116.94 122.09 2jm5 h PHE 31 Ca 0.12 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 2jm5 h PHE 31 Cb 0.73 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.28 2jm5 h PHE 31 CO 0.05 0.40 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.45 2jm5 h LEU 32 N 0.59 -0.02 -1.08 0.59 4.07 -0.72 -3.20 115.31 115.54 2jm5 h LEU 32 Ca 0.16 -0.19 0.06 0.00 0.08 0.00 0.00 57.88 57.99 2jm5 h LEU 32 Cb -0.02 0.01 -0.06 0.00 1.08 0.00 0.00 40.66 41.67 2jm5 h LEU 32 CO -0.03 0.18 0.62 0.11 -1.08 0.00 0.00 178.44 178.23 2jm5 h LYS 33 N -0.22 1.10 0.00 1.13 1.57 -0.27 0.28 116.57 120.16 2jm5 h LYS 33 Ca -0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2jm5 h LYS 33 Cb 0.21 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2jm5 h LYS 33 CO 0.00 0.73 0.00 0.00 -0.57 0.00 0.00 179.45 179.61 2jm5 h THR 34 N 1.13 0.00 -0.01 -0.16 1.03 -1.33 -2.66 112.91 110.90 2jm5 h THR 34 Ca 0.40 -0.38 0.00 0.00 -0.01 0.00 0.00 66.41 66.42 2jm5 h THR 34 Cb 0.13 1.24 0.00 0.00 -1.07 0.00 0.00 68.15 68.45 2jm5 h THR 34 CO -0.15 0.00 0.00 -1.84 -0.01 0.00 0.00 175.52 173.52 2jm5 n GLU 35 N -2.63 2.20 -3.04 0.00 0.28 -0.83 -4.98 120.64 111.63 2jm5 n GLU 35 Ca 0.02 -2.04 -0.21 0.00 -0.16 0.00 0.00 57.16 54.76 2jm5 n GLU 35 Cb 0.27 -1.26 0.04 0.00 1.43 0.00 0.00 31.44 31.93 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 -0.91 -1.94 0.13 -1.84 3.01 -0.69 -4.88 117.46 110.34 2jm5 n PHE 36 Ca 0.08 0.55 0.05 0.00 1.01 0.00 0.00 57.45 59.14 2jm5 n PHE 36 Cb 0.45 -4.30 0.08 0.00 -0.01 0.00 0.00 39.48 35.70 2jm5 n PHE 36 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2jm5 n SER 37 N -2.23 2.25 0.31 4.37 2.88 0.89 -4.61 113.62 117.48 2jm5 n SER 37 Ca -0.09 -1.68 0.19 0.00 -1.33 0.00 0.00 58.87 55.96 2jm5 n SER 37 Cb 0.60 -0.09 1.03 0.00 -0.75 0.00 0.00 64.21 65.00 2jm5 n SER 37 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2jm5 h GLU 38 N 1.74 0.00 -0.73 -1.46 9.09 -1.84 -2.21 114.58 119.17 2jm5 h GLU 38 Ca 0.00 0.00 0.21 0.00 0.05 0.00 0.00 59.36 59.62 2jm5 h GLU 38 Cb 0.53 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.60 2jm5 h GLU 38 CO 0.00 0.00 0.57 1.05 0.05 0.00 0.00 179.01 180.68 2jm5 h GLU 39 N 0.00 0.00 0.29 1.06 4.11 -1.91 0.16 114.58 118.29 2jm5 h GLU 39 Ca 0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.43 2jm5 h GLU 39 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2jm5 h GLU 39 CO -0.00 0.00 -0.14 -0.91 0.07 0.00 0.00 179.01 178.03 2jm5 h ASN 40 N 0.00 -0.33 -0.26 3.06 2.35 -1.79 -0.11 115.58 118.51 2jm5 h ASN 40 Ca 0.35 -0.12 -0.12 0.00 -0.55 0.00 0.00 56.30 55.86 2jm5 h ASN 40 Cb 1.48 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.93 2jm5 h ASN 40 CO -0.00 0.16 -0.26 -0.29 -1.65 0.00 0.00 177.43 175.38 2jm5 h ILE 41 N -1.04 1.27 0.00 2.81 2.10 -1.66 -1.55 117.51 119.44 2jm5 h ILE 41 Ca -0.04 -1.38 0.00 0.00 1.08 0.00 0.00 64.86 64.52 2jm5 h ILE 41 Cb 0.42 1.27 0.00 0.00 -1.09 0.00 0.00 36.82 37.43 2jm5 h ILE 41 CO 0.06 0.46 0.00 -0.62 -1.08 0.00 0.00 178.15 176.97 2jm5 n GLU 42 N -4.10 0.13 0.29 2.19 1.02 0.53 -0.62 120.64 120.09 2jm5 n GLU 42 Ca -0.00 0.03 -0.12 0.00 -0.02 0.00 0.00 57.16 57.04 2jm5 n GLU 42 Cb 0.45 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.31 2jm5 n GLU 42 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2jm5 h PHE 43 N 0.00 -0.74 0.00 -0.32 3.57 0.04 -1.59 116.94 117.90 2jm5 h PHE 43 Ca 0.00 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 2jm5 h PHE 43 Cb 0.40 0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.38 2jm5 h PHE 43 CO 0.00 -0.46 -0.09 0.11 -2.23 0.00 0.00 178.31 175.64 2jm5 h TRP 44 N -1.21 0.00 -0.10 0.41 5.08 -1.41 -2.43 115.95 116.29 2jm5 h TRP 44 Ca -0.08 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 59.83 2jm5 h TRP 44 Cb 0.61 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.76 2jm5 h TRP 44 CO 0.00 0.09 -0.20 0.82 -1.28 0.00 0.00 178.44 177.87 2jm5 h ILE 45 N 0.00 1.20 -0.35 0.12 2.04 -0.96 0.25 117.51 119.81 2jm5 h ILE 45 Ca -0.00 -0.92 -0.02 0.00 1.00 0.00 0.00 64.86 64.92 2jm5 h ILE 45 Cb 1.01 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 2jm5 h ILE 45 CO 0.01 0.28 0.13 0.00 0.00 0.00 0.00 178.15 178.57 2jm5 h ALA 46 N 1.63 0.46 0.00 1.87 0.00 -0.80 -1.37 119.26 121.05 2jm5 h ALA 46 Ca 0.03 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2jm5 h ALA 46 Cb 0.46 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2jm5 h ALA 46 CO 0.03 0.07 -0.12 0.00 0.00 0.00 0.00 179.25 179.23 2jm5 h GLU 48 N 0.00 0.51 -0.30 0.00 4.39 -0.48 0.37 114.58 119.07 2jm5 h GLU 48 Ca -0.00 -0.77 -0.07 0.00 0.34 0.00 0.00 59.36 58.85 2jm5 h GLU 48 Cb 0.31 0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 2jm5 h GLU 48 CO 0.02 1.36 -0.13 0.22 -1.16 0.00 0.00 179.01 179.31 2jm5 h ASP 49 N 0.19 0.50 -0.13 1.42 3.58 -0.80 -1.91 116.42 119.27 2jm5 h ASP 49 Ca -0.20 -0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.10 2jm5 h ASP 49 Cb 2.00 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 42.91 2jm5 h ASP 49 CO 0.24 0.66 -0.02 0.15 -2.88 0.00 0.00 179.24 177.40 2jm5 h PHE 50 N 0.48 0.26 0.00 0.28 3.57 -0.77 -3.06 116.94 117.70 2jm5 h PHE 50 Ca 0.09 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2jm5 h PHE 50 Cb 0.51 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.18 2jm5 h PHE 50 CO 0.02 0.50 0.00 1.57 -2.23 0.00 0.00 178.31 178.17 2jm5 h LYS 51 N -0.06 0.00 0.00 1.11 5.09 0.05 -1.30 116.57 121.46 2jm5 h LYS 51 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.77 2jm5 h LYS 51 Cb 0.41 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.74 2jm5 h LYS 51 CO 0.01 0.00 0.00 -0.22 -2.09 0.00 0.00 179.45 177.15 2jm5 h LYS 52 N 0.00 0.00 -7.30 0.07 3.64 -1.24 -3.44 116.57 108.29 2jm5 h LYS 52 Ca 0.00 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.87 2jm5 h LYS 52 Cb 0.27 0.00 0.09 0.00 -0.41 0.00 0.00 32.23 32.17 2jm5 h LYS 52 CO 0.00 0.00 0.37 -1.12 -2.27 0.00 0.00 179.45 176.43 2jm5 s SER 53 N -4.94 5.47 0.00 4.20 0.01 -0.49 -4.97 113.70 112.98 2jm5 s SER 53 Ca -0.01 1.67 0.00 0.00 1.31 0.00 0.00 55.95 58.92 2jm5 s SER 53 Cb 0.10 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.82 2jm5 s SER 53 CO 0.40 -1.38 0.14 2.29 0.41 0.00 0.00 173.24 175.10 2jm5 n LYS 54 N -2.86 0.39 -3.55 12.44 -0.00 -1.26 -5.01 118.16 118.31 2jm5 n LYS 54 Ca 0.08 -0.14 -0.41 0.00 -0.00 0.00 0.00 58.31 57.84 2jm5 n LYS 54 Cb 0.53 -0.56 -0.11 0.00 -0.00 0.00 0.00 35.03 34.89 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 -0.10 1.95 0.54 2.58 0.00 -1.26 -4.97 107.32 106.07 2jm5 s GLY 55 Ca 0.00 -1.63 0.21 0.00 0.00 0.00 0.00 44.72 43.30 2jm5 s GLY 55 CO 0.00 0.84 2.12 -2.55 0.00 0.00 0.00 173.10 173.51 2jm5 h PRO 56 N 8.50 0.00 -0.33 2.90 0.11 -1.98 -0.45 132.00 140.75 2jm5 h PRO 56 Ca -0.28 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.79 2jm5 h PRO 56 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2jm5 h PRO 56 CO 0.68 0.00 0.03 -0.56 -0.21 0.00 0.00 178.00 177.94 2jm5 h GLN 57 N 0.00 0.56 -0.37 1.05 -0.00 -2.00 -1.12 115.11 113.22 2jm5 h GLN 57 Ca 0.07 -0.16 -0.07 0.00 -0.00 0.00 0.00 58.65 58.49 2jm5 h GLN 57 Cb 0.29 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.48 27.69 2jm5 h GLN 57 CO -0.00 0.66 -0.04 0.37 -0.00 0.00 0.00 178.83 179.81 2jm5 h GLN 58 N 0.38 0.61 -0.65 0.06 5.75 -1.56 -2.00 115.11 117.70 2jm5 h GLN 58 Ca 0.10 -0.16 0.00 0.00 -0.15 0.00 0.00 58.65 58.44 2jm5 h GLN 58 Cb 0.39 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.83 2jm5 h GLN 58 CO 0.01 0.66 0.41 0.82 -2.65 0.00 0.00 178.83 178.09 2jm5 h ILE 59 N 0.57 1.18 -0.44 2.39 2.04 -0.82 0.20 117.51 122.63 2jm5 h ILE 59 Ca 0.11 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.65 2jm5 h ILE 59 Cb 0.43 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 2jm5 h ILE 59 CO 0.02 0.17 0.24 0.45 0.00 0.00 0.00 178.15 179.03 2jm5 h HIS 60 N 0.88 0.44 0.56 1.37 3.86 -0.47 0.80 115.15 122.58 2jm5 h HIS 60 Ca 0.23 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.43 2jm5 h HIS 60 Cb -0.07 -0.13 0.01 0.00 1.06 0.00 0.00 27.41 28.27 2jm5 h HIS 60 CO -0.02 0.24 -0.27 -0.07 0.86 0.00 0.00 177.93 178.66 2jm5 h LEU 61 N 0.48 -0.64 -0.35 2.43 3.38 -1.07 -1.75 115.31 117.79 2jm5 h LEU 61 Ca 0.18 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.25 2jm5 h LEU 61 Cb 0.06 0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 2jm5 h LEU 61 CO -0.11 -0.41 -0.13 0.11 0.09 0.00 0.00 178.44 177.99 2jm5 h LYS 62 N -0.85 -0.06 0.08 1.13 1.79 -0.62 -0.04 116.57 118.00 2jm5 h LYS 62 Ca -0.08 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.39 2jm5 h LYS 62 Cb 0.58 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 2jm5 h LYS 62 CO 0.13 -0.04 -0.04 0.00 -1.08 0.00 0.00 179.45 178.42 2jm5 h ALA 63 N 1.23 -0.10 0.00 3.86 0.00 -0.88 -1.21 119.26 122.17 2jm5 h ALA 63 Ca 0.17 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2jm5 h ALA 63 Cb 0.33 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2jm5 h ALA 63 CO -0.39 -0.54 -0.23 -0.22 0.00 0.00 0.00 179.25 177.87 2jm5 h LYS 64 N -0.14 0.00 0.20 0.00 3.64 -1.08 0.31 116.57 119.50 2jm5 h LYS 64 Ca -0.01 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2jm5 h LYS 64 Cb 0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2jm5 h LYS 64 CO 0.02 0.23 -0.10 0.00 -2.27 0.00 0.00 179.45 177.33 2jm5 h ALA 65 N 1.77 -0.27 -0.87 5.00 0.00 -0.68 -2.05 119.26 122.16 2jm5 h ALA 65 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2jm5 h ALA 65 Cb 0.69 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 2jm5 h ALA 65 CO 0.03 -0.47 0.50 0.82 0.00 0.00 0.00 179.25 180.13 2jm5 h ILE 66 N -0.64 1.25 0.16 0.00 2.04 -0.68 -1.58 117.51 118.05 2jm5 h ILE 66 Ca -0.03 -0.58 0.01 0.00 1.00 0.00 0.00 64.86 65.26 2jm5 h ILE 66 Cb 0.46 0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 2jm5 h ILE 66 CO 0.05 0.27 -0.49 0.22 0.00 0.00 0.00 178.15 178.19 2jm5 h TYR 67 N 1.21 -1.42 0.00 1.37 3.20 -0.40 0.01 116.97 120.93 2jm5 h TYR 67 Ca 0.31 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.21 2jm5 h TYR 67 Cb -0.01 0.60 0.00 0.00 1.54 0.00 0.00 36.73 38.86 2jm5 h TYR 67 CO 0.00 -0.57 0.00 0.39 -1.64 0.00 0.00 178.16 176.35 2jm5 n GLU 68 N -5.27 0.10 0.02 1.82 1.02 -0.77 -0.42 120.64 117.14 2jm5 n GLU 68 Ca -0.08 0.22 -0.06 0.00 -0.02 0.00 0.00 57.16 57.21 2jm5 n GLU 68 Cb 0.39 -1.65 -0.12 0.00 -0.02 0.00 0.00 31.44 30.04 2jm5 n GLU 68 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2jm5 h LYS 69 N 0.00 0.00 0.00 3.49 1.63 -0.83 -3.40 116.57 117.46 2jm5 h LYS 69 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2jm5 h LYS 69 Cb 0.45 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.08 2jm5 h LYS 69 CO 0.00 0.60 -0.07 1.19 -3.45 0.00 0.00 179.45 177.72 2jm5 n PHE 70 N -3.12 -1.42 0.27 1.91 3.72 -0.05 -3.17 117.46 115.59 2jm5 n PHE 70 Ca -0.10 0.25 0.13 0.00 -0.05 0.00 0.00 57.45 57.68 2jm5 n PHE 70 Cb 0.97 0.40 0.74 0.00 -0.94 0.00 0.00 39.48 40.65 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 0.52 -4.01 4.37 1.08 -0.78 -2.98 117.51 115.71 2jm5 h ILE 71 Ca 0.00 -0.52 -0.52 0.00 -0.39 0.00 0.00 64.86 63.42 2jm5 h ILE 71 Cb 0.07 1.35 0.09 0.00 -3.07 0.00 0.00 36.82 35.26 2jm5 h ILE 71 CO 0.00 0.11 0.55 -1.58 -0.69 0.00 0.00 178.15 176.54 2jm5 s GLN 72 N -4.16 3.59 0.01 2.37 2.00 0.40 -4.90 119.66 118.97 2jm5 s GLN 72 Ca -0.03 2.00 -0.11 0.00 -2.00 0.00 0.00 55.36 55.22 2jm5 s GLN 72 Cb 0.13 -2.42 -0.32 0.00 0.80 0.00 0.00 33.01 31.20 2jm5 s GLN 72 CO 0.58 -0.76 0.91 1.15 -0.50 0.00 0.00 175.29 176.67 2jm5 h THR 73 N 1.83 1.20 -0.27 -0.34 2.02 -1.92 -3.14 112.91 112.30 2jm5 h THR 73 Ca -0.50 -2.72 -0.02 0.00 0.77 0.00 0.00 66.41 63.95 2jm5 h THR 73 Cb 1.26 2.92 -0.01 0.00 -1.74 0.00 0.00 68.15 70.58 2jm5 h THR 73 CO 0.60 0.84 0.02 -0.90 0.37 0.00 0.00 175.52 176.44 2jm5 n ASP 74 N -3.62 3.14 -4.72 4.18 5.68 -1.26 -4.80 116.55 115.15 2jm5 n ASP 74 Ca -0.18 -2.44 -0.33 0.00 -0.50 0.00 0.00 54.79 51.34 2jm5 n ASP 74 Cb 1.08 -0.59 0.10 0.00 -1.14 0.00 0.00 41.12 40.57 2jm5 n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jm5 s ALA 75 N -1.77 2.03 0.40 2.12 0.00 -1.19 -4.90 121.76 118.45 2jm5 s ALA 75 Ca 0.24 0.73 0.31 0.00 0.00 0.00 0.00 51.96 53.24 2jm5 s ALA 75 Cb 0.19 -3.43 1.59 0.00 0.00 0.00 0.00 23.12 21.46 2jm5 s ALA 75 CO 0.07 -1.99 2.10 -1.00 0.00 0.00 0.00 175.76 174.94 2jm5 h PRO 76 N -0.67 0.00 0.00 0.00 0.13 -1.77 -3.32 132.00 126.36 2jm5 h PRO 76 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2jm5 h PRO 76 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2jm5 h PRO 76 CO 0.49 0.08 -0.30 1.17 -0.23 0.00 0.00 178.00 179.21 2jm5 n LYS 77 N -3.45 0.16 -0.74 0.86 3.00 -1.19 -5.12 118.16 111.68 2jm5 n LYS 77 Ca -0.02 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 2jm5 n LYS 77 Cb 0.22 -0.71 0.00 0.00 0.00 0.00 0.00 35.03 34.54 2jm5 n LYS 77 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2jm5 n GLU 78 N -3.16 -2.11 -4.30 1.64 4.07 -1.25 -5.03 120.64 110.50 2jm5 n GLU 78 Ca -0.04 1.55 -0.30 0.00 -0.06 0.00 0.00 57.16 58.31 2jm5 n GLU 78 Cb 0.15 -1.74 -0.10 0.00 -0.06 0.00 0.00 31.44 29.70 2jm5 n GLU 78 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2jm5 s VAL 79 N -2.26 3.49 0.00 6.31 1.01 -1.13 -4.98 120.40 122.85 2jm5 s VAL 79 Ca 0.00 -1.10 -0.04 0.00 0.00 0.00 0.00 61.98 60.84 2jm5 s VAL 79 Cb 0.00 -2.60 -0.19 0.00 0.00 0.00 0.00 36.38 33.59 2jm5 s VAL 79 CO 0.00 0.20 3.04 0.59 0.00 0.00 0.00 175.10 178.92 2jm5 n ASN 80 N 0.95 4.86 -4.95 3.32 3.02 -1.26 -4.85 115.26 116.35 2jm5 n ASN 80 Ca -0.14 -2.38 -0.24 0.00 -0.03 0.00 0.00 54.58 51.79 2jm5 n ASN 80 Cb 0.52 -1.25 0.05 0.00 -0.61 0.00 0.00 39.78 38.49 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 0.00 3.11 0.36 3.41 2.96 -1.26 -4.92 118.68 122.34 2jm5 s LEU 81 Ca 0.48 0.30 -0.20 0.00 -0.22 0.00 0.00 54.13 54.49 2jm5 s LEU 81 Cb 0.23 -3.08 -0.10 0.00 0.50 0.00 0.00 46.19 43.74 2jm5 s LEU 81 CO 0.00 -1.28 0.86 -0.62 -1.32 0.00 0.00 176.35 173.98 2jm5 s ASP 82 N -4.43 6.96 0.39 3.68 2.15 -1.26 -4.97 116.67 119.19 2jm5 s ASP 82 Ca 0.57 1.55 0.13 0.00 0.43 0.00 0.00 52.55 55.23 2jm5 s ASP 82 Cb -0.10 -2.48 0.77 0.00 -0.30 0.00 0.00 42.92 40.81 2jm5 s ASP 82 CO 0.42 -0.22 1.86 2.19 -0.17 0.00 0.00 175.17 179.25 2jm5 h PHE 83 N 2.38 0.03 0.06 -5.34 -0.00 -1.98 -1.96 116.94 110.13 2jm5 h PHE 83 Ca -0.48 -0.00 -0.24 0.00 -0.00 0.00 0.00 57.97 57.24 2jm5 h PHE 83 Cb 1.18 -0.01 -0.01 0.00 -0.00 0.00 0.00 35.95 37.11 2jm5 h PHE 83 CO 0.62 0.34 -1.10 1.25 -0.00 0.00 0.00 178.31 179.42 2jm5 h HIS 84 N 0.02 0.29 0.43 6.09 6.17 -1.98 -2.23 115.15 123.94 2jm5 h HIS 84 Ca 0.00 -0.20 -0.02 0.00 0.71 0.00 0.00 60.37 60.86 2jm5 h HIS 84 Cb 0.57 -0.01 0.00 0.00 2.52 0.00 0.00 27.41 30.49 2jm5 h HIS 84 CO 0.00 1.13 -0.21 1.15 0.71 0.00 0.00 177.93 180.72 2jm5 h THR 85 N 0.05 0.57 -0.47 6.26 2.02 -1.84 -1.38 112.91 118.12 2jm5 h THR 85 Ca -0.08 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 2jm5 h THR 85 Cb 1.83 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.89 2jm5 h THR 85 CO 0.17 0.04 0.25 0.07 0.37 0.00 0.00 175.52 176.42 2jm5 h LYS 86 N -0.71 0.65 0.07 6.66 2.10 -1.45 -2.17 116.57 121.72 2jm5 h LYS 86 Ca -0.06 -0.07 0.02 0.00 -2.00 0.00 0.00 60.65 58.55 2jm5 h LYS 86 Cb 0.51 -0.13 -0.04 0.00 -0.90 0.00 0.00 32.23 31.67 2jm5 h LYS 86 CO 0.10 0.49 -0.26 1.49 -2.00 0.00 0.00 179.45 179.27 2jm5 h GLU 87 N 0.65 -0.42 -0.70 0.07 4.57 -1.15 0.22 114.58 117.81 2jm5 h GLU 87 Ca 0.17 0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.36 2jm5 h GLU 87 Cb 0.04 0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 2jm5 h GLU 87 CO -0.03 -0.28 0.36 0.28 -1.18 0.00 0.00 179.01 178.16 2jm5 h VAL 88 N -0.44 1.22 -0.51 0.32 2.07 -0.81 -1.94 116.25 116.16 2jm5 h VAL 88 Ca 0.04 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 2jm5 h VAL 88 Cb 0.48 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 2jm5 h VAL 88 CO -0.17 0.25 0.15 0.40 0.02 0.00 0.00 177.57 178.22 2jm5 h ILE 89 N 0.99 1.23 -0.71 4.57 2.04 -0.78 -0.51 117.51 124.33 2jm5 h ILE 89 Ca 0.25 -0.80 0.04 0.00 1.00 0.00 0.00 64.86 65.35 2jm5 h ILE 89 Cb 0.07 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 2jm5 h ILE 89 CO -0.04 0.29 0.47 0.71 0.00 0.00 0.00 178.15 179.58 2jm5 h THR 90 N 0.70 1.09 0.00 -0.27 1.35 0.19 0.28 112.91 116.24 2jm5 h THR 90 Ca 0.16 -0.28 -0.09 0.00 -0.55 0.00 0.00 66.41 65.65 2jm5 h THR 90 Cb 0.29 0.18 -0.01 0.00 -1.73 0.00 0.00 68.15 66.88 2jm5 h THR 90 CO -0.00 0.15 -0.72 0.78 -0.25 0.00 0.00 175.52 175.47 2jm5 h ASN 91 N 0.83 0.00 -0.35 5.36 2.35 -1.16 -3.30 115.58 119.31 2jm5 h ASN 91 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 2jm5 h ASN 91 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 2jm5 h ASN 91 CO -0.08 0.37 0.00 -1.20 -1.65 0.00 0.00 177.43 174.87 2jm5 n SER 92 N -3.04 3.17 0.13 5.81 7.64 -0.23 -4.29 113.62 122.81 2jm5 n SER 92 Ca -0.01 -1.91 0.02 0.00 1.01 0.00 0.00 58.87 57.98 2jm5 n SER 92 Cb 0.70 -0.23 0.01 0.00 -1.01 0.00 0.00 64.21 63.69 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 3.61 0.81 0.00 0.44 6.09 -0.57 -2.87 117.51 125.02 2jm5 h ILE 93 Ca 0.00 -2.18 -0.03 0.00 -1.37 0.00 0.00 64.86 61.28 2jm5 h ILE 93 Cb 0.86 2.37 -0.00 0.00 0.47 0.00 0.00 36.82 40.51 2jm5 h ILE 93 CO 0.00 0.46 -0.13 0.00 -3.07 0.00 0.00 178.15 175.41 2jm5 h THR 94 N 0.00 0.66 -2.27 2.19 1.03 -1.79 -3.29 112.91 109.44 2jm5 h THR 94 Ca -0.02 -0.57 -0.58 0.00 -0.01 0.00 0.00 66.41 65.23 2jm5 h THR 94 Cb 1.41 1.35 -0.39 0.00 -1.07 0.00 0.00 68.15 69.45 2jm5 h THR 94 CO 0.06 0.13 -0.95 0.00 -0.01 0.00 0.00 175.52 174.75 2jm5 n GLN 95 N -3.74 0.81 -1.46 0.00 10.64 -1.10 -5.08 117.38 117.46 2jm5 n GLN 95 Ca -0.02 -3.48 -0.29 0.00 -1.83 0.00 0.00 57.00 51.38 2jm5 n GLN 95 Cb 0.24 -1.61 0.16 0.00 -0.86 0.00 0.00 30.24 28.17 2jm5 n GLN 95 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 2jm5 s PRO 96 N -0.87 0.73 0.23 2.61 0.04 -1.15 -4.90 135.00 131.69 2jm5 s PRO 96 Ca 0.34 0.23 0.04 0.00 0.04 0.00 0.00 61.00 61.65 2jm5 s PRO 96 Cb 0.10 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.83 2jm5 s PRO 96 CO -0.14 -2.46 0.23 0.25 0.04 0.00 0.00 177.00 174.91 2jm5 n THR 97 N -3.94 0.00 0.02 1.26 -2.24 -1.26 -4.95 114.28 103.17 2jm5 n THR 97 Ca 0.08 -1.55 -0.10 0.00 -2.27 0.00 0.00 64.05 60.20 2jm5 n THR 97 Cb 0.59 0.81 0.03 0.00 -2.10 0.00 0.00 70.33 69.66 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 0.60 -5.47 3.22 -0.00 -1.92 -3.24 115.31 108.50 2jm5 h LEU 98 Ca -0.17 -0.35 -0.66 0.00 -0.00 0.00 0.00 57.88 56.70 2jm5 h LEU 98 Cb 0.82 -0.17 -0.37 0.00 -0.00 0.00 0.00 40.66 40.93 2jm5 h LEU 98 CO 0.24 1.08 -0.12 1.41 -0.00 0.00 0.00 178.44 181.05 2jm5 n HIS 99 N -3.91 3.61 0.62 1.13 8.25 -1.26 -3.96 115.22 119.71 2jm5 n HIS 99 Ca -0.04 -3.46 0.10 0.00 -0.26 0.00 0.00 57.72 54.06 2jm5 n HIS 99 Cb 0.66 -0.68 0.44 0.00 1.12 0.00 0.00 29.99 31.53 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 -0.23 0.22 -0.94 0.41 7.64 -1.22 -1.96 113.62 117.54 2jm5 n SER 100 Ca 0.37 0.54 0.01 0.00 1.01 0.00 0.00 58.87 60.80 2jm5 n SER 100 Cb 0.37 -0.59 0.21 0.00 -1.01 0.00 0.00 64.21 63.18 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 -1.73 0.81 -0.27 1.43 3.72 -1.26 -4.72 117.46 115.44 2jm5 n PHE 101 Ca 0.04 -1.42 -0.06 0.00 -0.05 0.00 0.00 57.45 55.96 2jm5 n PHE 101 Cb 0.26 -0.40 0.05 0.00 -0.94 0.00 0.00 39.48 38.45 2jm5 n PHE 101 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 2jm5 h ASP 102 N 1.04 1.04 0.67 4.37 3.04 -1.76 0.35 116.42 125.17 2jm5 h ASP 102 Ca 0.13 -0.18 -0.17 0.00 -3.24 0.00 0.00 57.03 53.57 2jm5 h ASP 102 Cb 1.47 -0.27 -0.02 0.00 -1.04 0.00 0.00 39.33 39.47 2jm5 h ASP 102 CO 0.27 0.94 -0.77 0.00 -2.04 0.00 0.00 179.24 177.65 2jm5 h ALA 103 N 1.14 0.71 -0.06 4.15 0.00 -1.85 -2.81 119.26 120.54 2jm5 h ALA 103 Ca 0.24 -0.68 -0.18 0.00 0.00 0.00 0.00 54.91 54.29 2jm5 h ALA 103 Cb 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2jm5 h ALA 103 CO -0.02 0.91 -0.75 0.00 0.00 0.00 0.00 179.25 179.40 2jm5 h ALA 104 N 1.18 0.60 -0.22 0.00 0.00 -1.74 -1.33 119.26 117.75 2jm5 h ALA 104 Ca -0.02 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2jm5 h ALA 104 Cb 1.35 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2jm5 h ALA 104 CO 0.11 0.78 0.14 0.37 0.00 0.00 0.00 179.25 180.65 2jm5 h GLN 105 N 0.24 0.30 -0.76 0.00 4.15 -0.17 0.11 115.11 118.97 2jm5 h GLN 105 Ca -0.03 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.32 2jm5 h GLN 105 Cb 1.32 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.92 2jm5 h GLN 105 CO 0.12 0.22 0.31 0.77 -1.93 0.00 0.00 178.83 178.32 2jm5 h SER 106 N 0.28 1.04 0.13 -0.69 0.02 -1.39 -0.53 113.55 112.42 2jm5 h SER 106 Ca 0.08 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2jm5 h SER 106 Cb -0.00 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 2jm5 h SER 106 CO -0.02 0.93 -0.13 0.03 -1.14 0.00 0.00 176.83 176.50 2jm5 h ARG 107 N 1.09 -0.27 -0.35 3.45 2.47 -0.71 -2.27 114.38 117.79 2jm5 h ARG 107 Ca 0.25 0.02 -0.11 0.00 -1.26 0.00 0.00 59.98 58.89 2jm5 h ARG 107 Cb 0.21 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.58 2jm5 h ARG 107 CO -0.02 -0.18 -0.22 0.28 0.56 0.00 0.00 179.97 180.39 2jm5 h VAL 108 N -0.28 1.27 -0.05 2.04 2.07 -0.67 0.39 116.25 121.02 2jm5 h VAL 108 Ca 0.00 -1.29 0.03 0.00 0.82 0.00 0.00 66.70 66.27 2jm5 h VAL 108 Cb 0.27 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 2jm5 h VAL 108 CO -0.04 0.43 -0.19 0.22 0.02 0.00 0.00 177.57 178.01 2jm5 h TYR 109 N 0.59 -0.49 -0.06 1.57 5.03 -0.93 -0.43 116.97 122.26 2jm5 h TYR 109 Ca 0.09 0.02 -0.17 0.00 2.58 0.00 0.00 58.73 61.24 2jm5 h TYR 109 Cb 0.69 0.22 -0.01 0.00 1.55 0.00 0.00 36.73 39.19 2jm5 h TYR 109 CO 0.03 -0.27 -0.72 -0.56 -1.32 0.00 0.00 178.16 175.33 2jm5 h GLN 110 N -0.28 0.30 0.26 1.82 3.07 -1.23 -1.82 115.11 117.23 2jm5 h GLN 110 Ca 0.07 -0.25 0.00 0.00 0.09 0.00 0.00 58.65 58.57 2jm5 h GLN 110 Cb 0.38 0.05 -0.04 0.00 0.08 0.00 0.00 27.48 27.95 2jm5 h GLN 110 CO -0.21 0.89 -0.52 1.25 0.09 0.00 0.00 178.83 180.33 2jm5 h LEU 111 N 0.20 -1.51 -0.40 0.06 5.85 -0.60 -1.66 115.31 117.26 2jm5 h LEU 111 Ca -0.02 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2jm5 h LEU 111 Cb 1.28 0.54 0.00 0.00 0.37 0.00 0.00 40.66 42.85 2jm5 h LEU 111 CO 0.12 -0.60 0.00 0.00 -0.34 0.00 0.00 178.44 177.62 2jm5 h MET 112 N -0.85 0.00 0.79 1.25 -0.00 -1.11 -3.07 114.93 111.95 2jm5 h MET 112 Ca -0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.64 2jm5 h MET 112 Cb 0.80 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.41 2jm5 h MET 112 CO -0.21 0.00 -0.38 1.49 -0.00 0.00 0.00 176.91 177.81 2jm5 h GLU 113 N 0.00 -1.03 0.00 -0.10 4.81 -0.86 0.38 114.58 117.79 2jm5 h GLU 113 Ca 0.00 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2jm5 h GLU 113 Cb 0.78 0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.39 2jm5 h GLU 113 CO 0.00 -0.68 0.00 0.00 -0.73 0.00 0.00 179.01 177.60 2jm5 n GLN 114 N -5.09 0.74 0.07 1.92 10.64 -0.67 -2.09 117.38 122.91 2jm5 n GLN 114 Ca -0.13 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.04 2jm5 n GLN 114 Cb 0.42 -1.31 0.00 0.00 -0.86 0.00 0.00 30.24 28.49 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 -0.81 0.56 -0.04 2.61 2.03 -1.16 -4.86 116.55 114.88 2jm5 n ASP 115 Ca 0.11 0.24 -0.08 0.00 0.52 0.00 0.00 54.79 55.57 2jm5 n ASP 115 Cb 0.05 -0.05 -0.14 0.00 -0.72 0.00 0.00 41.12 40.25 2jm5 n ASP 115 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2jm5 n SER 116 N -3.41 0.67 0.03 1.67 7.64 0.97 -3.99 113.62 117.20 2jm5 n SER 116 Ca 0.00 0.32 -0.07 0.00 1.01 0.00 0.00 58.87 60.13 2jm5 n SER 116 Cb 0.04 0.20 0.10 0.00 -1.01 0.00 0.00 64.21 63.54 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 0.54 -0.23 1.43 3.20 0.07 0.30 116.97 122.28 2jm5 h TYR 117 Ca -0.34 -0.18 -0.02 0.00 3.14 0.00 0.00 58.73 61.33 2jm5 h TYR 117 Cb 2.04 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 40.19 2jm5 h TYR 117 CO 0.00 0.87 0.06 1.79 -1.64 0.00 0.00 178.16 179.24 2jm5 h THR 118 N 0.34 1.20 -0.80 1.81 1.35 -1.72 0.11 112.91 115.19 2jm5 h THR 118 Ca 0.01 -0.64 -0.04 0.00 -0.55 0.00 0.00 66.41 65.20 2jm5 h THR 118 Cb 1.04 1.19 -0.04 0.00 -1.73 0.00 0.00 68.15 68.61 2jm5 h THR 118 CO 0.09 0.20 0.35 0.03 -0.25 0.00 0.00 175.52 175.95 2jm5 h ARG 119 N 0.19 1.17 -0.37 4.72 3.08 -1.60 -2.29 114.38 119.28 2jm5 h ARG 119 Ca 0.07 -0.19 0.02 0.00 0.07 0.00 0.00 59.98 59.95 2jm5 h ARG 119 Cb 0.25 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2jm5 h ARG 119 CO -0.00 0.92 0.21 0.35 -1.07 0.00 0.00 179.97 180.38 2jm5 h PHE 120 N 1.15 0.40 0.00 3.04 3.57 -0.03 0.20 116.94 125.27 2jm5 h PHE 120 Ca 0.27 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 2jm5 h PHE 120 Cb 0.16 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 2jm5 h PHE 120 CO 0.02 0.23 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.22 2jm5 h LEU 121 N 0.43 0.00 -1.92 0.59 3.38 -0.27 -0.73 115.31 116.81 2jm5 h LEU 121 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2jm5 h LEU 121 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2jm5 h LEU 121 CO -0.07 0.04 0.00 1.17 0.09 0.00 0.00 178.44 179.67 2jm5 n LYS 122 N -4.22 2.19 -2.34 1.13 3.00 -0.81 -4.50 118.16 112.60 2jm5 n LYS 122 Ca -0.03 -1.89 -0.34 0.00 -0.00 0.00 0.00 58.31 56.06 2jm5 n LYS 122 Cb 0.12 -1.44 -0.01 0.00 0.00 0.00 0.00 35.03 33.70 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 -1.87 6.06 0.57 3.14 1.04 0.65 -4.84 113.70 118.45 2jm5 s SER 123 Ca 0.27 1.93 0.30 0.00 0.48 0.00 0.00 55.95 58.94 2jm5 s SER 123 Cb 0.19 -2.55 1.75 0.00 0.10 0.00 0.00 66.02 65.51 2jm5 s SER 123 CO 0.29 -0.97 2.20 0.44 0.98 0.00 0.00 173.24 176.18 2jm5 h ASP 124 N 1.15 0.00 0.52 7.02 5.19 -1.89 0.63 116.42 129.03 2jm5 h ASP 124 Ca -0.49 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 55.91 2jm5 h ASP 124 Cb 1.23 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.72 2jm5 h ASP 124 CO 0.58 0.04 -0.42 0.40 -3.12 0.00 0.00 179.24 176.72 2jm5 h ILE 125 N 0.00 0.15 -0.01 0.35 2.04 -1.90 -0.12 117.51 118.02 2jm5 h ILE 125 Ca -0.00 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.69 2jm5 h ILE 125 Cb 0.12 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 2jm5 h ILE 125 CO 0.01 0.00 -0.77 0.22 0.00 0.00 0.00 178.15 177.61 2jm5 h TYR 126 N -0.93 0.13 -0.21 1.37 3.20 -1.45 -2.59 116.97 116.50 2jm5 h TYR 126 Ca -0.06 -0.07 -0.04 0.00 3.14 0.00 0.00 58.73 61.70 2jm5 h TYR 126 Cb 0.79 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 2jm5 h TYR 126 CO -0.18 0.82 -0.07 -0.07 -1.64 0.00 0.00 178.16 177.02 2jm5 h LEU 127 N 0.06 0.30 -0.85 2.82 3.38 -0.90 -1.30 115.31 118.82 2jm5 h LEU 127 Ca -0.02 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 2jm5 h LEU 127 Cb 1.35 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 2jm5 h LEU 127 CO 0.11 0.41 0.06 -0.78 0.09 0.00 0.00 178.44 178.33 2jm5 h ASP 128 N 0.31 0.88 0.79 -0.43 3.58 -0.64 0.48 116.42 121.39 2jm5 h ASP 128 Ca 0.07 -0.20 -0.04 0.00 0.42 0.00 0.00 57.03 57.28 2jm5 h ASP 128 Cb 0.32 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 2jm5 h ASP 128 CO 0.01 0.91 -0.17 -0.07 -2.88 0.00 0.00 179.24 177.04 2jm5 h LEU 129 N 0.87 0.00 0.00 2.28 3.38 -0.94 -3.34 115.31 117.56 2jm5 h LEU 129 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2jm5 h LEU 129 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2jm5 h LEU 129 CO 0.01 0.17 0.00 0.23 0.09 0.00 0.00 178.44 178.94 2jm5 n MET 130 N -3.40 0.00 0.00 1.13 2.81 -0.68 -4.21 117.12 112.77 2jm5 n MET 130 Ca -0.00 0.16 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 2jm5 n MET 130 Cb 0.36 -0.68 0.00 0.00 -0.71 0.00 0.00 33.22 32.20 2jm5 n MET 130 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2jm5 n GLU 131 N -0.98 0.00 0.00 0.03 -0.58 0.01 -4.70 120.64 114.42 2jm5 n GLU 131 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2jm5 n GLU 131 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2jm5 n GLU 131 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jm5 n GLY 132 N -1.27 3.31 3.51 0.62 0.00 -0.34 -4.77 105.19 106.25 2jm5 n GLY 132 Ca 0.00 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.40 2jm5 n GLY 132 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jm5 s ARG 133 N 0.00 0.65 0.00 1.61 1.70 -1.26 -4.87 118.95 116.78 2jm5 s ARG 133 Ca 0.00 0.96 0.16 0.00 -0.47 0.00 0.00 55.73 56.38 2jm5 s ARG 133 Cb 0.00 0.21 0.98 0.00 -0.57 0.00 0.00 34.95 35.58 2jm5 s ARG 133 CO 0.00 -0.12 1.39 -2.30 -1.08 0.00 0.00 175.30 173.19