#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 2.16 -0.39 1.43 1.75 -1.26 -4.98 119.30 118.01 2jm5 s MET 2 Ca 0.00 -0.51 -0.20 0.00 -1.25 0.00 0.00 55.69 53.73 2jm5 s MET 2 Cb 0.00 -2.00 0.01 0.00 2.84 0.00 0.00 34.83 35.69 2jm5 s MET 2 CO 0.00 -0.22 0.64 0.54 -0.65 0.00 0.00 175.02 175.33 2jm5 s VAL 3 N 1.46 4.86 0.51 10.11 0.11 -1.26 -5.03 120.40 131.16 2jm5 s VAL 3 Ca 0.04 0.36 -0.23 0.00 -2.93 0.00 0.00 61.98 59.22 2jm5 s VAL 3 Cb -0.13 -4.13 -0.06 0.00 -1.53 0.00 0.00 36.38 30.53 2jm5 s VAL 3 CO -0.09 -0.45 1.33 -0.44 -3.33 0.00 0.00 175.10 172.12 2jm5 s SER 4 N 1.90 5.55 0.57 3.54 0.01 -1.26 -4.74 113.70 119.26 2jm5 s SER 4 Ca 0.23 2.70 0.31 0.00 1.31 0.00 0.00 55.95 60.50 2jm5 s SER 4 Cb -0.14 -2.63 1.45 0.00 0.21 0.00 0.00 66.02 64.91 2jm5 s SER 4 CO 0.17 -1.37 1.84 1.55 0.41 0.00 0.00 173.24 175.84 2jm5 h PRO 5 N 1.72 0.00 0.00 12.44 0.13 -1.80 0.17 132.00 144.66 2jm5 h PRO 5 Ca -0.51 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.37 2jm5 h PRO 5 Cb 1.28 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.43 2jm5 h PRO 5 CO 0.58 0.00 -0.98 0.93 -0.23 0.00 0.00 178.00 178.31 2jm5 h GLU 6 N 0.00 0.66 -0.32 0.86 5.08 -1.92 -1.33 114.58 117.62 2jm5 h GLU 6 Ca 0.36 -0.71 -0.10 0.00 -1.00 0.00 0.00 59.36 57.91 2jm5 h GLU 6 Cb 1.64 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 31.08 2jm5 h GLU 6 CO -0.00 1.30 -0.22 1.49 -1.00 0.00 0.00 179.01 180.58 2jm5 h GLU 7 N 0.32 0.62 -0.45 2.33 4.57 -1.17 -2.59 114.58 118.20 2jm5 h GLU 7 Ca -0.12 -0.23 -0.08 0.00 -1.18 0.00 0.00 59.36 57.74 2jm5 h GLU 7 Cb 1.64 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 30.18 2jm5 h GLU 7 CO 0.19 0.79 -0.05 0.00 -1.18 0.00 0.00 179.01 178.76 2jm5 h ALA 8 N 1.22 0.62 0.00 2.92 0.00 -0.77 -2.54 119.26 120.71 2jm5 h ALA 8 Ca 0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2jm5 h ALA 8 Cb 0.67 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2jm5 h ALA 8 CO 0.05 0.46 -0.06 -0.39 0.00 0.00 0.00 179.25 179.31 2jm5 h VAL 9 N 0.68 0.85 -0.19 0.00 -1.51 -0.93 -0.89 116.25 114.25 2jm5 h VAL 9 Ca 0.12 -0.22 -0.06 0.00 -1.23 0.00 0.00 66.70 65.31 2jm5 h VAL 9 Cb 0.57 1.13 -0.01 0.00 -2.13 0.00 0.00 31.29 30.84 2jm5 h VAL 9 CO 0.03 0.06 -0.16 0.11 -1.23 0.00 0.00 177.57 176.38 2jm5 h LYS 10 N 0.00 0.32 0.00 5.19 1.79 -1.08 -1.19 116.57 121.60 2jm5 h LYS 10 Ca -0.00 -0.09 -0.07 0.00 -2.18 0.00 0.00 60.65 58.31 2jm5 h LYS 10 Cb 0.12 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 2jm5 h LYS 10 CO 0.01 0.49 -0.34 -1.49 -1.08 0.00 0.00 179.45 177.04 2jm5 h TRP 11 N 0.30 0.00 0.00 -1.35 6.55 -0.99 -2.07 115.95 118.39 2jm5 h TRP 11 Ca 0.06 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.90 2jm5 h TRP 11 Cb 0.47 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.77 2jm5 h TRP 11 CO 0.01 0.34 0.00 0.41 -1.05 0.00 0.00 178.44 178.15 2jm5 n GLY 12 N -0.26 -1.32 0.31 1.49 0.00 -0.46 -2.35 105.19 102.60 2jm5 n GLY 12 Ca -0.01 0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.99 1.77 -3.20 1.61 -0.00 -0.80 -4.92 120.64 113.12 2jm5 n GLU 13 Ca 0.04 -0.76 0.01 0.00 -0.00 0.00 0.00 57.16 56.45 2jm5 n GLU 13 Cb 0.27 -1.16 -0.03 0.00 -0.00 0.00 0.00 31.44 30.52 2jm5 n GLU 13 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2jm5 s SER 14 N -1.47 -1.02 0.50 -1.84 0.15 -0.99 -4.99 113.70 104.04 2jm5 s SER 14 Ca 0.11 0.67 0.21 0.00 0.70 0.00 0.00 55.95 57.63 2jm5 s SER 14 Cb 0.10 1.91 1.30 0.00 -1.71 0.00 0.00 66.02 67.62 2jm5 s SER 14 CO 0.28 -0.27 2.08 0.15 1.20 0.00 0.00 173.24 176.68 2jm5 h PHE 15 N 8.04 0.00 -0.41 3.44 3.57 -1.90 -1.33 116.94 128.35 2jm5 h PHE 15 Ca -0.20 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.22 2jm5 h PHE 15 Cb 1.16 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 2jm5 h PHE 15 CO 0.12 0.11 -0.02 0.22 -2.23 0.00 0.00 178.31 176.52 2jm5 h ASP 16 N 0.00 0.73 -0.59 0.41 3.58 -1.94 -2.36 116.42 116.25 2jm5 h ASP 16 Ca -0.00 -0.32 -0.06 0.00 0.42 0.00 0.00 57.03 57.07 2jm5 h ASP 16 Cb 0.24 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 2jm5 h ASP 16 CO 0.01 0.87 0.15 0.50 -2.88 0.00 0.00 179.24 177.90 2jm5 h LYS 17 N 0.57 0.94 -0.29 0.28 3.64 -1.63 -0.53 116.57 119.55 2jm5 h LYS 17 Ca 0.11 -0.22 0.06 0.00 -1.27 0.00 0.00 60.65 59.33 2jm5 h LYS 17 Cb 0.51 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.15 2jm5 h LYS 17 CO 0.02 0.86 -0.09 1.25 -2.27 0.00 0.00 179.45 179.23 2jm5 h LEU 18 N 0.85 -0.32 0.00 5.20 5.85 -1.24 -1.43 115.31 124.22 2jm5 h LEU 18 Ca 0.19 0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.00 2jm5 h LEU 18 Cb 0.34 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.57 2jm5 h LEU 18 CO 0.00 -0.12 0.00 0.18 -0.34 0.00 0.00 178.44 178.16 2jm5 n LEU 19 N -5.26 0.00 -0.46 2.25 4.32 -0.90 -1.62 117.00 115.33 2jm5 n LEU 19 Ca -0.00 0.45 0.12 0.00 -0.02 0.00 0.00 56.01 56.56 2jm5 n LEU 19 Cb 0.18 -0.45 0.19 0.00 -1.62 0.00 0.00 43.42 41.72 2jm5 n LEU 19 CO 0.19 -0.06 0.51 -1.20 -1.22 0.00 0.00 177.39 175.62 2jm5 n SER 20 N -1.45 1.75 -4.43 -1.43 7.64 -0.25 -4.72 113.62 110.73 2jm5 n SER 20 Ca 0.08 -1.36 -0.35 0.00 1.01 0.00 0.00 58.87 58.25 2jm5 n SER 20 Cb 0.28 0.26 -0.13 0.00 -1.01 0.00 0.00 64.21 63.61 2jm5 n SER 20 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2jm5 s HIS 21 N -2.39 3.03 0.21 1.43 5.04 -0.86 -5.01 115.29 116.74 2jm5 s HIS 21 Ca 0.23 -0.53 -0.10 0.00 -1.54 0.00 0.00 55.06 53.13 2jm5 s HIS 21 Cb 0.19 -2.09 0.21 0.00 0.04 0.00 0.00 32.58 30.93 2jm5 s HIS 21 CO 0.50 -0.29 1.83 0.00 -2.34 0.00 0.00 174.74 174.44 2jm5 h ARG 22 N 7.61 0.74 0.00 2.88 3.08 -1.87 0.51 114.38 127.33 2jm5 h ARG 22 Ca -0.37 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.64 2jm5 h ARG 22 Cb 1.18 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.06 2jm5 h ARG 22 CO 0.61 0.49 0.00 -0.40 -1.07 0.00 0.00 179.97 179.59 2jm5 n ASP 23 N -4.73 0.77 -0.01 7.04 5.68 -1.26 -1.24 116.55 122.79 2jm5 n ASP 23 Ca 0.08 0.63 -0.21 0.00 -0.50 0.00 0.00 54.79 54.79 2jm5 n ASP 23 Cb 0.13 -0.82 -0.13 0.00 -1.14 0.00 0.00 41.12 39.16 2jm5 n ASP 23 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2jm5 h GLY 24 N 3.21 0.23 0.82 6.12 0.00 -1.17 -0.05 103.07 112.23 2jm5 h GLY 24 Ca 0.00 -0.58 0.08 0.00 0.00 0.00 0.00 47.33 46.84 2jm5 h GLY 24 CO 0.00 0.51 0.56 -2.00 0.00 0.00 0.00 176.54 175.60 2jm5 h LEU 25 N -0.39 0.79 -0.32 3.11 6.46 0.91 0.19 115.31 126.06 2jm5 h LEU 25 Ca -0.32 0.01 -0.20 0.00 -0.12 0.00 0.00 57.88 57.26 2jm5 h LEU 25 Cb 1.70 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 41.47 2jm5 h LEU 25 CO 0.02 0.49 -0.74 -0.08 -0.62 0.00 0.00 178.44 177.50 2jm5 h GLU 26 N 0.88 0.56 -0.33 1.25 4.57 -1.22 0.20 114.58 120.50 2jm5 h GLU 26 Ca 0.39 -0.45 -0.04 0.00 -1.18 0.00 0.00 59.36 58.07 2jm5 h GLU 26 Cb 0.33 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 2jm5 h GLU 26 CO -0.15 1.08 0.05 0.00 -1.18 0.00 0.00 179.01 178.80 2jm5 h ALA 27 N 0.79 0.45 -0.23 2.92 0.00 0.43 0.14 119.26 123.76 2jm5 h ALA 27 Ca -0.04 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.51 2jm5 h ALA 27 Cb 1.33 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2jm5 h ALA 27 CO 0.14 0.15 -0.47 0.35 0.00 0.00 0.00 179.25 179.42 2jm5 h PHE 28 N 0.39 0.92 -0.57 0.00 3.57 -0.66 -2.70 116.94 117.88 2jm5 h PHE 28 Ca 0.10 -0.33 -0.09 0.00 3.53 0.00 0.00 57.97 61.18 2jm5 h PHE 28 Cb 0.37 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 2jm5 h PHE 28 CO 0.03 1.12 0.00 0.00 -2.23 0.00 0.00 178.31 177.23 2jm5 h THR 29 N 0.45 1.26 -0.39 4.41 1.03 -0.48 -0.42 112.91 118.78 2jm5 h THR 29 Ca 0.01 -1.12 -0.05 0.00 -0.01 0.00 0.00 66.41 65.24 2jm5 h THR 29 Cb 1.07 0.82 -0.02 0.00 -1.07 0.00 0.00 68.15 68.95 2jm5 h THR 29 CO 0.10 0.40 0.03 0.08 -0.01 0.00 0.00 175.52 176.13 2jm5 h ARG 30 N 0.91 0.60 -0.36 0.00 0.11 -0.68 0.84 114.38 115.79 2jm5 h ARG 30 Ca 0.17 -0.12 -0.09 0.00 0.10 0.00 0.00 59.98 60.03 2jm5 h ARG 30 Cb 0.53 -0.09 -0.02 0.00 1.11 0.00 0.00 29.97 31.50 2jm5 h ARG 30 CO 0.03 0.59 -0.14 0.35 0.10 0.00 0.00 179.97 180.90 2jm5 h PHE 31 N 0.57 0.70 0.09 4.08 3.57 -1.12 -0.64 116.94 124.20 2jm5 h PHE 31 Ca 0.12 -0.13 -0.26 0.00 3.53 0.00 0.00 57.97 61.24 2jm5 h PHE 31 Cb 0.31 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 2jm5 h PHE 31 CO 0.01 0.75 -1.17 1.25 -2.23 0.00 0.00 178.31 176.93 2jm5 h LEU 32 N 0.58 0.31 -0.40 0.59 5.85 0.52 -3.26 115.31 119.51 2jm5 h LEU 32 Ca 0.10 -0.33 -0.17 0.00 0.84 0.00 0.00 57.88 58.32 2jm5 h LEU 32 Cb 0.58 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 2jm5 h LEU 32 CO 0.04 1.25 -0.49 0.11 -0.34 0.00 0.00 178.44 179.01 2jm5 h LYS 33 N 0.06 0.82 0.00 1.25 1.57 0.82 0.16 116.57 121.25 2jm5 h LYS 33 Ca -0.10 -0.48 0.00 0.00 -1.87 0.00 0.00 60.65 58.20 2jm5 h LYS 33 Cb 1.91 0.04 0.00 0.00 0.08 0.00 0.00 32.23 34.26 2jm5 h LYS 33 CO 0.18 1.12 0.00 0.00 -0.57 0.00 0.00 179.45 180.18 2jm5 h THR 34 N 0.64 0.00 -0.24 -0.16 1.03 -1.17 0.33 112.91 113.34 2jm5 h THR 34 Ca 0.03 -0.29 0.00 0.00 -0.01 0.00 0.00 66.41 66.14 2jm5 h THR 34 Cb 1.07 1.29 0.00 0.00 -1.07 0.00 0.00 68.15 69.44 2jm5 h THR 34 CO 0.11 0.00 0.00 -1.84 -0.01 0.00 0.00 175.52 173.78 2jm5 n GLU 35 N -3.08 2.06 -3.10 0.00 0.28 -1.12 -4.97 120.64 110.70 2jm5 n GLU 35 Ca -0.01 -1.93 -0.18 0.00 -0.16 0.00 0.00 57.16 54.88 2jm5 n GLU 35 Cb 0.20 -1.40 0.05 0.00 1.43 0.00 0.00 31.44 31.72 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 1.12 -1.90 -0.52 -1.84 3.72 0.11 -4.91 117.46 113.23 2jm5 n PHE 36 Ca 0.14 0.60 0.05 0.00 -0.05 0.00 0.00 57.45 58.20 2jm5 n PHE 36 Cb 0.50 -3.97 0.09 0.00 -0.94 0.00 0.00 39.48 35.16 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 -1.82 2.35 0.30 4.37 7.64 0.53 -4.77 113.62 122.22 2jm5 n SER 37 Ca -0.04 -2.51 0.16 0.00 1.01 0.00 0.00 58.87 57.48 2jm5 n SER 37 Cb 0.57 -0.23 0.92 0.00 -1.01 0.00 0.00 64.21 64.46 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 0.29 0.00 0.00 1.43 4.11 -1.82 -2.46 114.58 116.13 2jm5 h GLU 38 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2jm5 h GLU 38 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2jm5 h GLU 38 CO 0.02 0.02 0.05 0.93 0.07 0.00 0.00 179.01 180.09 2jm5 h GLU 39 N 0.00 0.00 0.15 1.06 3.07 -1.91 -2.17 114.58 114.78 2jm5 h GLU 39 Ca -0.00 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.66 2jm5 h GLU 39 Cb 0.07 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.00 2jm5 h GLU 39 CO 0.00 0.00 -0.89 -0.91 -1.40 0.00 0.00 179.01 175.81 2jm5 h ASN 40 N 0.00 0.49 -0.25 1.42 2.35 -1.83 0.40 115.58 118.16 2jm5 h ASN 40 Ca 0.00 -0.95 -0.17 0.00 -0.55 0.00 0.00 56.30 54.63 2jm5 h ASN 40 Cb 0.09 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 2jm5 h ASN 40 CO 0.00 1.43 -0.49 -0.29 -1.65 0.00 0.00 177.43 176.42 2jm5 h ILE 41 N -0.34 1.28 0.00 2.81 2.10 -1.67 -2.01 117.51 119.69 2jm5 h ILE 41 Ca -0.16 -1.68 -0.01 0.00 1.08 0.00 0.00 64.86 64.09 2jm5 h ILE 41 Cb 1.68 1.57 -0.00 0.00 -1.09 0.00 0.00 36.82 38.99 2jm5 h ILE 41 CO 0.15 0.55 -0.03 -0.33 -1.08 0.00 0.00 178.15 177.42 2jm5 h GLU 42 N 0.65 0.00 0.74 2.19 3.07 -1.52 -2.42 114.58 117.30 2jm5 h GLU 42 Ca 0.03 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.86 2jm5 h GLU 42 Cb 1.08 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.99 2jm5 h GLU 42 CO 0.11 0.03 -0.43 0.35 -1.40 0.00 0.00 179.01 177.66 2jm5 h PHE 43 N 0.00 -1.14 0.00 4.33 3.57 -0.15 0.43 116.94 123.98 2jm5 h PHE 43 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2jm5 h PHE 43 Cb 0.70 0.40 0.00 0.00 2.79 0.00 0.00 35.95 39.84 2jm5 h PHE 43 CO 0.00 -0.66 0.00 0.11 -2.23 0.00 0.00 178.31 175.53 2jm5 h TRP 44 N -1.10 0.00 -0.35 0.41 5.08 -1.47 -1.91 115.95 116.62 2jm5 h TRP 44 Ca -0.10 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.85 2jm5 h TRP 44 Cb 0.87 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.02 2jm5 h TRP 44 CO -0.08 0.00 0.10 0.82 -1.28 0.00 0.00 178.44 178.00 2jm5 h ILE 45 N 0.00 1.15 -0.58 0.12 2.04 -1.11 0.39 117.51 119.52 2jm5 h ILE 45 Ca 0.00 -0.53 -0.07 0.00 1.00 0.00 0.00 64.86 65.27 2jm5 h ILE 45 Cb 0.75 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 2jm5 h ILE 45 CO 0.00 0.19 0.11 0.00 0.00 0.00 0.00 178.15 178.45 2jm5 h ALA 46 N 1.62 0.77 -0.15 1.87 0.00 -0.12 -0.60 119.26 122.65 2jm5 h ALA 46 Ca 0.12 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 2jm5 h ALA 46 Cb 0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2jm5 h ALA 46 CO -0.01 0.51 -0.50 0.00 0.00 0.00 0.00 179.25 179.25 2jm5 h GLU 48 N 0.32 0.72 -0.57 0.00 4.39 -0.11 0.24 114.58 119.57 2jm5 h GLU 48 Ca 0.01 -0.44 -0.03 0.00 0.34 0.00 0.00 59.36 59.24 2jm5 h GLU 48 Cb 0.99 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.66 2jm5 h GLU 48 CO 0.09 1.06 0.23 0.22 -1.16 0.00 0.00 179.01 179.45 2jm5 h ASP 49 N 0.45 0.75 -0.06 1.42 3.58 -1.06 -2.60 116.42 118.89 2jm5 h ASP 49 Ca 0.02 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.37 2jm5 h ASP 49 Cb 1.01 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.87 2jm5 h ASP 49 CO 0.09 0.67 0.00 0.15 -2.88 0.00 0.00 179.24 177.28 2jm5 h PHE 50 N 0.81 0.11 -0.34 0.28 3.57 -0.74 -2.95 116.94 117.68 2jm5 h PHE 50 Ca 0.19 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 2jm5 h PHE 50 Cb 0.15 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 2jm5 h PHE 50 CO 0.01 0.37 0.16 1.57 -2.23 0.00 0.00 178.31 178.19 2jm5 h LYS 51 N -0.18 0.46 -0.00 1.11 2.10 -0.32 -1.03 116.57 118.71 2jm5 h LYS 51 Ca 0.02 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 2jm5 h LYS 51 Cb 0.32 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 2jm5 h LYS 51 CO 0.00 0.36 -0.05 0.36 -2.00 0.00 0.00 179.45 178.13 2jm5 n LYS 52 N -4.43 0.89 -2.65 0.07 2.85 -1.00 -4.86 118.16 109.04 2jm5 n LYS 52 Ca 0.02 -0.25 -0.32 0.00 -1.05 0.00 0.00 58.31 56.71 2jm5 n LYS 52 Cb 0.11 -1.49 -0.04 0.00 -0.65 0.00 0.00 35.03 32.96 2jm5 n LYS 52 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2jm5 s SER 53 N -2.28 6.67 -0.18 -5.58 0.01 -0.39 -5.05 113.70 106.89 2jm5 s SER 53 Ca 0.35 1.45 0.01 0.00 1.31 0.00 0.00 55.95 59.08 2jm5 s SER 53 Cb 0.21 -2.46 0.04 0.00 0.21 0.00 0.00 66.02 64.02 2jm5 s SER 53 CO 0.42 -0.47 -0.11 -1.59 0.41 0.00 0.00 173.24 171.91 2jm5 s LYS 54 N -3.76 2.06 0.00 12.44 0.00 -1.26 -5.00 119.74 124.23 2jm5 s LYS 54 Ca 0.57 -0.74 0.00 0.00 0.00 0.00 0.00 55.97 55.80 2jm5 s LYS 54 Cb -0.10 -2.29 0.00 0.00 0.00 0.00 0.00 37.83 35.44 2jm5 s LYS 54 CO 0.27 -0.37 0.00 0.41 0.00 0.00 0.00 175.35 175.66 2jm5 n GLY 55 N 4.72 2.33 0.31 0.59 0.00 -1.26 -4.93 105.19 106.95 2jm5 n GLY 55 Ca -0.15 0.02 0.07 0.00 0.00 0.00 0.00 46.02 45.95 2jm5 n GLY 55 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2jm5 h PRO 56 N 0.00 0.38 -0.23 1.61 0.11 -2.00 -1.11 132.00 130.75 2jm5 h PRO 56 Ca 0.00 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.95 2jm5 h PRO 56 Cb 0.00 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.02 2jm5 h PRO 56 CO 0.00 0.25 -0.44 1.96 -0.21 0.00 0.00 178.00 179.56 2jm5 h GLN 57 N 0.39 0.58 0.00 1.05 1.08 -2.00 -1.99 115.11 114.22 2jm5 h GLN 57 Ca 0.14 -0.31 -0.02 0.00 -1.45 0.00 0.00 58.65 57.01 2jm5 h GLN 57 Cb 0.07 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.51 2jm5 h GLN 57 CO -0.03 0.91 -0.09 0.37 -0.95 0.00 0.00 178.83 179.04 2jm5 h GLN 58 N 0.47 0.00 0.08 1.46 5.75 -1.58 -1.95 115.11 119.35 2jm5 h GLN 58 Ca 0.03 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.53 2jm5 h GLN 58 Cb 0.95 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.50 2jm5 h GLN 58 CO 0.09 0.09 -0.04 0.82 -2.65 0.00 0.00 178.83 177.13 2jm5 h ILE 59 N 0.00 1.18 -0.28 2.39 1.08 -0.82 -2.67 117.51 118.38 2jm5 h ILE 59 Ca -0.00 -1.14 0.06 0.00 -0.39 0.00 0.00 64.86 63.39 2jm5 h ILE 59 Cb 0.22 1.88 -0.05 0.00 -3.07 0.00 0.00 36.82 35.80 2jm5 h ILE 59 CO 0.01 0.27 -0.06 0.45 -0.69 0.00 0.00 178.15 178.13 2jm5 h HIS 60 N -0.65 -0.13 0.30 1.37 3.86 -1.06 0.12 115.15 118.96 2jm5 h HIS 60 Ca -0.01 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 2jm5 h HIS 60 Cb 0.53 0.10 -0.00 0.00 1.06 0.00 0.00 27.41 29.10 2jm5 h HIS 60 CO 0.09 -0.11 -0.20 -0.07 0.86 0.00 0.00 177.93 178.50 2jm5 h LEU 61 N 0.01 -0.51 -1.03 2.43 3.38 -1.55 -2.39 115.31 115.65 2jm5 h LEU 61 Ca 0.14 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 2jm5 h LEU 61 Cb 0.20 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 2jm5 h LEU 61 CO -0.28 -0.30 0.26 0.11 0.09 0.00 0.00 178.44 178.32 2jm5 h LYS 62 N -0.48 0.96 -0.29 1.13 1.57 -1.38 -1.97 116.57 116.10 2jm5 h LYS 62 Ca -0.04 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.56 2jm5 h LYS 62 Cb 0.39 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 2jm5 h LYS 62 CO 0.03 0.78 0.11 0.00 -0.57 0.00 0.00 179.45 179.80 2jm5 h ALA 63 N 1.34 0.38 -0.46 3.86 0.00 -0.78 -0.18 119.26 123.43 2jm5 h ALA 63 Ca 0.22 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2jm5 h ALA 63 Cb 0.18 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2jm5 h ALA 63 CO -0.02 -0.01 0.14 -0.22 0.00 0.00 0.00 179.25 179.13 2jm5 h LYS 64 N 0.32 0.68 0.08 0.00 1.63 -1.21 0.19 116.57 118.25 2jm5 h LYS 64 Ca 0.10 -0.11 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 2jm5 h LYS 64 Cb 0.19 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 2jm5 h LYS 64 CO -0.01 0.60 -0.04 0.00 -3.45 0.00 0.00 179.45 176.55 2jm5 h ALA 65 N 1.49 -0.11 -0.76 5.00 0.00 -0.91 -1.21 119.26 122.77 2jm5 h ALA 65 Ca 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2jm5 h ALA 65 Cb 0.21 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2jm5 h ALA 65 CO -0.01 -0.40 0.41 0.82 0.00 0.00 0.00 179.25 180.07 2jm5 h ILE 66 N -0.42 1.22 0.49 0.00 2.04 -0.68 -1.91 117.51 118.25 2jm5 h ILE 66 Ca -0.01 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 2jm5 h ILE 66 Cb 0.36 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 2jm5 h ILE 66 CO 0.02 0.25 -0.36 0.22 0.00 0.00 0.00 178.15 178.28 2jm5 h TYR 67 N 1.05 -0.96 0.00 1.37 3.20 -0.55 -0.49 116.97 120.59 2jm5 h TYR 67 Ca 0.27 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.13 2jm5 h TYR 67 Cb 0.03 0.36 -0.00 0.00 1.54 0.00 0.00 36.73 38.66 2jm5 h TYR 67 CO 0.01 -0.51 -0.01 0.93 -1.64 0.00 0.00 178.16 176.94 2jm5 h GLU 68 N -0.81 0.00 0.00 1.82 4.39 -1.04 0.80 114.58 119.74 2jm5 h GLU 68 Ca -0.06 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.41 2jm5 h GLU 68 Cb 0.67 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.27 2jm5 h GLU 68 CO 0.03 0.01 -1.79 1.17 -1.16 0.00 0.00 179.01 177.27 2jm5 n LYS 69 N -3.42 0.64 0.06 2.33 4.81 -0.73 -4.54 118.16 117.32 2jm5 n LYS 69 Ca -0.03 0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 2jm5 n LYS 69 Cb 0.10 -1.70 0.00 0.00 0.02 0.00 0.00 35.03 33.45 2jm5 n LYS 69 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 2jm5 n PHE 70 N -2.82 -0.85 0.23 5.64 3.72 -0.20 -2.95 117.46 120.22 2jm5 n PHE 70 Ca -0.17 0.15 0.07 0.00 -0.05 0.00 0.00 57.45 57.45 2jm5 n PHE 70 Cb 0.94 0.29 0.54 0.00 -0.94 0.00 0.00 39.48 40.31 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 1.00 -4.01 4.37 1.08 -0.94 -2.31 117.51 116.69 2jm5 h ILE 71 Ca 0.00 -0.73 -0.51 0.00 -0.39 0.00 0.00 64.86 63.23 2jm5 h ILE 71 Cb 0.18 1.41 0.07 0.00 -3.07 0.00 0.00 36.82 35.41 2jm5 h ILE 71 CO 0.00 0.20 0.49 -1.58 -0.69 0.00 0.00 178.15 176.57 2jm5 s GLN 72 N -4.42 3.69 -0.05 2.37 2.00 -0.14 -4.86 119.66 118.25 2jm5 s GLN 72 Ca -0.03 1.80 -0.03 0.00 -2.00 0.00 0.00 55.36 55.09 2jm5 s GLN 72 Cb 0.15 -2.38 -0.27 0.00 0.80 0.00 0.00 33.01 31.31 2jm5 s GLN 72 CO 0.67 -0.61 0.66 1.15 -0.50 0.00 0.00 175.29 176.66 2jm5 h THR 73 N 1.81 0.92 -0.09 -0.34 2.02 -1.92 -3.18 112.91 112.14 2jm5 h THR 73 Ca -0.49 -2.61 0.00 0.00 0.77 0.00 0.00 66.41 64.08 2jm5 h THR 73 Cb 1.25 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 70.30 2jm5 h THR 73 CO 0.60 0.80 0.00 -0.90 0.37 0.00 0.00 175.52 176.39 2jm5 n ASP 74 N -3.43 0.79 -4.73 4.18 5.68 -1.26 -4.85 116.55 112.94 2jm5 n ASP 74 Ca -0.22 -2.03 -0.33 0.00 -0.50 0.00 0.00 54.79 51.71 2jm5 n ASP 74 Cb 1.05 -0.18 0.10 0.00 -1.14 0.00 0.00 41.12 40.94 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 -1.70 2.10 0.01 2.12 0.00 -1.20 -4.92 121.76 118.16 2jm5 s ALA 75 Ca 0.06 0.61 0.32 0.00 0.00 0.00 0.00 51.96 52.96 2jm5 s ALA 75 Cb 0.04 -3.39 1.31 0.00 0.00 0.00 0.00 23.12 21.08 2jm5 s ALA 75 CO 0.04 -1.88 1.94 -1.00 0.00 0.00 0.00 175.76 174.86 2jm5 h PRO 76 N -0.70 0.00 0.00 0.00 0.13 -1.80 -3.35 132.00 126.28 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 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2jm5 h PRO 76 CO 0.49 0.00 -0.23 1.63 -0.23 0.00 0.00 178.00 179.67 2jm5 n LYS 77 N -2.95 0.12 -0.64 0.86 4.76 -1.17 -5.12 118.16 114.02 2jm5 n LYS 77 Ca 0.01 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 2jm5 n LYS 77 Cb 0.29 -0.58 0.00 0.00 -1.84 0.00 0.00 35.03 32.90 2jm5 n LYS 77 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2jm5 n GLU 78 N -3.16 -1.72 -4.57 1.97 0.00 -1.15 -5.03 120.64 106.98 2jm5 n GLU 78 Ca -0.03 1.33 -0.27 0.00 0.00 0.00 0.00 57.16 58.19 2jm5 n GLU 78 Cb 0.12 -1.63 -0.14 0.00 0.00 0.00 0.00 31.44 29.80 2jm5 n GLU 78 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2jm5 s VAL 79 N -4.22 1.90 0.00 6.31 1.01 -0.87 -4.94 120.40 119.59 2jm5 s VAL 79 Ca 0.00 -1.43 -0.03 0.00 0.00 0.00 0.00 61.98 60.52 2jm5 s VAL 79 Cb 0.00 -1.66 -0.15 0.00 0.00 0.00 0.00 36.38 34.56 2jm5 s VAL 79 CO 0.00 0.16 2.67 0.59 0.00 0.00 0.00 175.10 178.52 2jm5 n ASN 80 N 1.48 4.52 -4.84 3.32 4.13 -1.26 -4.86 115.26 117.75 2jm5 n ASN 80 Ca -0.18 -2.29 -0.37 0.00 1.68 0.00 0.00 54.58 53.42 2jm5 n ASN 80 Cb 0.53 -1.13 -0.06 0.00 -1.54 0.00 0.00 39.78 37.58 2jm5 n ASN 80 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2jm5 s LEU 81 N 0.00 4.45 0.14 3.41 2.96 -1.26 -4.91 118.68 123.48 2jm5 s LEU 81 Ca 0.38 1.02 -0.34 0.00 -0.22 0.00 0.00 54.13 54.97 2jm5 s LEU 81 Cb 0.18 -2.79 -0.16 0.00 0.50 0.00 0.00 46.19 43.92 2jm5 s LEU 81 CO 0.00 0.27 1.26 -0.67 -1.32 0.00 0.00 176.35 175.88 2jm5 n ASP 82 N 1.54 1.60 -0.10 3.68 2.03 -1.26 -4.82 116.55 119.23 2jm5 n ASP 82 Ca -0.11 1.13 -0.06 0.00 0.52 0.00 0.00 54.79 56.27 2jm5 n ASP 82 Cb 0.52 -1.23 0.01 0.00 -0.72 0.00 0.00 41.12 39.71 2jm5 n ASP 82 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2jm5 h PHE 83 N 3.95 0.17 -0.10 -0.67 3.57 -1.98 -0.53 116.94 121.35 2jm5 h PHE 83 Ca -0.45 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 60.98 2jm5 h PHE 83 Cb 1.33 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 40.03 2jm5 h PHE 83 CO 0.57 0.06 -0.33 1.25 -2.23 0.00 0.00 178.31 177.63 2jm5 h HIS 84 N 0.24 0.21 0.23 0.41 2.76 -1.98 0.11 115.15 117.13 2jm5 h HIS 84 Ca 0.16 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 2jm5 h HIS 84 Cb 0.16 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.07 2jm5 h HIS 84 CO -0.16 0.50 -0.11 1.15 -1.30 0.00 0.00 177.93 178.00 2jm5 h THR 85 N 0.16 0.83 -0.13 6.26 2.02 -1.75 -1.24 112.91 119.07 2jm5 h THR 85 Ca 0.02 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 66.81 2jm5 h THR 85 Cb 0.66 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 2jm5 h THR 85 CO 0.05 0.08 -0.16 0.07 0.37 0.00 0.00 175.52 175.93 2jm5 h LYS 86 N -0.48 0.21 0.08 6.66 2.10 -0.83 -2.21 116.57 122.09 2jm5 h LYS 86 Ca -0.03 -0.05 0.02 0.00 -2.00 0.00 0.00 60.65 58.59 2jm5 h LYS 86 Cb 0.36 -0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 31.63 2jm5 h LYS 86 CO 0.05 0.37 -0.22 1.49 -2.00 0.00 0.00 179.45 179.14 2jm5 h GLU 87 N 0.19 -0.37 -0.73 0.07 4.81 -0.56 0.22 114.58 118.21 2jm5 h GLU 87 Ca 0.04 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2jm5 h GLU 87 Cb 0.40 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.83 2jm5 h GLU 87 CO 0.02 -0.25 0.44 0.28 -0.73 0.00 0.00 179.01 178.78 2jm5 h VAL 88 N -0.39 1.20 -0.36 0.32 2.07 -0.83 -1.93 116.25 116.33 2jm5 h VAL 88 Ca 0.04 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 67.07 2jm5 h VAL 88 Cb 0.43 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2jm5 h VAL 88 CO -0.14 0.21 0.03 0.40 0.02 0.00 0.00 177.57 178.08 2jm5 h ILE 89 N 1.00 1.25 -0.05 4.57 2.04 -0.88 0.39 117.51 125.83 2jm5 h ILE 89 Ca 0.26 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 65.20 2jm5 h ILE 89 Cb -0.05 1.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 2jm5 h ILE 89 CO -0.05 0.31 0.03 0.71 0.00 0.00 0.00 178.15 179.15 2jm5 h THR 90 N 0.45 1.01 0.00 -0.27 1.35 0.16 0.31 112.91 115.92 2jm5 h THR 90 Ca 0.11 -0.02 -0.08 0.00 -0.55 0.00 0.00 66.41 65.86 2jm5 h THR 90 Cb 0.42 0.95 -0.01 0.00 -1.73 0.00 0.00 68.15 67.77 2jm5 h THR 90 CO 0.01 0.01 -1.12 0.78 -0.25 0.00 0.00 175.52 174.95 2jm5 h ASN 91 N 0.06 0.00 -0.01 5.36 2.35 -1.08 -3.36 115.58 118.89 2jm5 h ASN 91 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2jm5 h ASN 91 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2jm5 h ASN 91 CO -0.00 0.29 -0.20 -1.20 -1.65 0.00 0.00 177.43 174.67 2jm5 n SER 92 N -2.82 1.89 0.24 5.81 7.64 0.10 -4.40 113.62 122.07 2jm5 n SER 92 Ca -0.04 -1.45 0.12 0.00 1.01 0.00 0.00 58.87 58.51 2jm5 n SER 92 Cb 0.69 0.29 0.52 0.00 -1.01 0.00 0.00 64.21 64.70 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 2.31 0.44 0.00 0.44 6.09 -0.58 -1.23 117.51 124.97 2jm5 h ILE 93 Ca 0.00 -0.95 0.00 0.00 -1.37 0.00 0.00 64.86 62.54 2jm5 h ILE 93 Cb 0.59 1.69 0.00 0.00 0.47 0.00 0.00 36.82 39.57 2jm5 h ILE 93 CO 0.00 0.17 0.00 0.00 -3.07 0.00 0.00 178.15 175.25 2jm5 h THR 94 N 0.00 0.00 -1.17 2.19 1.03 -1.82 -3.32 112.91 109.82 2jm5 h THR 94 Ca -0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 66.41 66.09 2jm5 h THR 94 Cb 0.67 0.99 -0.23 0.00 -1.07 0.00 0.00 68.15 68.52 2jm5 h THR 94 CO 0.02 0.00 -0.66 0.00 -0.01 0.00 0.00 175.52 174.87 2jm5 n GLN 95 N -3.07 0.54 -2.16 0.00 10.64 -0.48 -5.14 117.38 117.70 2jm5 n GLN 95 Ca -0.03 -2.34 -0.32 0.00 -1.83 0.00 0.00 57.00 52.48 2jm5 n GLN 95 Cb 0.07 -1.48 -0.01 0.00 -0.86 0.00 0.00 30.24 27.95 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 0.43 3.75 0.14 2.61 0.04 -1.16 -4.93 135.00 135.88 2jm5 s PRO 96 Ca 0.32 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.26 2jm5 s PRO 96 Cb 0.08 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2jm5 s PRO 96 CO -0.13 -0.44 0.01 0.25 0.04 0.00 0.00 177.00 176.72 2jm5 n THR 97 N -2.06 0.00 -0.21 1.26 -2.24 -1.26 -4.84 114.28 104.92 2jm5 n THR 97 Ca 0.07 -0.64 -0.09 0.00 -2.27 0.00 0.00 64.05 61.12 2jm5 n THR 97 Cb 0.54 0.10 0.03 0.00 -2.10 0.00 0.00 70.33 68.89 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 1.06 -4.95 3.22 -0.00 -1.91 -2.66 115.31 110.07 2jm5 h LEU 98 Ca -0.11 -0.31 -0.74 0.00 -0.00 0.00 0.00 57.88 56.71 2jm5 h LEU 98 Cb 0.34 -0.29 -0.30 0.00 -0.00 0.00 0.00 40.66 40.42 2jm5 h LEU 98 CO 0.18 1.12 0.76 1.41 -0.00 0.00 0.00 178.44 181.92 2jm5 n HIS 99 N -4.17 3.05 -0.01 1.13 8.25 -1.26 -3.52 115.22 118.69 2jm5 n HIS 99 Ca 0.03 -2.46 -0.02 0.00 -0.26 0.00 0.00 57.72 55.00 2jm5 n HIS 99 Cb 0.36 -1.00 0.23 0.00 1.12 0.00 0.00 29.99 30.70 2jm5 n HIS 99 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2jm5 h SER 100 N 2.95 0.53 -0.40 0.41 4.64 -1.85 -2.52 113.55 117.31 2jm5 h SER 100 Ca 0.52 -0.14 -0.16 0.00 -0.47 0.00 0.00 61.79 61.54 2jm5 h SER 100 Cb 0.18 -0.14 -0.10 0.00 -0.31 0.00 0.00 62.40 62.03 2jm5 h SER 100 CO 1.33 0.68 0.03 0.49 -0.87 0.00 0.00 176.83 178.50 2jm5 n PHE 101 N -4.20 1.30 -0.17 4.77 3.72 -1.26 -4.75 117.46 116.87 2jm5 n PHE 101 Ca 0.01 -1.40 -0.03 0.00 -0.05 0.00 0.00 57.45 55.98 2jm5 n PHE 101 Cb 0.33 -0.49 0.07 0.00 -0.94 0.00 0.00 39.48 38.44 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 1.30 0.19 -0.38 4.37 1.82 -1.79 0.52 116.42 122.45 2jm5 h ASP 102 Ca 0.20 0.06 -0.10 0.00 -0.39 0.00 0.00 57.03 56.80 2jm5 h ASP 102 Cb 1.75 0.04 -0.02 0.00 0.68 0.00 0.00 39.33 41.78 2jm5 h ASP 102 CO 0.43 0.13 -0.13 0.00 -1.61 0.00 0.00 179.24 178.06 2jm5 h ALA 103 N 1.34 0.92 0.00 -0.78 0.00 -1.85 -2.28 119.26 116.61 2jm5 h ALA 103 Ca 0.25 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 2jm5 h ALA 103 Cb 0.27 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2jm5 h ALA 103 CO -0.25 0.62 -0.69 0.00 0.00 0.00 0.00 179.25 178.94 2jm5 h ALA 104 N 1.10 0.81 -0.06 0.00 0.00 -1.59 0.44 119.26 119.97 2jm5 h ALA 104 Ca 0.12 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2jm5 h ALA 104 Cb 0.63 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2jm5 h ALA 104 CO 0.04 0.86 0.04 0.37 0.00 0.00 0.00 179.25 180.56 2jm5 h GLN 105 N 0.00 0.08 -0.42 0.00 -0.00 0.33 0.13 115.11 115.23 2jm5 h GLN 105 Ca -0.01 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.60 2jm5 h GLN 105 Cb 1.26 -0.02 -0.02 0.00 0.00 0.00 0.00 27.48 28.70 2jm5 h GLN 105 CO 0.09 0.06 0.12 1.03 0.00 0.00 0.00 178.83 180.13 2jm5 h SER 106 N 0.06 0.62 0.06 -0.69 0.87 -1.07 -2.05 113.55 111.36 2jm5 h SER 106 Ca 0.02 -0.22 0.02 0.00 -1.23 0.00 0.00 61.79 60.38 2jm5 h SER 106 Cb 0.01 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.78 2jm5 h SER 106 CO -0.00 0.67 -0.17 0.03 -0.53 0.00 0.00 176.83 176.82 2jm5 h ARG 107 N 0.54 -0.31 -0.17 2.24 2.47 -0.57 -0.01 114.38 118.56 2jm5 h ARG 107 Ca 0.13 0.02 -0.10 0.00 -1.26 0.00 0.00 59.98 58.77 2jm5 h ARG 107 Cb 0.28 0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 2jm5 h ARG 107 CO -0.00 -0.20 -0.35 0.28 0.56 0.00 0.00 179.97 180.26 2jm5 h VAL 108 N -0.32 1.29 0.38 2.04 2.07 -0.98 0.17 116.25 120.90 2jm5 h VAL 108 Ca 0.04 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.13 2jm5 h VAL 108 Cb 0.36 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 2jm5 h VAL 108 CO -0.12 0.43 -0.23 0.22 0.02 0.00 0.00 177.57 177.89 2jm5 h TYR 109 N 0.31 -0.60 -0.12 1.57 5.03 -0.98 0.70 116.97 122.88 2jm5 h TYR 109 Ca 0.04 -0.01 -0.11 0.00 2.58 0.00 0.00 58.73 61.23 2jm5 h TYR 109 Cb 0.76 0.21 -0.01 0.00 1.55 0.00 0.00 36.73 39.24 2jm5 h TYR 109 CO 0.02 -0.36 -0.43 -0.56 -1.32 0.00 0.00 178.16 175.51 2jm5 h GLN 110 N -0.58 0.28 0.33 1.82 3.07 -0.74 -0.92 115.11 118.35 2jm5 h GLN 110 Ca -0.04 -0.14 0.00 0.00 0.09 0.00 0.00 58.65 58.56 2jm5 h GLN 110 Cb 0.48 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.01 2jm5 h GLN 110 CO 0.05 0.66 -0.37 1.25 0.09 0.00 0.00 178.83 180.50 2jm5 h LEU 111 N 0.23 -1.03 -1.34 0.06 5.85 -0.51 -0.18 115.31 118.38 2jm5 h LEU 111 Ca 0.02 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 2jm5 h LEU 111 Cb 0.85 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 2jm5 h LEU 111 CO 0.07 -0.51 -0.14 0.24 -0.34 0.00 0.00 178.44 177.76 2jm5 h MET 112 N -0.74 0.27 0.51 1.25 2.86 -0.61 -1.59 114.93 116.87 2jm5 h MET 112 Ca -0.02 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 2jm5 h MET 112 Cb 0.68 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.31 2jm5 h MET 112 CO -0.09 0.42 -0.27 1.49 1.06 0.00 0.00 176.91 179.51 2jm5 h GLU 113 N 0.25 -0.69 0.00 1.72 4.22 -0.73 0.41 114.58 119.75 2jm5 h GLU 113 Ca 0.05 0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.54 2jm5 h GLU 113 Cb 0.41 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2jm5 h GLU 113 CO 0.02 -0.46 0.00 0.00 -2.18 0.00 0.00 179.01 176.39 2jm5 n GLN 114 N -4.03 0.11 -0.04 1.92 -0.00 -0.12 -2.23 117.38 113.00 2jm5 n GLN 114 Ca -0.09 0.16 -0.08 0.00 -0.00 0.00 0.00 57.00 56.99 2jm5 n GLN 114 Cb 0.29 -1.50 -0.03 0.00 -0.00 0.00 0.00 30.24 29.00 2jm5 n GLN 114 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2jm5 n ASP 115 N -1.40 0.72 -0.01 2.61 2.03 -0.61 -4.87 116.55 115.02 2jm5 n ASP 115 Ca 0.06 0.12 0.06 0.00 0.52 0.00 0.00 54.79 55.55 2jm5 n ASP 115 Cb 0.18 -0.29 -0.09 0.00 -0.72 0.00 0.00 41.12 40.20 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 -3.45 1.93 -0.02 1.67 7.64 0.91 -4.34 113.62 117.96 2jm5 n SER 116 Ca -0.15 -0.10 -0.11 0.00 1.01 0.00 0.00 58.87 59.52 2jm5 n SER 116 Cb 0.56 1.51 0.03 0.00 -1.01 0.00 0.00 64.21 65.30 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 0.82 -0.22 1.43 3.20 0.07 0.36 116.97 122.63 2jm5 h TYR 117 Ca 0.00 -0.28 -0.03 0.00 3.14 0.00 0.00 58.73 61.55 2jm5 h TYR 117 Cb 0.54 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 2jm5 h TYR 117 CO 0.00 1.04 0.01 1.79 -1.64 0.00 0.00 178.16 179.36 2jm5 h THR 118 N 0.51 1.25 -0.84 1.81 1.35 -1.80 0.16 112.91 115.35 2jm5 h THR 118 Ca 0.02 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 2jm5 h THR 118 Cb 1.08 1.38 -0.04 0.00 -1.73 0.00 0.00 68.15 68.85 2jm5 h THR 118 CO 0.11 0.27 0.54 0.03 -0.25 0.00 0.00 175.52 176.21 2jm5 h ARG 119 N 0.15 1.12 -0.22 4.72 3.08 -1.71 -2.04 114.38 119.49 2jm5 h ARG 119 Ca 0.06 -0.08 0.03 0.00 0.07 0.00 0.00 59.98 60.06 2jm5 h ARG 119 Cb 0.39 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 2jm5 h ARG 119 CO 0.01 0.76 0.03 0.35 -1.07 0.00 0.00 179.97 180.05 2jm5 h PHE 120 N 1.15 0.04 0.00 3.04 3.57 -0.00 0.19 116.94 124.93 2jm5 h PHE 120 Ca 0.31 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.82 2jm5 h PHE 120 Cb -0.10 0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.65 2jm5 h PHE 120 CO -0.01 0.00 0.00 -0.07 -2.23 0.00 0.00 178.31 176.00 2jm5 h LEU 121 N 0.11 0.00 -3.05 0.59 3.38 -0.37 -1.11 115.31 114.86 2jm5 h LEU 121 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2jm5 h LEU 121 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2jm5 h LEU 121 CO -0.15 0.00 0.00 1.17 0.09 0.00 0.00 178.44 179.55 2jm5 n LYS 122 N -3.01 2.59 -2.48 1.13 3.00 -0.67 -4.67 118.16 114.05 2jm5 n LYS 122 Ca -0.02 -2.29 -0.32 0.00 -0.00 0.00 0.00 58.31 55.68 2jm5 n LYS 122 Cb 0.15 -1.44 -0.04 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 -1.67 6.64 0.55 3.14 1.04 0.58 -4.91 113.70 119.07 2jm5 s SER 123 Ca 0.26 1.54 0.22 0.00 0.48 0.00 0.00 55.95 58.44 2jm5 s SER 123 Cb 0.20 -2.49 1.50 0.00 0.10 0.00 0.00 66.02 65.33 2jm5 s SER 123 CO 0.08 -0.55 2.19 -0.78 0.98 0.00 0.00 173.24 175.16 2jm5 h ASP 124 N 1.04 0.00 0.40 7.02 3.58 -1.90 0.48 116.42 127.04 2jm5 h ASP 124 Ca -0.47 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 56.97 2jm5 h ASP 124 Cb 1.18 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.20 2jm5 h ASP 124 CO 0.62 0.00 -0.51 0.40 -2.88 0.00 0.00 179.24 176.87 2jm5 h ILE 125 N 0.00 0.02 -0.47 2.25 2.04 -1.92 0.92 117.51 120.35 2jm5 h ILE 125 Ca -0.00 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.74 2jm5 h ILE 125 Cb 0.00 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.09 2jm5 h ILE 125 CO 0.00 0.00 -0.18 0.22 0.00 0.00 0.00 178.15 178.19 2jm5 h TYR 126 N -0.94 1.09 -0.17 1.37 3.20 -1.48 -2.22 116.97 117.82 2jm5 h TYR 126 Ca -0.05 -0.25 -0.01 0.00 3.14 0.00 0.00 58.73 61.56 2jm5 h TYR 126 Cb 0.84 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 2jm5 h TYR 126 CO -0.31 1.06 0.05 -0.07 -1.64 0.00 0.00 178.16 177.26 2jm5 h LEU 127 N 0.80 0.21 -0.67 2.82 -0.00 -0.90 -0.60 115.31 116.97 2jm5 h LEU 127 Ca 0.11 -0.01 -0.08 0.00 -0.00 0.00 0.00 57.88 57.90 2jm5 h LEU 127 Cb 0.75 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.34 2jm5 h LEU 127 CO 0.06 0.21 -0.37 -0.78 -0.00 0.00 0.00 178.44 177.56 2jm5 h ASP 128 N 0.24 0.00 -0.38 -0.43 3.58 -0.34 0.25 116.42 119.35 2jm5 h ASP 128 Ca 0.06 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.48 2jm5 h ASP 128 Cb 0.08 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 2jm5 h ASP 128 CO -0.00 0.37 0.13 -0.07 -2.88 0.00 0.00 179.24 176.79 2jm5 h LEU 129 N 0.00 0.59 0.14 2.28 3.38 -0.53 -2.93 115.31 118.24 2jm5 h LEU 129 Ca -0.00 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2jm5 h LEU 129 Cb 1.02 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2jm5 h LEU 129 CO 0.05 0.58 -0.07 0.24 0.09 0.00 0.00 178.44 179.33 2jm5 h MET 130 N 0.64 -0.18 0.00 1.13 2.86 -1.06 -3.31 114.93 115.01 2jm5 h MET 130 Ca 0.15 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 2jm5 h MET 130 Cb 0.20 0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.90 2jm5 h MET 130 CO -0.01 -0.12 0.00 -0.85 1.06 0.00 0.00 176.91 177.00 2jm5 n GLU 131 N -2.95 0.00 -2.86 1.72 -0.00 0.60 -4.55 120.64 112.60 2jm5 n GLU 131 Ca -0.02 0.00 -0.17 0.00 -0.00 0.00 0.00 57.16 56.97 2jm5 n GLU 131 Cb 0.07 0.00 0.03 0.00 -0.00 0.00 0.00 31.44 31.54 2jm5 n GLU 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2jm5 n GLY 132 N -0.82 -0.22 3.03 -1.84 0.00 0.35 -4.47 105.19 101.22 2jm5 n GLY 132 Ca 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 46.02 45.89 2jm5 n GLY 132 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jm5 s ARG 133 N -5.45 0.57 0.00 1.61 3.52 -1.26 -4.86 118.95 113.09 2jm5 s ARG 133 Ca 0.24 0.08 0.31 0.00 -0.13 0.00 0.00 55.73 56.24 2jm5 s ARG 133 Cb -0.11 -0.08 1.79 0.00 -1.56 0.00 0.00 34.95 34.99 2jm5 s ARG 133 CO 0.30 -1.09 2.17 -2.30 -0.81 0.00 0.00 175.30 173.57