#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jm5 s MET 2 N 0.00 4.04 -0.19 1.43 -2.45 -1.26 -4.87 119.30 116.00 2jm5 s MET 2 Ca 0.00 -2.69 -0.09 0.00 -1.25 0.00 0.00 55.69 51.66 2jm5 s MET 2 Cb 0.00 -4.85 0.07 0.00 1.25 0.00 0.00 34.83 31.30 2jm5 s MET 2 CO 0.00 -1.57 0.44 0.54 1.05 0.00 0.00 175.02 175.48 2jm5 s VAL 3 N 0.71 -0.19 0.41 10.11 0.11 -1.26 -4.91 120.40 125.38 2jm5 s VAL 3 Ca 0.36 0.10 -0.26 0.00 -2.93 0.00 0.00 61.98 59.25 2jm5 s VAL 3 Cb -0.06 -0.67 -0.09 0.00 -1.53 0.00 0.00 36.38 34.04 2jm5 s VAL 3 CO -0.04 0.04 1.34 -0.55 -3.33 0.00 0.00 175.10 172.56 2jm5 s SER 4 N 1.73 6.25 0.50 3.54 0.15 -1.26 -4.71 113.70 119.90 2jm5 s SER 4 Ca -0.08 2.73 0.26 0.00 0.70 0.00 0.00 55.95 59.56 2jm5 s SER 4 Cb -0.09 -2.64 1.34 0.00 -1.71 0.00 0.00 66.02 62.91 2jm5 s SER 4 CO -0.14 -0.90 1.90 1.55 1.20 0.00 0.00 173.24 176.86 2jm5 h PRO 5 N 2.66 0.13 -0.35 5.44 0.13 -1.80 0.16 132.00 138.36 2jm5 h PRO 5 Ca -0.50 -0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 64.49 2jm5 h PRO 5 Cb 1.25 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2jm5 h PRO 5 CO 0.62 0.08 -0.30 0.93 -0.23 0.00 0.00 178.00 179.11 2jm5 h GLU 6 N 0.13 0.83 -0.08 0.86 5.08 -1.90 0.74 114.58 120.24 2jm5 h GLU 6 Ca 0.41 -0.42 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 2jm5 h GLU 6 Cb 1.40 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 2jm5 h GLU 6 CO -0.06 1.05 -0.42 1.49 -1.00 0.00 0.00 179.01 180.08 2jm5 h GLU 7 N 0.62 0.17 -0.07 2.33 4.57 -1.15 -2.64 114.58 118.40 2jm5 h GLU 7 Ca 0.06 -0.08 -0.23 0.00 -1.18 0.00 0.00 59.36 57.93 2jm5 h GLU 7 Cb 0.88 -0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.48 2jm5 h GLU 7 CO 0.08 0.56 -0.89 0.00 -1.18 0.00 0.00 179.01 177.58 2jm5 h ALA 8 N 1.43 0.29 -0.02 2.92 0.00 -0.72 -3.13 119.26 120.02 2jm5 h ALA 8 Ca 0.01 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.25 2jm5 h ALA 8 Cb 0.80 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2jm5 h ALA 8 CO 0.06 0.71 -0.09 -0.39 0.00 0.00 0.00 179.25 179.55 2jm5 h VAL 9 N 0.41 1.08 0.00 0.00 -1.51 -0.51 -0.84 116.25 114.89 2jm5 h VAL 9 Ca -0.08 -0.36 -0.02 0.00 -1.23 0.00 0.00 66.70 65.00 2jm5 h VAL 9 Cb 1.52 1.16 -0.00 0.00 -2.13 0.00 0.00 31.29 31.84 2jm5 h VAL 9 CO 0.17 0.11 -0.10 0.11 -1.23 0.00 0.00 177.57 176.63 2jm5 h LYS 10 N 0.03 0.00 0.00 5.19 1.79 -1.43 -1.60 116.57 120.55 2jm5 h LYS 10 Ca 0.01 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2jm5 h LYS 10 Cb 0.18 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.83 2jm5 h LYS 10 CO 0.01 0.10 -0.01 -1.49 -1.08 0.00 0.00 179.45 176.98 2jm5 h TRP 11 N 0.00 0.00 -0.00 -1.35 6.55 -1.19 -2.10 115.95 117.86 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 0.19 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.49 2jm5 h TRP 11 CO 0.00 0.01 -0.08 0.41 -1.05 0.00 0.00 178.44 177.72 2jm5 n GLY 12 N -0.15 -1.27 0.06 1.49 0.00 -0.60 -3.81 105.19 100.91 2jm5 n GLY 12 Ca -0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 46.02 45.80 2jm5 n GLY 12 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2jm5 h GLU 13 N 0.14 0.00 -4.07 1.61 5.08 -1.48 -3.47 114.58 112.38 2jm5 h GLU 13 Ca 0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.00 2jm5 h GLU 13 Cb 0.40 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 29.34 2jm5 h GLU 13 CO 0.00 0.19 -0.76 -1.12 -1.00 0.00 0.00 179.01 176.32 2jm5 s SER 14 N -5.73 0.66 0.43 1.42 0.01 -1.25 -5.02 113.70 104.21 2jm5 s SER 14 Ca -0.06 -0.09 0.10 0.00 1.31 0.00 0.00 55.95 57.21 2jm5 s SER 14 Cb 0.00 -0.23 0.92 0.00 0.21 0.00 0.00 66.02 66.93 2jm5 s SER 14 CO 0.16 -0.01 2.01 0.15 0.41 0.00 0.00 173.24 175.96 2jm5 h PHE 15 N 6.68 0.27 -0.15 2.43 3.57 -1.92 -1.53 116.94 126.29 2jm5 h PHE 15 Ca -0.35 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.08 2jm5 h PHE 15 Cb 1.16 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 2jm5 h PHE 15 CO 0.46 0.27 -0.18 0.38 -2.23 0.00 0.00 178.31 177.00 2jm5 h ASP 16 N 0.27 0.24 -0.23 0.41 3.04 -1.95 0.20 116.42 118.39 2jm5 h ASP 16 Ca 0.06 -0.06 -0.17 0.00 -3.24 0.00 0.00 57.03 53.63 2jm5 h ASP 16 Cb 0.16 -0.06 -0.00 0.00 -1.04 0.00 0.00 39.33 38.38 2jm5 h ASP 16 CO 0.00 0.44 -0.48 0.50 -2.04 0.00 0.00 179.24 177.66 2jm5 h LYS 17 N 0.23 0.80 -0.02 4.15 3.64 -1.64 0.37 116.57 124.10 2jm5 h LYS 17 Ca 0.04 -0.47 -0.00 0.00 -1.27 0.00 0.00 60.65 58.95 2jm5 h LYS 17 Cb 0.46 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2jm5 h LYS 17 CO 0.03 1.10 0.00 1.25 -2.27 0.00 0.00 179.45 179.56 2jm5 h LEU 18 N 0.63 0.04 -0.73 5.20 5.85 -1.10 -3.21 115.31 121.99 2jm5 h LEU 18 Ca 0.03 -0.31 -0.13 0.00 0.84 0.00 0.00 57.88 58.31 2jm5 h LEU 18 Cb 1.06 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 2jm5 h LEU 18 CO 0.11 0.34 -0.52 0.25 -0.34 0.00 0.00 178.44 178.28 2jm5 h LEU 19 N -0.27 0.34 0.00 2.25 5.85 -0.51 -2.05 115.31 120.92 2jm5 h LEU 19 Ca 0.01 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.56 2jm5 h LEU 19 Cb 0.32 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.25 2jm5 h LEU 19 CO 0.00 0.79 0.00 -1.20 -0.34 0.00 0.00 178.44 177.70 2jm5 n SER 20 N -3.95 0.00 -4.43 1.25 7.64 0.11 -4.38 113.62 109.85 2jm5 n SER 20 Ca -0.02 -0.71 -0.38 0.00 1.01 0.00 0.00 58.87 58.77 2jm5 n SER 20 Cb 0.56 -0.08 -0.12 0.00 -1.01 0.00 0.00 64.21 63.56 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 -2.16 3.16 0.25 1.43 5.65 -0.79 -4.98 115.29 117.85 2jm5 s HIS 21 Ca 0.40 -0.57 -0.02 0.00 0.25 0.00 0.00 55.06 55.12 2jm5 s HIS 21 Cb 0.20 -2.32 0.50 0.00 -1.18 0.00 0.00 32.58 29.78 2jm5 s HIS 21 CO 0.37 -0.44 1.75 0.00 -0.65 0.00 0.00 174.74 175.77 2jm5 h ARG 22 N 8.31 0.54 0.00 2.88 3.08 -1.82 0.39 114.38 127.77 2jm5 h ARG 22 Ca -0.33 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.68 2jm5 h ARG 22 Cb 1.15 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.08 2jm5 h ARG 22 CO 0.60 0.36 0.00 0.22 -1.07 0.00 0.00 179.97 180.08 2jm5 h ASP 23 N 0.56 0.00 0.17 7.04 1.82 -1.91 0.28 116.42 124.38 2jm5 h ASP 23 Ca 0.44 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.77 2jm5 h ASP 23 Cb 0.63 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.65 2jm5 h ASP 23 CO -0.37 0.00 -1.55 1.23 -1.61 0.00 0.00 179.24 176.94 2jm5 h GLY 24 N 2.67 0.40 0.73 -0.78 0.00 -0.88 0.50 103.07 105.71 2jm5 h GLY 24 Ca 0.00 -1.03 0.09 0.00 0.00 0.00 0.00 47.33 46.39 2jm5 h GLY 24 CO 0.00 0.90 0.60 -2.00 0.00 0.00 0.00 176.54 176.03 2jm5 h LEU 25 N -0.06 0.87 -0.42 3.11 6.46 -0.20 0.22 115.31 125.29 2jm5 h LEU 25 Ca -0.31 0.02 -0.14 0.00 -0.12 0.00 0.00 57.88 57.33 2jm5 h LEU 25 Cb 1.96 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 41.72 2jm5 h LEU 25 CO 0.14 0.53 -0.28 -0.08 -0.62 0.00 0.00 178.44 178.13 2jm5 h GLU 26 N 0.97 0.93 -0.64 1.25 4.57 -0.92 0.21 114.58 120.96 2jm5 h GLU 26 Ca 0.42 -0.44 -0.05 0.00 -1.18 0.00 0.00 59.36 58.11 2jm5 h GLU 26 Cb 0.33 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.89 2jm5 h GLU 26 CO -0.18 1.10 0.21 0.00 -1.18 0.00 0.00 179.01 178.96 2jm5 h ALA 27 N 0.81 0.83 -0.21 2.92 0.00 0.43 -1.83 119.26 122.21 2jm5 h ALA 27 Ca 0.08 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2jm5 h ALA 27 Cb 0.86 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2jm5 h ALA 27 CO 0.08 0.49 -0.10 0.35 0.00 0.00 0.00 179.25 180.07 2jm5 h PHE 28 N 0.91 0.52 -0.31 0.00 3.57 -0.46 -2.70 116.94 118.46 2jm5 h PHE 28 Ca 0.21 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 2jm5 h PHE 28 Cb 0.28 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 2jm5 h PHE 28 CO 0.02 0.73 0.12 0.00 -2.23 0.00 0.00 178.31 176.95 2jm5 h THR 29 N 0.15 1.13 -0.65 4.41 1.03 -0.47 0.16 112.91 118.67 2jm5 h THR 29 Ca 0.05 -0.39 -0.02 0.00 -0.01 0.00 0.00 66.41 66.04 2jm5 h THR 29 Cb 0.59 0.75 -0.03 0.00 -1.07 0.00 0.00 68.15 68.40 2jm5 h THR 29 CO 0.03 0.15 0.34 0.03 -0.01 0.00 0.00 175.52 176.06 2jm5 h ARG 30 N 0.44 0.92 -0.07 0.00 3.08 -1.09 0.39 114.38 118.04 2jm5 h ARG 30 Ca 0.11 -0.12 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 2jm5 h ARG 30 Cb 0.09 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 2jm5 h ARG 30 CO -0.01 0.71 -0.71 0.35 -1.07 0.00 0.00 179.97 179.23 2jm5 h PHE 31 N 0.89 0.47 -0.15 3.04 3.57 -1.05 -2.73 116.94 120.97 2jm5 h PHE 31 Ca 0.23 -0.20 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 2jm5 h PHE 31 Cb 0.07 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 2jm5 h PHE 31 CO -0.00 0.94 -0.29 1.25 -2.23 0.00 0.00 178.31 177.98 2jm5 h LEU 32 N 0.24 0.29 -0.63 0.59 5.85 0.17 -2.32 115.31 119.50 2jm5 h LEU 32 Ca -0.03 -0.10 -0.14 0.00 0.84 0.00 0.00 57.88 58.46 2jm5 h LEU 32 Cb 1.27 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 2jm5 h LEU 32 CO 0.12 0.58 -0.46 0.11 -0.34 0.00 0.00 178.44 178.45 2jm5 h LYS 33 N 0.26 0.54 0.00 1.25 1.57 -0.15 0.24 116.57 120.28 2jm5 h LYS 33 Ca 0.04 -0.30 -0.05 0.00 -1.87 0.00 0.00 60.65 58.46 2jm5 h LYS 33 Cb 0.65 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 2jm5 h LYS 33 CO 0.05 0.89 -0.25 0.00 -0.57 0.00 0.00 179.45 179.57 2jm5 h THR 34 N 0.44 0.62 -0.02 -0.16 1.03 -1.12 -1.84 112.91 111.86 2jm5 h THR 34 Ca 0.03 -1.18 0.00 0.00 -0.01 0.00 0.00 66.41 65.25 2jm5 h THR 34 Cb 0.97 1.78 0.00 0.00 -1.07 0.00 0.00 68.15 69.83 2jm5 h THR 34 CO 0.09 0.25 -0.01 -1.84 -0.01 0.00 0.00 175.52 173.99 2jm5 n GLU 35 N -3.43 1.96 -1.96 0.00 0.28 -0.93 -4.95 120.64 111.60 2jm5 n GLU 35 Ca -0.00 -1.42 -0.12 0.00 -0.16 0.00 0.00 57.16 55.47 2jm5 n GLU 35 Cb 0.44 -1.47 -0.02 0.00 1.43 0.00 0.00 31.44 31.82 2jm5 n GLU 35 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2jm5 n PHE 36 N 0.72 -0.39 -0.91 -1.84 -0.00 -0.51 -4.91 117.46 109.62 2jm5 n PHE 36 Ca 0.16 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.70 2jm5 n PHE 36 Cb 0.47 -2.50 0.21 0.00 -0.00 0.00 0.00 39.48 37.66 2jm5 n PHE 36 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 2jm5 n SER 37 N -0.11 3.37 0.07 -2.13 7.64 0.73 -4.64 113.62 118.54 2jm5 n SER 37 Ca -0.13 -2.92 0.05 0.00 1.01 0.00 0.00 58.87 56.88 2jm5 n SER 37 Cb 0.54 -0.47 0.27 0.00 -1.01 0.00 0.00 64.21 63.53 2jm5 n SER 37 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2jm5 n GLU 38 N -0.65 0.06 -0.33 1.43 0.28 -1.10 -2.26 120.64 118.07 2jm5 n GLU 38 Ca 0.18 0.53 0.13 0.00 -0.16 0.00 0.00 57.16 57.84 2jm5 n GLU 38 Cb 0.77 -1.69 0.31 0.00 1.43 0.00 0.00 31.44 32.26 2jm5 n GLU 38 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2jm5 h GLU 39 N 0.00 0.65 0.04 3.44 4.39 -1.90 -2.62 114.58 118.58 2jm5 h GLU 39 Ca 0.00 -0.04 -0.27 0.00 0.34 0.00 0.00 59.36 59.39 2jm5 h GLU 39 Cb 0.04 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 2jm5 h GLU 39 CO 0.00 0.43 -1.41 -2.95 -1.16 0.00 0.00 179.01 173.92 2jm5 h ASN 40 N 0.66 0.14 -0.24 1.42 7.08 -1.74 -0.95 115.58 121.95 2jm5 h ASN 40 Ca 0.56 -0.21 -0.05 0.00 -3.08 0.00 0.00 56.30 53.53 2jm5 h ASN 40 Cb 0.92 -0.05 -0.01 0.00 -2.08 0.00 0.00 38.32 37.11 2jm5 h ASN 40 CO -0.41 1.17 -0.03 -0.29 -2.08 0.00 0.00 177.43 175.79 2jm5 h ILE 41 N 0.03 1.27 0.00 6.14 6.09 -1.70 -2.57 117.51 126.76 2jm5 h ILE 41 Ca -0.18 -0.98 0.00 0.00 -1.37 0.00 0.00 64.86 62.33 2jm5 h ILE 41 Cb 1.93 1.43 0.00 0.00 0.47 0.00 0.00 36.82 40.66 2jm5 h ILE 41 CO 0.13 0.31 0.00 -0.33 -3.07 0.00 0.00 178.15 175.18 2jm5 h GLU 42 N 0.20 0.00 0.39 2.19 3.07 -1.58 -2.69 114.58 116.16 2jm5 h GLU 42 Ca 0.06 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.92 2jm5 h GLU 42 Cb 0.47 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.35 2jm5 h GLU 42 CO 0.02 0.00 -0.50 0.35 -1.40 0.00 0.00 179.01 177.48 2jm5 h PHE 43 N 0.00 -1.40 0.00 4.33 3.04 -0.76 0.08 116.94 122.22 2jm5 h PHE 43 Ca 0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 2jm5 h PHE 43 Cb 0.86 0.56 0.00 0.00 2.56 0.00 0.00 35.95 39.93 2jm5 h PHE 43 CO 0.00 -0.63 0.00 0.11 -2.02 0.00 0.00 178.31 175.77 2jm5 h TRP 44 N -0.91 0.00 -0.61 0.41 -0.00 -1.48 -2.24 115.95 111.11 2jm5 h TRP 44 Ca -0.05 0.00 -0.05 0.00 -0.00 0.00 0.00 58.89 58.80 2jm5 h TRP 44 Cb 0.82 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 29.95 2jm5 h TRP 44 CO -0.31 0.00 0.19 0.82 -0.00 0.00 0.00 178.44 179.15 2jm5 h ILE 45 N 0.00 1.23 -0.30 0.12 2.04 -1.19 0.15 117.51 119.55 2jm5 h ILE 45 Ca 0.00 -0.78 -0.09 0.00 1.00 0.00 0.00 64.86 64.99 2jm5 h ILE 45 Cb 0.73 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 2jm5 h ILE 45 CO 0.00 0.30 -0.17 0.00 0.00 0.00 0.00 178.15 178.28 2jm5 h ALA 46 N 1.32 1.13 -0.08 1.87 0.00 -0.46 -1.67 119.26 121.37 2jm5 h ALA 46 Ca 0.20 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 2jm5 h ALA 46 Cb 0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2jm5 h ALA 46 CO -0.01 0.54 -0.52 0.00 0.00 0.00 0.00 179.25 179.26 2jm5 h GLU 48 N 0.16 0.19 0.00 0.00 4.39 -0.48 -1.47 114.58 117.38 2jm5 h GLU 48 Ca 0.00 -0.14 -0.06 0.00 0.34 0.00 0.00 59.36 59.51 2jm5 h GLU 48 Cb 0.97 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.64 2jm5 h GLU 48 CO 0.08 0.75 -0.28 0.22 -1.16 0.00 0.00 179.01 178.63 2jm5 h ASP 49 N 0.14 0.00 -0.18 1.42 3.58 -0.68 -1.42 116.42 119.28 2jm5 h ASP 49 Ca -0.01 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.34 2jm5 h ASP 49 Cb 1.13 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.18 2jm5 h ASP 49 CO 0.09 0.28 -0.27 0.15 -2.88 0.00 0.00 179.24 176.61 2jm5 h PHE 50 N 0.00 0.62 0.00 0.28 3.57 -0.15 -2.96 116.94 118.30 2jm5 h PHE 50 Ca -0.00 -0.21 -0.01 0.00 3.53 0.00 0.00 57.97 61.28 2jm5 h PHE 50 Cb 0.67 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.29 2jm5 h PHE 50 CO 0.00 0.91 -0.04 0.87 -2.23 0.00 0.00 178.31 177.82 2jm5 h LYS 51 N 0.15 0.00 0.00 1.11 1.57 -0.76 -2.14 116.57 116.50 2jm5 h LYS 51 Ca 0.02 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2jm5 h LYS 51 Cb 0.85 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.15 2jm5 h LYS 51 CO 0.06 0.04 -0.15 -0.22 -0.57 0.00 0.00 179.45 178.61 2jm5 h LYS 52 N 0.00 0.00 -6.71 3.15 3.64 -1.09 -3.44 116.57 112.12 2jm5 h LYS 52 Ca -0.00 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.85 2jm5 h LYS 52 Cb 0.31 0.00 0.06 0.00 -0.41 0.00 0.00 32.23 32.19 2jm5 h LYS 52 CO 0.00 0.15 0.92 -1.12 -2.27 0.00 0.00 179.45 177.13 2jm5 s SER 53 N -6.27 6.44 -0.11 4.20 0.01 -0.81 -4.90 113.70 112.27 2jm5 s SER 53 Ca -0.03 2.83 0.14 0.00 1.31 0.00 0.00 55.95 60.20 2jm5 s SER 53 Cb 0.13 -2.61 0.43 0.00 0.21 0.00 0.00 66.02 64.17 2jm5 s SER 53 CO 0.61 -0.90 1.34 2.29 0.41 0.00 0.00 173.24 176.99 2jm5 n LYS 54 N 3.16 2.87 -3.80 12.44 -0.00 -1.26 -4.94 118.16 126.63 2jm5 n LYS 54 Ca 0.12 -2.51 -0.13 0.00 -0.00 0.00 0.00 58.31 55.79 2jm5 n LYS 54 Cb 0.37 -1.60 -0.14 0.00 -0.00 0.00 0.00 35.03 33.66 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 -1.58 -0.03 0.47 2.58 0.00 -1.26 -5.04 107.32 102.45 2jm5 s GLY 55 Ca 0.34 0.43 0.17 0.00 0.00 0.00 0.00 44.72 45.65 2jm5 s GLY 55 CO 0.11 0.57 2.03 -0.56 0.00 0.00 0.00 173.10 175.25 2jm5 h PRO 56 N 6.62 0.00 -0.27 2.90 0.13 -2.00 -2.17 132.00 137.21 2jm5 h PRO 56 Ca -0.34 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.74 2jm5 h PRO 56 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2jm5 h PRO 56 CO 0.44 0.15 -0.02 1.96 -0.23 0.00 0.00 178.00 180.31 2jm5 h GLN 57 N 0.00 0.49 -0.81 0.86 4.20 -1.99 -2.74 115.11 115.12 2jm5 h GLN 57 Ca -0.00 -0.16 0.06 0.00 0.06 0.00 0.00 58.65 58.61 2jm5 h GLN 57 Cb 0.29 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.98 2jm5 h GLN 57 CO 0.02 0.66 0.53 0.37 -0.67 0.00 0.00 178.83 179.75 2jm5 h GLN 58 N 0.27 0.86 -0.48 1.46 5.75 -1.84 -1.93 115.11 119.19 2jm5 h GLN 58 Ca 0.07 -0.05 0.08 0.00 -0.15 0.00 0.00 58.65 58.61 2jm5 h GLN 58 Cb 0.45 -0.19 -0.07 0.00 1.07 0.00 0.00 27.48 28.74 2jm5 h GLN 58 CO 0.02 0.57 0.08 0.82 -2.65 0.00 0.00 178.83 177.67 2jm5 h ILE 59 N 0.89 0.72 0.35 2.39 1.08 -1.10 0.31 117.51 122.15 2jm5 h ILE 59 Ca 0.35 -0.07 -0.00 0.00 -0.39 0.00 0.00 64.86 64.75 2jm5 h ILE 59 Cb 0.23 0.49 -0.03 0.00 -3.07 0.00 0.00 36.82 34.44 2jm5 h ILE 59 CO -0.12 0.04 -0.38 0.45 -0.69 0.00 0.00 178.15 177.44 2jm5 h HIS 60 N 0.21 -1.04 -0.10 1.37 3.86 -1.28 0.28 115.15 118.45 2jm5 h HIS 60 Ca 0.24 0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 59.35 2jm5 h HIS 60 Cb 0.32 0.41 -0.01 0.00 1.06 0.00 0.00 27.41 29.19 2jm5 h HIS 60 CO -0.23 -0.53 -0.44 1.37 0.86 0.00 0.00 177.93 178.96 2jm5 h LEU 61 N -0.77 0.25 0.13 2.43 8.10 -1.49 -0.20 115.31 123.76 2jm5 h LEU 61 Ca -0.02 -0.11 -0.01 0.00 0.11 0.00 0.00 57.88 57.85 2jm5 h LEU 61 Cb 0.70 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 40.85 2jm5 h LEU 61 CO -0.08 0.66 -0.06 0.11 -4.11 0.00 0.00 178.44 174.96 2jm5 h LYS 62 N 0.20 -0.17 -0.05 0.17 1.79 -0.68 -2.06 116.57 115.77 2jm5 h LYS 62 Ca 0.01 0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2jm5 h LYS 62 Cb 0.86 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.54 2jm5 h LYS 62 CO 0.07 0.13 0.03 0.00 -1.08 0.00 0.00 179.45 178.59 2jm5 h ALA 63 N 0.36 0.06 -0.28 3.86 0.00 -0.26 -1.58 119.26 121.41 2jm5 h ALA 63 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2jm5 h ALA 63 Cb 0.37 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2jm5 h ALA 63 CO 0.03 -0.41 0.19 -0.22 0.00 0.00 0.00 179.25 178.84 2jm5 h LYS 64 N -0.01 0.37 0.02 0.00 1.63 -1.10 0.20 116.57 117.69 2jm5 h LYS 64 Ca 0.02 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2jm5 h LYS 64 Cb 0.07 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.62 2jm5 h LYS 64 CO -0.00 0.25 -0.01 0.00 -3.45 0.00 0.00 179.45 176.23 2jm5 h ALA 65 N 1.82 -0.03 -0.43 5.00 0.00 -0.84 -1.25 119.26 123.53 2jm5 h ALA 65 Ca 0.10 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 2jm5 h ALA 65 Cb -0.04 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2jm5 h ALA 65 CO -0.02 -0.29 -0.02 0.82 0.00 0.00 0.00 179.25 179.73 2jm5 h ILE 66 N -0.48 1.24 0.56 0.00 2.04 -0.79 -1.27 117.51 118.81 2jm5 h ILE 66 Ca -0.00 -0.98 -0.02 0.00 1.00 0.00 0.00 64.86 64.86 2jm5 h ILE 66 Cb 0.45 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 2jm5 h ILE 66 CO 0.01 0.34 -0.44 0.22 0.00 0.00 0.00 178.15 178.28 2jm5 h TYR 67 N 0.66 -1.18 0.00 1.37 3.20 -0.57 0.38 116.97 120.83 2jm5 h TYR 67 Ca 0.13 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 2jm5 h TYR 67 Cb 0.45 0.44 -0.00 0.00 1.54 0.00 0.00 36.73 39.16 2jm5 h TYR 67 CO 0.02 -0.62 -0.03 0.93 -1.64 0.00 0.00 178.16 176.82 2jm5 h GLU 68 N -0.97 0.00 0.00 1.82 5.08 -0.96 0.99 114.58 120.53 2jm5 h GLU 68 Ca -0.07 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 2jm5 h GLU 68 Cb 0.82 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 2jm5 h GLU 68 CO 0.01 0.03 -1.47 1.17 -1.00 0.00 0.00 179.01 177.74 2jm5 n LYS 69 N -3.16 0.63 0.07 2.33 4.81 -0.50 -4.31 118.16 118.03 2jm5 n LYS 69 Ca -0.01 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 2jm5 n LYS 69 Cb 0.24 -1.71 0.00 0.00 0.02 0.00 0.00 35.03 33.58 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 -2.59 -1.29 0.36 5.64 3.72 0.10 -3.12 117.46 120.28 2jm5 n PHE 70 Ca -0.05 0.23 0.06 0.00 -0.05 0.00 0.00 57.45 57.64 2jm5 n PHE 70 Cb 0.65 0.54 0.28 0.00 -0.94 0.00 0.00 39.48 40.01 2jm5 n PHE 70 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2jm5 n ILE 71 N -2.99 1.19 -0.99 4.37 2.08 0.22 -3.89 119.36 119.34 2jm5 n ILE 71 Ca 0.00 0.33 -0.29 0.00 0.56 0.00 0.00 62.75 63.35 2jm5 n ILE 71 Cb 0.00 -1.17 0.21 0.00 -0.75 0.00 0.00 39.64 37.93 2jm5 n ILE 71 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 2jm5 s GLN 72 N -3.07 -0.20 -0.22 0.38 -1.52 -0.44 -4.97 119.66 109.61 2jm5 s GLN 72 Ca 0.05 0.50 -0.19 0.00 -1.95 0.00 0.00 55.36 53.76 2jm5 s GLN 72 Cb 0.07 -1.67 -0.18 0.00 -0.22 0.00 0.00 33.01 31.01 2jm5 s GLN 72 CO 0.22 -3.15 0.12 2.41 -0.25 0.00 0.00 175.29 174.64 2jm5 n THR 73 N -4.47 1.55 -3.46 -0.19 -1.04 -1.26 -4.46 114.28 100.95 2jm5 n THR 73 Ca 0.05 -0.13 -0.42 0.00 -2.04 0.00 0.00 64.05 61.51 2jm5 n THR 73 Cb 0.57 -1.99 -0.03 0.00 -1.82 0.00 0.00 70.33 67.06 2jm5 n THR 73 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2jm5 s ASP 74 N -6.97 6.62 0.40 8.00 -1.08 -1.26 -4.87 116.67 117.51 2jm5 s ASP 74 Ca -0.30 -3.38 0.06 0.00 -0.52 0.00 0.00 52.55 48.41 2jm5 s ASP 74 Cb 0.07 -2.09 0.00 0.00 -1.46 0.00 0.00 42.92 39.45 2jm5 s ASP 74 CO 0.58 -0.32 0.56 0.00 0.52 0.00 0.00 175.17 176.51 2jm5 s ALA 75 N -0.88 4.32 0.44 3.66 0.00 -1.26 -4.98 121.76 123.06 2jm5 s ALA 75 Ca 0.26 -1.52 0.20 0.00 0.00 0.00 0.00 51.96 50.90 2jm5 s ALA 75 Cb -0.10 -1.72 1.23 0.00 0.00 0.00 0.00 23.12 22.53 2jm5 s ALA 75 CO -0.09 -0.23 2.04 -1.00 0.00 0.00 0.00 175.76 176.47 2jm5 h PRO 76 N 0.67 0.00 0.00 0.00 0.13 -1.75 -3.41 132.00 127.64 2jm5 h PRO 76 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2jm5 h PRO 76 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2jm5 h PRO 76 CO 0.49 0.15 0.00 1.63 -0.23 0.00 0.00 178.00 180.04 2jm5 n LYS 77 N -4.02 3.12 0.00 0.86 4.76 -1.18 -5.12 118.16 116.57 2jm5 n LYS 77 Ca -0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 2jm5 n LYS 77 Cb 0.23 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.42 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 0.00 0.00 -4.08 1.97 2.13 -1.26 -4.94 120.64 114.46 2jm5 n GLU 78 Ca 0.00 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.68 2jm5 n GLU 78 Cb 0.00 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 31.58 2jm5 n GLU 78 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2jm5 s VAL 79 N -1.63 0.38 -0.31 6.31 1.01 -1.25 -4.74 120.40 120.16 2jm5 s VAL 79 Ca 0.00 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.49 2jm5 s VAL 79 Cb 0.00 -0.38 0.46 0.00 0.00 0.00 0.00 36.38 36.45 2jm5 s VAL 79 CO 0.00 -0.10 1.64 0.59 0.00 0.00 0.00 175.10 177.23 2jm5 n ASN 80 N 2.40 3.56 -4.78 3.32 5.03 -1.26 -4.97 115.26 118.56 2jm5 n ASN 80 Ca -0.17 -3.11 -0.41 0.00 0.87 0.00 0.00 54.58 51.77 2jm5 n ASN 80 Cb 0.57 -0.74 -0.00 0.00 -1.02 0.00 0.00 39.78 38.59 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 -2.26 4.31 0.10 3.41 2.96 -1.26 -4.89 118.68 121.05 2jm5 s LEU 81 Ca 0.39 3.06 -0.35 0.00 -0.22 0.00 0.00 54.13 57.01 2jm5 s LEU 81 Cb 0.33 -3.67 -0.15 0.00 0.50 0.00 0.00 46.19 43.20 2jm5 s LEU 81 CO 0.07 -0.89 1.51 0.47 -1.32 0.00 0.00 176.35 176.19 2jm5 n ASP 82 N 0.46 2.52 0.08 3.68 9.92 -1.26 -4.85 116.55 127.09 2jm5 n ASP 82 Ca 0.01 1.09 0.10 0.00 -0.53 0.00 0.00 54.79 55.46 2jm5 n ASP 82 Cb 0.39 -1.32 0.56 0.00 -0.64 0.00 0.00 41.12 40.11 2jm5 n ASP 82 CO 0.00 0.00 0.00 2.19 0.13 0.00 0.00 177.20 179.52 2jm5 h PHE 83 N 5.60 0.22 -0.13 1.24 -5.15 -1.99 -1.29 116.94 115.44 2jm5 h PHE 83 Ca -0.46 0.01 -0.12 0.00 -0.20 0.00 0.00 57.97 57.19 2jm5 h PHE 83 Cb 1.29 -0.07 -0.01 0.00 0.22 0.00 0.00 35.95 37.37 2jm5 h PHE 83 CO 0.63 0.12 -0.46 1.25 -2.00 0.00 0.00 178.31 177.85 2jm5 h HIS 84 N 0.23 0.39 -0.02 6.09 2.76 -1.98 0.21 115.15 122.83 2jm5 h HIS 84 Ca 0.14 -0.12 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 2jm5 h HIS 84 Cb 0.26 -0.08 -0.00 0.00 1.55 0.00 0.00 27.41 29.14 2jm5 h HIS 84 CO -0.00 0.73 -0.02 1.15 -1.30 0.00 0.00 177.93 178.49 2jm5 h THR 85 N 0.26 1.39 -0.18 6.26 2.02 -1.62 -1.97 112.91 119.07 2jm5 h THR 85 Ca 0.02 -1.17 -0.05 0.00 0.77 0.00 0.00 66.41 65.98 2jm5 h THR 85 Cb 0.92 2.14 -0.01 0.00 -1.74 0.00 0.00 68.15 69.46 2jm5 h THR 85 CO 0.08 0.31 -0.10 0.07 0.37 0.00 0.00 175.52 176.24 2jm5 h LYS 86 N -0.44 0.27 -0.05 6.66 2.10 -1.39 -1.15 116.57 122.57 2jm5 h LYS 86 Ca 0.00 -0.06 0.03 0.00 -2.00 0.00 0.00 60.65 58.62 2jm5 h LYS 86 Cb 0.51 -0.04 -0.04 0.00 -0.90 0.00 0.00 32.23 31.76 2jm5 h LYS 86 CO 0.00 0.39 -0.15 1.49 -2.00 0.00 0.00 179.45 179.18 2jm5 h GLU 87 N 0.26 -0.21 -0.68 0.07 4.81 -0.41 0.37 114.58 118.79 2jm5 h GLU 87 Ca 0.06 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 2jm5 h GLU 87 Cb 0.35 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 2jm5 h GLU 87 CO 0.02 -0.14 0.37 0.28 -0.73 0.00 0.00 179.01 178.80 2jm5 h VAL 88 N -0.22 1.21 -0.32 0.32 2.07 -0.66 -2.56 116.25 116.08 2jm5 h VAL 88 Ca 0.07 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 2jm5 h VAL 88 Cb 0.32 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 2jm5 h VAL 88 CO -0.18 0.24 0.18 0.40 0.02 0.00 0.00 177.57 178.22 2jm5 h ILE 89 N 0.93 1.13 -0.83 4.57 2.04 -0.68 0.15 117.51 124.83 2jm5 h ILE 89 Ca 0.24 -0.33 0.07 0.00 1.00 0.00 0.00 64.86 65.84 2jm5 h ILE 89 Cb 0.05 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 2jm5 h ILE 89 CO -0.04 0.13 0.54 0.71 0.00 0.00 0.00 178.15 179.49 2jm5 h THR 90 N 0.40 1.02 0.15 -0.27 1.35 0.02 0.35 112.91 115.94 2jm5 h THR 90 Ca 0.11 -0.30 -0.30 0.00 -0.55 0.00 0.00 66.41 65.38 2jm5 h THR 90 Cb 0.05 0.07 0.02 0.00 -1.73 0.00 0.00 68.15 66.56 2jm5 h THR 90 CO -0.02 0.16 -1.29 0.78 -0.25 0.00 0.00 175.52 174.90 2jm5 h ASN 91 N 0.87 0.70 -0.49 5.36 2.35 -1.08 -3.30 115.58 119.99 2jm5 h ASN 91 Ca 0.36 -0.69 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 2jm5 h ASN 91 Cb 0.29 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.43 2jm5 h ASN 91 CO -0.14 1.52 0.00 -1.20 -1.65 0.00 0.00 177.43 175.97 2jm5 n SER 92 N -3.68 2.65 0.11 5.81 7.64 0.49 -3.98 113.62 122.65 2jm5 n SER 92 Ca -0.12 -2.01 0.02 0.00 1.01 0.00 0.00 58.87 57.78 2jm5 n SER 92 Cb 1.02 -0.33 -0.00 0.00 -1.01 0.00 0.00 64.21 63.89 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 2.88 0.72 -0.15 0.44 6.09 -0.40 -1.31 117.51 125.77 2jm5 h ILE 93 Ca 0.00 -2.09 0.00 0.00 -1.37 0.00 0.00 64.86 61.40 2jm5 h ILE 93 Cb 0.67 2.28 0.00 0.00 0.47 0.00 0.00 36.82 40.23 2jm5 h ILE 93 CO 0.00 0.41 0.00 1.07 -3.07 0.00 0.00 178.15 176.56 2jm5 n THR 94 N -3.12 0.19 -2.70 2.19 5.66 -1.26 -4.13 114.28 111.13 2jm5 n THR 94 Ca -0.01 -0.30 -0.07 0.00 -3.05 0.00 0.00 64.05 60.62 2jm5 n THR 94 Cb 0.75 0.25 0.11 0.00 -1.55 0.00 0.00 70.33 69.90 2jm5 n THR 94 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jm5 n GLN 95 N 0.16 1.19 -2.02 1.09 10.64 -1.08 -5.14 117.38 122.22 2jm5 n GLN 95 Ca 0.15 -1.93 -0.28 0.00 -1.83 0.00 0.00 57.00 53.10 2jm5 n GLN 95 Cb 0.28 -0.17 0.06 0.00 -0.86 0.00 0.00 30.24 29.56 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 -0.05 2.43 0.33 2.61 0.04 -0.51 -4.89 135.00 134.95 2jm5 s PRO 96 Ca 0.22 0.15 0.05 0.00 0.04 0.00 0.00 61.00 61.46 2jm5 s PRO 96 Cb 0.40 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.85 2jm5 s PRO 96 CO -0.08 -1.23 0.23 0.95 0.04 0.00 0.00 177.00 176.91 2jm5 s THR 97 N -3.37 0.14 0.66 1.26 -4.23 -1.26 -4.81 115.64 104.03 2jm5 s THR 97 Ca 0.59 -2.00 0.43 0.00 -1.18 0.00 0.00 61.69 59.53 2jm5 s THR 97 Cb -0.11 -2.47 0.43 0.00 1.34 0.00 0.00 72.50 71.69 2jm5 s THR 97 CO 0.49 0.00 2.31 0.25 -0.54 0.00 0.00 174.62 177.12 2jm5 h LEU 98 N 2.13 0.00 -3.88 4.79 5.85 -1.97 -2.07 115.31 120.16 2jm5 h LEU 98 Ca -0.29 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.18 2jm5 h LEU 98 Cb 1.24 0.00 -0.32 0.00 0.37 0.00 0.00 40.66 41.96 2jm5 h LEU 98 CO 0.43 0.00 -0.88 1.41 -0.34 0.00 0.00 178.44 179.06 2jm5 n HIS 99 N -3.04 1.09 0.24 1.25 8.25 -1.26 -4.35 115.22 117.41 2jm5 n HIS 99 Ca -0.03 -1.64 0.16 0.00 -0.26 0.00 0.00 57.72 55.94 2jm5 n HIS 99 Cb 0.11 -0.25 0.84 0.00 1.12 0.00 0.00 29.99 31.82 2jm5 n HIS 99 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2jm5 h SER 100 N 1.76 0.00 -0.29 0.41 0.02 -1.78 -1.38 113.55 112.30 2jm5 h SER 100 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2jm5 h SER 100 Cb 1.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.97 2jm5 h SER 100 CO 0.28 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.46 2jm5 n PHE 101 N -3.91 0.38 -0.01 3.45 3.72 -1.26 -4.63 117.46 115.19 2jm5 n PHE 101 Ca -0.00 -0.33 -0.02 0.00 -0.05 0.00 0.00 57.45 57.05 2jm5 n PHE 101 Cb 0.21 -0.01 0.24 0.00 -0.94 0.00 0.00 39.48 38.97 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 2.56 0.53 -0.32 4.37 1.82 -1.61 0.29 116.42 124.07 2jm5 h ASP 102 Ca 0.00 -0.14 -0.12 0.00 -0.39 0.00 0.00 57.03 56.38 2jm5 h ASP 102 Cb 0.71 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.57 2jm5 h ASP 102 CO 0.00 0.67 -0.27 0.00 -1.61 0.00 0.00 179.24 178.03 2jm5 h ALA 103 N 1.38 0.46 -0.41 -0.78 0.00 -1.82 -2.97 119.26 115.13 2jm5 h ALA 103 Ca 0.10 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 2jm5 h ALA 103 Cb 0.48 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2jm5 h ALA 103 CO 0.03 0.47 0.11 0.00 0.00 0.00 0.00 179.25 179.86 2jm5 h ALA 104 N 0.74 1.43 -0.82 0.00 0.00 -1.62 -0.63 119.26 118.35 2jm5 h ALA 104 Ca 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2jm5 h ALA 104 Cb 0.84 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 2jm5 h ALA 104 CO 0.07 0.42 0.46 1.96 0.00 0.00 0.00 179.25 182.16 2jm5 h GLN 105 N 0.60 1.14 -0.25 0.00 4.20 -0.86 0.14 115.11 120.08 2jm5 h GLN 105 Ca 0.14 -0.13 -0.13 0.00 0.06 0.00 0.00 58.65 58.59 2jm5 h GLN 105 Cb 0.21 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2jm5 h GLN 105 CO -0.01 0.83 -0.37 1.03 -0.67 0.00 0.00 178.83 179.65 2jm5 h SER 106 N 1.14 0.59 -0.24 1.46 0.87 -1.13 0.13 113.55 116.37 2jm5 h SER 106 Ca 0.29 -0.25 -0.06 0.00 -1.23 0.00 0.00 61.79 60.54 2jm5 h SER 106 Cb 0.02 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 2jm5 h SER 106 CO -0.05 0.90 -0.08 0.03 -0.53 0.00 0.00 176.83 177.11 2jm5 h ARG 107 N 0.47 0.48 -0.51 2.24 2.47 -0.46 -2.10 114.38 116.95 2jm5 h ARG 107 Ca 0.05 -0.19 -0.10 0.00 -1.26 0.00 0.00 59.98 58.47 2jm5 h ARG 107 Cb 0.86 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 29.14 2jm5 h ARG 107 CO 0.07 0.72 -0.07 0.28 0.56 0.00 0.00 179.97 181.53 2jm5 h VAL 108 N 0.21 1.26 -0.17 2.04 2.07 -0.59 0.18 116.25 121.25 2jm5 h VAL 108 Ca 0.06 -1.18 0.04 0.00 0.82 0.00 0.00 66.70 66.44 2jm5 h VAL 108 Cb 0.56 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 2jm5 h VAL 108 CO 0.03 0.42 -0.09 0.22 0.02 0.00 0.00 177.57 178.16 2jm5 h TYR 109 N 0.84 -0.22 -0.07 1.57 5.03 -0.64 -1.09 116.97 122.38 2jm5 h TYR 109 Ca 0.14 0.02 -0.12 0.00 2.58 0.00 0.00 58.73 61.35 2jm5 h TYR 109 Cb 0.60 0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.99 2jm5 h TYR 109 CO 0.04 -0.15 -0.52 -0.56 -1.32 0.00 0.00 178.16 175.65 2jm5 h GLN 110 N -0.08 0.20 0.67 1.82 3.07 -1.12 -0.63 115.11 119.03 2jm5 h GLN 110 Ca 0.10 -0.11 -0.03 0.00 0.09 0.00 0.00 58.65 58.70 2jm5 h GLN 110 Cb 0.22 0.01 -0.01 0.00 0.08 0.00 0.00 27.48 27.78 2jm5 h GLN 110 CO -0.22 0.67 -0.50 1.25 0.09 0.00 0.00 178.83 180.12 2jm5 h LEU 111 N 0.16 -1.30 0.00 0.06 5.85 -0.55 -2.18 115.31 117.35 2jm5 h LEU 111 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2jm5 h LEU 111 Cb 0.97 0.40 0.00 0.00 0.37 0.00 0.00 40.66 42.40 2jm5 h LEU 111 CO 0.08 -0.71 -0.08 1.15 -0.34 0.00 0.00 178.44 178.53 2jm5 n MET 112 N -5.53 0.01 0.43 1.25 0.00 -0.45 -2.68 117.12 110.15 2jm5 n MET 112 Ca -0.13 0.01 -0.17 0.00 0.00 0.00 0.00 57.70 57.40 2jm5 n MET 112 Cb 0.48 -1.51 -0.08 0.00 0.00 0.00 0.00 33.22 32.11 2jm5 n MET 112 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 2jm5 h GLU 113 N 0.00 -1.07 0.00 3.17 4.81 -0.88 0.30 114.58 120.91 2jm5 h GLU 113 Ca 0.00 0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 2jm5 h GLU 113 Cb 0.51 0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 2jm5 h GLU 113 CO 0.00 -0.71 -0.24 -0.56 -0.73 0.00 0.00 179.01 176.77 2jm5 h GLN 114 N -1.29 0.00 0.00 1.92 3.07 -1.42 -2.27 115.11 115.11 2jm5 h GLN 114 Ca -0.11 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.49 2jm5 h GLN 114 Cb 0.85 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.39 2jm5 h GLN 114 CO 0.19 0.24 -1.44 -3.47 0.09 0.00 0.00 178.83 174.44 2jm5 n ASP 115 N -3.71 1.93 0.01 0.06 2.03 -1.09 -4.68 116.55 111.09 2jm5 n ASP 115 Ca -0.01 0.33 -0.01 0.00 0.52 0.00 0.00 54.79 55.62 2jm5 n ASP 115 Cb 0.35 -0.75 -0.10 0.00 -0.72 0.00 0.00 41.12 39.90 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 -4.38 0.66 -0.05 1.67 7.64 0.41 -3.99 113.62 115.58 2jm5 n SER 116 Ca -0.26 0.29 -0.09 0.00 1.01 0.00 0.00 58.87 59.82 2jm5 n SER 116 Cb 0.62 0.43 0.06 0.00 -1.01 0.00 0.00 64.21 64.31 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 0.83 -0.36 1.43 3.20 0.05 0.50 116.97 122.63 2jm5 h TYR 117 Ca -0.21 -0.25 -0.04 0.00 3.14 0.00 0.00 58.73 61.38 2jm5 h TYR 117 Cb 1.65 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.73 2jm5 h TYR 117 CO 0.00 0.99 0.09 1.79 -1.64 0.00 0.00 178.16 179.39 2jm5 h THR 118 N 0.57 1.22 -0.50 1.81 1.35 -1.74 0.11 112.91 115.73 2jm5 h THR 118 Ca 0.05 -0.76 -0.07 0.00 -0.55 0.00 0.00 66.41 65.08 2jm5 h THR 118 Cb 0.94 1.03 -0.02 0.00 -1.73 0.00 0.00 68.15 68.36 2jm5 h THR 118 CO 0.09 0.26 0.04 0.03 -0.25 0.00 0.00 175.52 175.69 2jm5 h ARG 119 N 0.44 0.81 -0.82 4.72 2.47 -1.62 -1.84 114.38 118.56 2jm5 h ARG 119 Ca 0.11 -0.20 -0.01 0.00 -1.26 0.00 0.00 59.98 58.62 2jm5 h ARG 119 Cb 0.30 -0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 28.48 2jm5 h ARG 119 CO 0.00 0.79 0.48 0.35 0.56 0.00 0.00 179.97 182.15 2jm5 h PHE 120 N 0.77 1.09 0.00 3.04 3.57 0.55 0.38 116.94 126.33 2jm5 h PHE 120 Ca 0.16 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 2jm5 h PHE 120 Cb 0.40 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 2jm5 h PHE 120 CO 0.02 0.74 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.74 2jm5 h LEU 121 N 1.12 0.00 -2.89 0.59 3.38 0.06 -0.23 115.31 117.34 2jm5 h LEU 121 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2jm5 h LEU 121 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2jm5 h LEU 121 CO -0.05 0.03 0.00 0.29 0.09 0.00 0.00 178.44 178.80 2jm5 n LYS 122 N -3.90 2.89 -2.22 1.13 4.76 -0.62 -4.65 118.16 115.55 2jm5 n LYS 122 Ca -0.03 -2.24 -0.33 0.00 -2.87 0.00 0.00 58.31 52.84 2jm5 n LYS 122 Cb 0.12 -1.38 -0.01 0.00 -1.84 0.00 0.00 35.03 31.92 2jm5 n LYS 122 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2jm5 s SER 123 N -1.05 6.10 0.39 4.39 1.04 0.12 -4.86 113.70 119.83 2jm5 s SER 123 Ca 0.30 1.77 0.06 0.00 0.48 0.00 0.00 55.95 58.56 2jm5 s SER 123 Cb 0.17 -2.53 0.79 0.00 0.10 0.00 0.00 66.02 64.55 2jm5 s SER 123 CO 0.19 -0.95 2.01 0.44 0.98 0.00 0.00 173.24 175.92 2jm5 h ASP 124 N 0.75 0.57 -0.53 7.02 3.32 -1.89 0.14 116.42 125.81 2jm5 h ASP 124 Ca -0.47 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.47 2jm5 h ASP 124 Cb 1.21 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 2jm5 h ASP 124 CO 0.59 0.40 -0.05 -0.29 -1.72 0.00 0.00 179.24 178.17 2jm5 h ILE 125 N 0.66 1.27 0.10 0.35 6.09 -1.92 0.62 117.51 124.69 2jm5 h ILE 125 Ca 0.22 -1.17 -0.26 0.00 -1.37 0.00 0.00 64.86 62.28 2jm5 h ILE 125 Cb 0.08 0.96 -0.00 0.00 0.47 0.00 0.00 36.82 38.33 2jm5 h ILE 125 CO -0.06 0.41 -1.18 0.22 -3.07 0.00 0.00 178.15 174.48 2jm5 h TYR 126 N 0.83 0.44 0.00 2.19 3.20 -1.58 -2.72 116.97 119.33 2jm5 h TYR 126 Ca 0.14 -0.31 -0.04 0.00 3.14 0.00 0.00 58.73 61.66 2jm5 h TYR 126 Cb 0.59 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 2jm5 h TYR 126 CO 0.04 1.23 -0.20 -0.07 -1.64 0.00 0.00 178.16 177.51 2jm5 h LEU 127 N 0.08 0.00 -0.59 2.82 3.38 -0.65 -0.22 115.31 120.13 2jm5 h LEU 127 Ca -0.11 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 2jm5 h LEU 127 Cb 1.90 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.63 2jm5 h LEU 127 CO 0.19 0.20 0.15 -0.78 0.09 0.00 0.00 178.44 178.30 2jm5 h ASP 128 N 0.00 0.88 0.70 -0.43 3.58 -0.71 0.31 116.42 120.76 2jm5 h ASP 128 Ca -0.00 -0.23 -0.05 0.00 0.42 0.00 0.00 57.03 57.17 2jm5 h ASP 128 Cb 0.39 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 2jm5 h ASP 128 CO 0.03 0.88 -0.24 -0.07 -2.88 0.00 0.00 179.24 176.95 2jm5 h LEU 129 N 0.84 0.00 0.00 2.28 3.38 -0.85 -2.03 115.31 118.93 2jm5 h LEU 129 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2jm5 h LEU 129 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2jm5 h LEU 129 CO -0.00 0.24 0.00 0.23 0.09 0.00 0.00 178.44 179.00 2jm5 n MET 130 N -3.54 0.00 0.11 1.13 2.81 -0.24 -4.26 117.12 113.13 2jm5 n MET 130 Ca -0.01 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.84 2jm5 n MET 130 Cb 0.39 -0.11 0.11 0.00 -0.71 0.00 0.00 33.22 32.90 2jm5 n MET 130 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 2jm5 h GLU 131 N 0.00 0.11 -0.05 0.03 4.81 -0.65 -2.11 114.58 116.72 2jm5 h GLU 131 Ca 0.00 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 2jm5 h GLU 131 Cb 0.00 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2jm5 h GLU 131 CO 0.00 0.74 -0.22 0.78 -0.73 0.00 0.00 179.01 179.58 2jm5 h GLY 132 N 1.80 0.09 -5.28 1.92 0.00 -1.02 -3.49 103.07 97.09 2jm5 h GLY 132 Ca -0.01 -0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.27 2jm5 h GLY 132 CO 0.10 0.05 -1.23 -2.13 0.00 0.00 0.00 176.54 173.33 2jm5 n ARG 133 N -4.24 -3.73 0.00 4.80 0.63 -0.78 -4.99 116.66 108.35 2jm5 n ARG 133 Ca -0.02 2.89 0.13 0.00 -0.92 0.00 0.00 57.85 59.94 2jm5 n ARG 133 Cb 0.30 -4.25 0.77 0.00 0.45 0.00 0.00 32.46 29.73 2jm5 n ARG 133 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82