#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mey n LYS 3 N 0.00 2.98 0.00 5.31 5.02 -1.26 -4.45 118.16 125.76 1mey n LYS 3 Ca 0.00 -3.84 0.00 0.00 -2.02 0.00 0.00 58.31 52.45 1mey n LYS 3 Cb 0.00 -2.26 0.00 0.00 -0.02 0.00 0.00 35.03 32.75 1mey n LYS 3 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1mey n PRO 4 N -0.53 0.61 -4.10 1.97 -0.04 -1.25 -4.28 135.00 127.37 1mey n PRO 4 Ca 0.49 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.63 1mey n PRO 4 Cb 0.39 -1.29 -0.16 0.00 -0.04 0.00 0.00 33.50 32.40 1mey n PRO 4 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1mey s TYR 5 N -1.04 2.94 -0.06 0.54 2.02 -1.23 -5.05 117.35 115.47 1mey s TYR 5 Ca 0.00 -1.84 0.01 0.00 -0.37 0.00 0.00 57.07 54.87 1mey s TYR 5 Cb 0.00 -1.93 0.02 0.00 -0.40 0.00 0.00 41.96 39.65 1mey s TYR 5 CO 0.00 -0.83 -0.07 0.21 -1.57 0.00 0.00 175.55 173.30 1mey s LYS 6 N 1.24 1.12 0.02 -0.62 2.20 -1.26 -0.43 119.74 122.00 1mey s LYS 6 Ca 0.01 -0.19 -0.30 0.00 -0.36 0.00 0.00 55.97 55.12 1mey s LYS 6 Cb -0.15 -1.06 -0.07 0.00 -1.51 0.00 0.00 37.83 35.03 1mey s LYS 6 CO -0.10 -0.07 1.69 0.00 -0.36 0.00 0.00 175.35 176.51 1mey n PRO 8 N 6.47 0.01 -0.07 0.00 -0.04 -1.26 -1.32 135.00 138.78 1mey n PRO 8 Ca 0.17 0.30 -0.16 0.00 -0.04 0.00 0.00 63.50 63.77 1mey n PRO 8 Cb 0.42 -1.51 -0.14 0.00 -0.04 0.00 0.00 33.50 32.23 1mey n PRO 8 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1mey n GLU 9 N -1.53 0.69 0.00 0.54 -0.58 -1.26 -4.75 120.64 113.75 1mey n GLU 9 Ca 0.03 0.17 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 1mey n GLU 9 Cb 0.14 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.40 1mey n GLU 9 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1mey n GLY 11 N 0.37 1.10 3.75 0.00 0.00 -0.44 -5.01 105.19 104.97 1mey n GLY 11 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1mey n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mey s LYS 12 N -0.57 3.20 -0.02 1.61 1.02 -1.26 -4.57 119.74 119.15 1mey s LYS 12 Ca 0.00 2.20 0.02 0.00 0.02 0.00 0.00 55.97 58.21 1mey s LYS 12 Cb 0.00 -2.27 -0.03 0.00 -0.52 0.00 0.00 37.83 35.00 1mey s LYS 12 CO 0.00 -1.13 -0.05 -1.12 -0.92 0.00 0.00 175.35 172.13 1mey s SER 13 N -0.98 4.77 0.11 2.83 0.01 -1.26 -0.49 113.70 118.68 1mey s SER 13 Ca 0.71 -0.07 0.05 0.00 1.31 0.00 0.00 55.95 57.95 1mey s SER 13 Cb -0.39 -1.18 -0.04 0.00 0.21 0.00 0.00 66.02 64.62 1mey s SER 13 CO 0.47 0.31 -0.12 -0.36 0.41 0.00 0.00 173.24 173.94 1mey s PHE 14 N -0.96 1.24 -0.12 2.43 0.40 0.42 -4.99 117.98 116.41 1mey s PHE 14 Ca 0.16 -0.60 -0.13 0.00 -0.60 0.00 0.00 56.93 55.76 1mey s PHE 14 Cb -0.11 -0.66 -0.26 0.00 0.51 0.00 0.00 43.02 42.50 1mey s PHE 14 CO 0.06 0.08 0.46 0.66 0.70 0.00 0.00 175.22 177.18 1mey h SER 15 N 3.53 0.38 -2.89 1.36 4.64 -1.86 -3.25 113.55 115.47 1mey h SER 15 Ca -0.39 -0.86 -0.65 0.00 -0.47 0.00 0.00 61.79 59.43 1mey h SER 15 Cb 1.19 -0.12 -0.09 0.00 -0.31 0.00 0.00 62.40 63.07 1mey h SER 15 CO 0.52 1.71 -0.50 -1.10 -0.87 0.00 0.00 176.83 176.59 1mey s GLN 16 N -2.50 3.63 0.26 4.77 -0.21 -1.26 -4.74 119.66 119.61 1mey s GLN 16 Ca -0.21 -0.18 -0.05 0.00 0.02 0.00 0.00 55.36 54.94 1mey s GLN 16 Cb 0.05 -3.22 0.31 0.00 1.00 0.00 0.00 33.01 31.15 1mey s GLN 16 CO 0.76 0.62 1.87 1.03 -2.12 0.00 0.00 175.29 177.45 1mey h SER 17 N 5.52 1.01 0.55 5.90 0.87 -1.97 -2.43 113.55 123.00 1mey h SER 17 Ca -0.50 -0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 59.94 1mey h SER 17 Cb 1.20 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1mey h SER 17 CO 0.63 0.83 -0.13 0.28 -0.53 0.00 0.00 176.83 177.91 1mey h SER 18 N 1.13 0.00 1.14 6.23 0.02 -1.98 0.18 113.55 120.26 1mey h SER 18 Ca 0.28 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 61.06 1mey h SER 18 Cb 0.05 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 1mey h SER 18 CO -0.04 0.13 -0.84 0.78 -1.14 0.00 0.00 176.83 175.71 1mey h ASN 19 N 0.00 0.00 0.24 3.07 2.35 -1.86 -2.47 115.58 116.92 1mey h ASN 19 Ca -0.00 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.41 1mey h ASN 19 Cb 0.44 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.84 1mey h ASN 19 CO 0.02 0.84 -1.46 0.25 -1.65 0.00 0.00 177.43 175.43 1mey h LEU 20 N 0.00 0.86 -0.43 1.61 5.85 -1.14 -2.94 115.31 119.12 1mey h LEU 20 Ca -0.01 -0.91 0.07 0.00 0.84 0.00 0.00 57.88 57.87 1mey h LEU 20 Cb 1.64 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 42.33 1mey h LEU 20 CO 0.11 1.71 0.10 1.56 -0.34 0.00 0.00 178.44 181.57 1mey h GLN 21 N 0.16 0.23 0.00 1.25 4.20 -0.57 -1.31 115.11 119.07 1mey h GLN 21 Ca -0.25 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.39 1mey h GLN 21 Cb 2.15 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.87 1mey h GLN 21 CO 0.28 0.15 -0.25 1.57 -0.67 0.00 0.00 178.83 179.90 1mey h LYS 22 N 0.23 0.00 -0.15 1.46 2.10 -1.53 -3.12 116.57 115.56 1mey h LYS 22 Ca 0.21 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.84 1mey h LYS 22 Cb 0.25 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.57 1mey h LYS 22 CO -0.26 0.25 0.01 1.25 -2.00 0.00 0.00 179.45 178.70 1mey h HIS 23 N 0.00 0.28 0.00 0.07 2.76 -1.17 -2.02 115.15 115.07 1mey h HIS 23 Ca -0.00 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 1mey h HIS 23 Cb 0.85 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.74 1mey h HIS 23 CO 0.00 0.47 0.03 1.04 -1.30 0.00 0.00 177.93 178.17 1mey n GLN 24 N -4.77 0.02 0.05 5.26 6.02 -0.57 -0.38 117.38 123.02 1mey n GLN 24 Ca -0.05 0.50 0.13 0.00 -0.01 0.00 0.00 57.00 57.57 1mey n GLN 24 Cb 0.20 -1.61 0.43 0.00 1.02 0.00 0.00 30.24 30.28 1mey n GLN 24 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1mey n ARG 25 N -1.61 0.16 0.17 -1.09 1.74 -0.76 -3.05 116.66 112.22 1mey n ARG 25 Ca -0.00 0.11 0.13 0.00 -0.77 0.00 0.00 57.85 57.32 1mey n ARG 25 Cb 0.04 -1.66 0.43 0.00 -1.02 0.00 0.00 32.46 30.24 1mey n ARG 25 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1mey h THR 26 N 0.00 0.00 0.03 0.55 1.35 -0.82 -0.05 112.91 113.97 1mey h THR 26 Ca 0.00 -0.54 -0.36 0.00 -0.55 0.00 0.00 66.41 64.95 1mey h THR 26 Cb 0.64 1.47 -0.05 0.00 -1.73 0.00 0.00 68.15 68.49 1mey h THR 26 CO 0.00 0.00 -2.08 1.41 -0.25 0.00 0.00 175.52 174.60 1mey n HIS 27 N -2.61 0.59 0.16 4.73 8.25 -1.17 -4.38 115.22 120.79 1mey n HIS 27 Ca 0.03 0.18 0.05 0.00 -0.26 0.00 0.00 57.72 57.72 1mey n HIS 27 Cb 0.38 -1.07 0.08 0.00 1.12 0.00 0.00 29.99 30.50 1mey n HIS 27 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1mey h THR 28 N -0.46 0.68 0.00 1.59 1.35 -1.59 -3.47 112.91 111.01 1mey h THR 28 Ca -0.51 -1.93 0.00 0.00 -0.55 0.00 0.00 66.41 63.42 1mey h THR 28 Cb 1.73 2.31 0.00 0.00 -1.73 0.00 0.00 68.15 70.46 1mey h THR 28 CO -0.15 0.38 0.00 0.61 -0.25 0.00 0.00 175.52 176.11 1mey n GLY 29 N 1.14 0.54 3.68 5.82 0.00 -0.04 -4.98 105.19 111.35 1mey n GLY 29 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1mey n GLY 29 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1mey s GLU 30 N -0.04 4.25 -0.46 1.61 2.12 -1.16 -4.97 118.70 120.05 1mey s GLU 30 Ca 0.00 2.04 0.03 0.00 0.36 0.00 0.00 54.97 57.39 1mey s GLU 30 Cb 0.00 -3.65 0.14 0.00 0.26 0.00 0.00 34.13 30.88 1mey s GLU 30 CO 0.00 -0.65 0.26 0.15 -0.54 0.00 0.00 175.26 174.49 1mey s LYS 31 N 2.74 1.40 0.38 4.30 1.02 -1.26 -4.52 119.74 123.80 1mey s LYS 31 Ca 0.66 -2.15 0.25 0.00 0.02 0.00 0.00 55.97 54.75 1mey s LYS 31 Cb -0.32 -2.43 0.58 0.00 -0.52 0.00 0.00 37.83 35.14 1mey s LYS 31 CO 0.27 -1.18 1.69 -1.00 -0.92 0.00 0.00 175.35 174.21 1mey h PRO 32 N 6.55 0.00 -4.94 -1.68 0.13 -1.81 -3.38 132.00 126.87 1mey h PRO 32 Ca 0.01 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.46 1mey h PRO 32 Cb 0.91 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.86 1mey h PRO 32 CO 0.51 0.00 -0.10 0.71 -0.23 0.00 0.00 178.00 178.89 1mey s TYR 33 N -3.22 3.13 -0.10 1.56 2.02 -0.89 -4.94 117.35 114.91 1mey s TYR 33 Ca 0.07 -0.40 -0.01 0.00 -0.37 0.00 0.00 57.07 56.37 1mey s TYR 33 Cb 0.08 -3.15 -0.03 0.00 -0.40 0.00 0.00 41.96 38.46 1mey s TYR 33 CO 0.63 -0.82 -0.06 0.21 -1.57 0.00 0.00 175.55 173.94 1mey s LYS 34 N 2.34 3.06 0.15 -0.62 2.20 -1.26 -0.28 119.74 125.33 1mey s LYS 34 Ca 0.14 -0.55 -0.31 0.00 -0.36 0.00 0.00 55.97 54.89 1mey s LYS 34 Cb -0.18 -2.69 -0.10 0.00 -1.51 0.00 0.00 37.83 33.36 1mey s LYS 34 CO 0.14 0.51 1.58 0.00 -0.36 0.00 0.00 175.35 177.22 1mey h PRO 36 N 7.02 0.00 0.00 0.00 0.13 -1.95 -2.33 132.00 134.87 1mey h PRO 36 Ca -0.43 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.48 1mey h PRO 36 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1mey h PRO 36 CO 0.92 0.00 -1.40 -1.91 -0.23 0.00 0.00 178.00 175.37 1mey n GLU 37 N -2.55 0.55 0.00 0.86 2.13 -1.26 -4.67 120.64 115.69 1mey n GLU 37 Ca 0.02 0.46 0.07 0.00 0.66 0.00 0.00 57.16 58.36 1mey n GLU 37 Cb 0.28 -1.65 -0.07 0.00 0.27 0.00 0.00 31.44 30.27 1mey n GLU 37 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1mey n GLY 39 N 1.30 1.11 3.72 0.00 0.00 -0.88 -5.02 105.19 105.44 1mey n GLY 39 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1mey n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mey s LYS 40 N -0.36 4.33 0.04 1.61 1.02 -1.26 -4.51 119.74 120.60 1mey s LYS 40 Ca 0.00 2.11 -0.00 0.00 0.02 0.00 0.00 55.97 58.10 1mey s LYS 40 Cb 0.00 -3.21 -0.04 0.00 -0.52 0.00 0.00 37.83 34.06 1mey s LYS 40 CO 0.00 -0.40 0.15 -1.12 -0.92 0.00 0.00 175.35 173.07 1mey s SER 41 N 0.83 6.08 0.10 2.83 0.01 -1.26 -1.42 113.70 120.86 1mey s SER 41 Ca 0.62 0.21 0.05 0.00 1.31 0.00 0.00 55.95 58.15 1mey s SER 41 Cb -0.38 -1.82 -0.03 0.00 0.21 0.00 0.00 66.02 64.00 1mey s SER 41 CO 0.34 0.21 -0.14 -0.36 0.41 0.00 0.00 173.24 173.70 1mey s PHE 42 N -1.39 1.31 0.12 2.43 0.40 0.61 -4.96 117.98 116.50 1mey s PHE 42 Ca 0.30 -0.52 0.07 0.00 -0.60 0.00 0.00 56.93 56.18 1mey s PHE 42 Cb -0.13 -0.71 -0.21 0.00 0.51 0.00 0.00 43.02 42.48 1mey s PHE 42 CO 0.22 0.10 1.27 0.66 0.70 0.00 0.00 175.22 178.17 1mey h SER 43 N 3.86 0.00 -3.32 1.36 4.64 -1.86 -2.34 113.55 115.90 1mey h SER 43 Ca -0.40 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.27 1mey h SER 43 Cb 1.19 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.03 1mey h SER 43 CO 0.46 1.00 -0.73 -1.10 -0.87 0.00 0.00 176.83 175.59 1mey s GLN 44 N -2.71 3.47 0.62 4.77 -0.21 -1.26 -4.68 119.66 119.66 1mey s GLN 44 Ca 0.01 -0.63 0.37 0.00 0.02 0.00 0.00 55.36 55.12 1mey s GLN 44 Cb 0.10 -2.73 2.08 0.00 1.00 0.00 0.00 33.01 33.46 1mey s GLN 44 CO 0.82 0.20 2.30 0.66 -2.12 0.00 0.00 175.29 177.15 1mey h SER 45 N 6.76 0.00 1.71 5.90 4.64 -1.96 -1.19 113.55 129.41 1mey h SER 45 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1mey h SER 45 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1mey h SER 45 CO 0.58 0.01 0.00 0.77 -0.87 0.00 0.00 176.83 177.32 1mey h SER 46 N 0.00 0.00 1.11 4.97 4.64 -1.99 -2.61 113.55 119.67 1mey h SER 46 Ca -0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 1mey h SER 46 Cb 0.03 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.10 1mey h SER 46 CO 0.00 0.00 -0.93 0.44 -0.87 0.00 0.00 176.83 175.47 1mey h ASP 47 N 0.00 0.00 0.34 4.97 3.32 -1.64 -2.15 116.42 121.26 1mey h ASP 47 Ca 0.00 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.81 1mey h ASP 47 Cb 0.85 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 1mey h ASP 47 CO 0.00 0.75 -0.99 0.25 -1.72 0.00 0.00 179.24 177.53 1mey h LEU 48 N 0.00 0.56 -0.24 1.55 5.85 -1.45 -1.49 115.31 120.09 1mey h LEU 48 Ca -0.05 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.19 1mey h LEU 48 Cb 1.62 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.47 1mey h LEU 48 CO 0.09 1.27 0.09 1.56 -0.34 0.00 0.00 178.44 181.11 1mey h GLN 49 N 0.22 0.35 -0.59 1.25 1.08 -1.40 0.10 115.11 116.13 1mey h GLN 49 Ca -0.09 -0.07 0.04 0.00 -1.45 0.00 0.00 58.65 57.08 1mey h GLN 49 Cb 1.64 -0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 28.97 1mey h GLN 49 CO 0.17 0.41 0.33 0.87 -0.95 0.00 0.00 178.83 179.66 1mey h LYS 50 N 0.23 0.61 -0.14 1.46 1.57 -1.37 -2.73 116.57 116.20 1mey h LYS 50 Ca 0.08 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1mey h LYS 50 Cb 0.19 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1mey h LYS 50 CO -0.01 0.41 0.04 1.25 -0.57 0.00 0.00 179.45 180.57 1mey h HIS 51 N 0.63 0.07 0.00 -1.35 2.76 -0.75 -3.00 115.15 113.51 1mey h HIS 51 Ca 0.25 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.43 1mey h HIS 51 Cb 0.11 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.06 1mey h HIS 51 CO -0.08 0.03 0.00 1.96 -1.30 0.00 0.00 177.93 178.54 1mey h GLN 52 N 0.10 0.00 0.00 5.26 4.20 -0.67 0.89 115.11 124.89 1mey h GLN 52 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1mey h GLN 52 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1mey h GLN 52 CO -0.07 0.00 0.00 0.54 -0.67 0.00 0.00 178.83 178.63 1mey n ARG 53 N -2.97 0.03 0.00 1.46 1.74 -1.13 -2.08 116.66 113.70 1mey n ARG 53 Ca -0.02 0.29 0.13 0.00 -0.77 0.00 0.00 57.85 57.48 1mey n ARG 53 Cb 0.10 -1.56 0.50 0.00 -1.02 0.00 0.00 32.46 30.48 1mey n ARG 53 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1mey n THR 54 N -1.61 0.00 -0.11 0.55 -2.24 0.31 -2.81 114.28 108.37 1mey n THR 54 Ca 0.03 -0.01 -0.15 0.00 -2.27 0.00 0.00 64.05 61.66 1mey n THR 54 Cb 0.17 -0.20 -0.11 0.00 -2.10 0.00 0.00 70.33 68.09 1mey n THR 54 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1mey n HIS 55 N -1.44 0.00 0.10 4.78 8.25 -0.88 -4.57 115.22 121.47 1mey n HIS 55 Ca 0.07 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.52 1mey n HIS 55 Cb 0.33 -0.86 -0.04 0.00 1.12 0.00 0.00 29.99 30.54 1mey n HIS 55 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1mey h THR 56 N 0.00 1.20 0.00 1.59 1.35 -1.63 -3.48 112.91 111.94 1mey h THR 56 Ca -0.50 -2.70 0.00 0.00 -0.55 0.00 0.00 66.41 62.66 1mey h THR 56 Cb 1.82 2.59 0.00 0.00 -1.73 0.00 0.00 68.15 70.82 1mey h THR 56 CO -0.06 0.68 0.00 0.61 -0.25 0.00 0.00 175.52 176.50 1mey n GLY 57 N 1.28 0.76 3.62 5.82 0.00 -1.12 -5.00 105.19 110.55 1mey n GLY 57 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1mey n GLY 57 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1mey s GLU 58 N -0.31 3.78 -0.64 1.61 2.12 -1.25 -4.94 118.70 119.06 1mey s GLU 58 Ca 0.00 1.40 0.05 0.00 0.36 0.00 0.00 54.97 56.78 1mey s GLU 58 Cb 0.00 -3.99 0.19 0.00 0.26 0.00 0.00 34.13 30.59 1mey s GLU 58 CO 0.00 -1.30 0.53 1.63 -0.54 0.00 0.00 175.26 175.57 1mey n LYS 59 N 7.64 1.71 0.23 4.30 5.02 -1.26 -4.46 118.16 131.33 1mey n LYS 59 Ca 0.17 -4.30 0.17 0.00 -2.02 0.00 0.00 58.31 52.33 1mey n LYS 59 Cb 0.46 -2.15 0.87 0.00 -0.02 0.00 0.00 35.03 34.18 1mey n LYS 59 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1mey h PRO 60 N 5.12 0.00 -5.47 1.97 0.11 -1.82 -3.40 132.00 128.51 1mey h PRO 60 Ca 0.17 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.65 1mey h PRO 60 Cb 0.76 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 31.76 1mey h PRO 60 CO 0.68 0.00 -0.51 0.71 -0.21 0.00 0.00 178.00 178.67 1mey s TYR 61 N -4.58 3.43 0.04 0.65 1.51 -1.06 -5.00 117.35 112.34 1mey s TYR 61 Ca -0.05 0.35 0.07 0.00 -1.01 0.00 0.00 57.07 56.42 1mey s TYR 61 Cb 0.15 -2.03 -0.02 0.00 -0.11 0.00 0.00 41.96 39.94 1mey s TYR 61 CO 0.53 0.45 -0.19 0.21 -1.11 0.00 0.00 175.55 175.44 1mey s LYS 62 N -0.27 1.27 -0.15 -0.62 2.20 -1.26 -1.01 119.74 119.90 1mey s LYS 62 Ca 0.10 -0.87 -0.23 0.00 -0.36 0.00 0.00 55.97 54.61 1mey s LYS 62 Cb -0.12 -1.35 -0.02 0.00 -1.51 0.00 0.00 37.83 34.83 1mey s LYS 62 CO 0.01 0.34 0.73 0.00 -0.36 0.00 0.00 175.35 176.07 1mey h PRO 64 N 7.23 0.00 0.12 0.00 0.13 -1.94 0.53 132.00 138.08 1mey h PRO 64 Ca -0.33 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.50 1mey h PRO 64 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1mey h PRO 64 CO 0.79 0.00 -1.47 1.49 -0.23 0.00 0.00 178.00 178.58 1mey h GLU 65 N 0.00 0.25 0.00 0.86 4.81 -1.97 -3.39 114.58 115.13 1mey h GLU 65 Ca 0.00 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1mey h GLU 65 Cb 0.71 0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.25 1mey h GLU 65 CO 0.00 1.12 0.00 0.00 -0.73 0.00 0.00 179.01 179.40 1mey n GLY 67 N -0.03 0.98 3.76 0.00 0.00 0.19 -4.99 105.19 105.10 1mey n GLY 67 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1mey n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mey s LYS 68 N -0.23 3.52 0.25 1.61 2.20 -1.25 -4.47 119.74 121.36 1mey s LYS 68 Ca 0.00 2.32 0.10 0.00 -0.36 0.00 0.00 55.97 58.03 1mey s LYS 68 Cb 0.00 -2.52 -0.04 0.00 -1.51 0.00 0.00 37.83 33.76 1mey s LYS 68 CO 0.00 -0.91 -0.09 -1.12 -0.36 0.00 0.00 175.35 172.87 1mey s SER 69 N -0.70 4.17 0.07 1.43 0.01 -1.26 -0.14 113.70 117.28 1mey s SER 69 Ca 0.64 -0.74 -0.05 0.00 1.31 0.00 0.00 55.95 57.11 1mey s SER 69 Cb -0.42 -0.64 -0.02 0.00 0.21 0.00 0.00 66.02 65.15 1mey s SER 69 CO 0.52 0.04 0.10 -0.36 0.41 0.00 0.00 173.24 173.95 1mey s PHE 70 N -2.19 0.33 -0.70 2.43 0.40 -0.18 -5.01 117.98 113.06 1mey s PHE 70 Ca 0.29 -0.81 0.24 0.00 -0.60 0.00 0.00 56.93 56.05 1mey s PHE 70 Cb -0.07 -0.21 0.28 0.00 0.51 0.00 0.00 43.02 43.54 1mey s PHE 70 CO 0.17 -0.48 1.25 -1.13 0.70 0.00 0.00 175.22 175.73 1mey n SER 71 N 0.01 0.64 -4.06 1.36 3.41 -1.26 -2.56 113.62 111.15 1mey n SER 71 Ca -0.14 -0.05 -0.20 0.00 -0.26 0.00 0.00 58.87 58.22 1mey n SER 71 Cb 0.62 0.37 -0.15 0.00 -0.26 0.00 0.00 64.21 64.79 1mey n SER 71 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1mey s ARG 72 N -3.14 0.88 0.36 4.33 0.52 -1.26 -4.66 118.95 115.98 1mey s ARG 72 Ca 0.06 -0.44 0.10 0.00 -0.52 0.00 0.00 55.73 54.93 1mey s ARG 72 Cb 0.14 -0.85 0.68 0.00 0.52 0.00 0.00 34.95 35.44 1mey s ARG 72 CO 0.74 0.23 1.83 0.66 0.02 0.00 0.00 175.30 178.78 1mey h SER 73 N 5.74 0.16 0.81 0.23 4.64 -1.98 -2.07 113.55 121.07 1mey h SER 73 Ca -0.33 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 60.93 1mey h SER 73 Cb 1.17 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1mey h SER 73 CO 0.49 0.45 -0.07 -2.24 -0.87 0.00 0.00 176.83 174.58 1mey h ASP 74 N 0.15 0.00 0.07 4.97 2.03 -1.99 0.91 116.42 122.56 1mey h ASP 74 Ca 0.02 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.14 1mey h ASP 74 Cb 0.58 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 39.10 1mey h ASP 74 CO 0.04 0.07 -0.74 0.45 -1.03 0.00 0.00 179.24 178.03 1mey h HIS 75 N 0.00 0.61 0.44 4.15 3.86 -1.84 -2.16 115.15 120.22 1mey h HIS 75 Ca -0.00 -0.38 -0.01 0.00 -1.16 0.00 0.00 60.37 58.82 1mey h HIS 75 Cb 0.49 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.89 1mey h HIS 75 CO 0.00 1.24 -0.39 1.25 0.86 0.00 0.00 177.93 180.89 1mey h LEU 76 N -0.19 -1.05 -0.34 2.43 5.85 -0.59 -0.18 115.31 121.24 1mey h LEU 76 Ca -0.11 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.71 1mey h LEU 76 Cb 1.50 0.34 -0.03 0.00 0.37 0.00 0.00 40.66 42.85 1mey h LEU 76 CO 0.14 -0.56 0.18 0.77 -0.34 0.00 0.00 178.44 178.64 1mey h SER 77 N -0.84 0.28 -0.75 1.25 4.64 -0.97 0.21 113.55 117.37 1mey h SER 77 Ca -0.04 0.01 0.07 0.00 -0.47 0.00 0.00 61.79 61.35 1mey h SER 77 Cb 0.73 -0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 62.72 1mey h SER 77 CO -0.04 0.21 0.43 -0.09 -0.87 0.00 0.00 176.83 176.47 1mey h ARG 78 N 0.37 0.76 -0.06 4.77 2.43 -1.23 -1.86 114.38 119.55 1mey h ARG 78 Ca 0.14 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 1mey h ARG 78 Cb 0.03 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.41 1mey h ARG 78 CO -0.08 0.50 -0.07 1.25 -1.51 0.00 0.00 179.97 180.06 1mey h HIS 79 N 0.78 0.19 -0.65 2.20 2.76 -0.57 -3.31 115.15 116.55 1mey h HIS 79 Ca 0.34 -0.06 0.05 0.00 -2.20 0.00 0.00 60.37 58.50 1mey h HIS 79 Cb 0.21 -0.04 -0.05 0.00 1.55 0.00 0.00 27.41 29.08 1mey h HIS 79 CO -0.06 0.62 0.36 1.96 -1.30 0.00 0.00 177.93 179.51 1mey h GLN 80 N -0.29 0.66 0.00 5.26 4.20 -0.23 0.23 115.11 124.94 1mey h GLN 80 Ca 0.01 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1mey h GLN 80 Cb 0.59 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1mey h GLN 80 CO 0.02 0.44 0.02 0.54 -0.67 0.00 0.00 178.83 179.18 1mey n ARG 81 N -4.79 0.00 -0.02 1.46 3.00 -0.73 -0.84 116.66 114.74 1mey n ARG 81 Ca 0.08 0.21 -0.13 0.00 -0.01 0.00 0.00 57.85 58.00 1mey n ARG 81 Cb 0.16 -1.52 -0.10 0.00 0.00 0.00 0.00 32.46 31.00 1mey n ARG 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1mey h THR 82 N 0.00 1.43 0.00 0.55 1.03 -0.64 -2.95 112.91 112.33 1mey h THR 82 Ca 0.00 -1.27 0.00 0.00 -0.01 0.00 0.00 66.41 65.13 1mey h THR 82 Cb 0.04 2.27 0.00 0.00 -1.07 0.00 0.00 68.15 69.40 1mey h THR 82 CO 0.00 0.33 0.00 1.41 -0.01 0.00 0.00 175.52 177.25 1mey n HIS 83 N -4.81 0.30 1.81 0.00 8.25 -0.02 -5.16 115.22 115.59 1mey n HIS 83 Ca -0.09 0.12 0.14 0.00 -0.26 0.00 0.00 57.72 57.64 1mey n HIS 83 Cb 0.28 -0.69 0.86 0.00 1.12 0.00 0.00 29.99 31.56 1mey n HIS 83 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02