#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mey n GLU 2 N 0.00 0.90 -3.68 0.03 2.13 -1.26 -4.82 120.64 113.94 1mey n GLU 2 Ca 0.00 0.05 -0.29 0.00 0.66 0.00 0.00 57.16 57.58 1mey n GLU 2 Cb 0.00 -1.45 -0.12 0.00 0.27 0.00 0.00 31.44 30.13 1mey n GLU 2 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1mey s LYS 3 N -2.44 1.38 0.49 5.31 1.02 -1.26 -4.22 119.74 120.02 1mey s LYS 3 Ca -0.17 -2.20 0.28 0.00 0.02 0.00 0.00 55.97 53.90 1mey s LYS 3 Cb 0.06 -2.31 0.88 0.00 -0.52 0.00 0.00 37.83 35.94 1mey s LYS 3 CO 0.64 -1.22 1.81 -1.35 -0.92 0.00 0.00 175.35 174.31 1mey h PRO 4 N 6.37 0.00 -5.01 -1.68 0.11 -1.78 -3.41 132.00 126.60 1mey h PRO 4 Ca 0.06 0.00 -0.69 0.00 0.11 0.00 0.00 66.00 65.48 1mey h PRO 4 Cb 0.90 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 31.83 1mey h PRO 4 CO 0.49 0.02 0.73 0.71 -0.21 0.00 0.00 178.00 179.74 1mey s TYR 5 N -3.46 3.08 -0.00 0.65 2.02 -0.49 -4.89 117.35 114.26 1mey s TYR 5 Ca 0.04 -1.29 -0.30 0.00 -0.37 0.00 0.00 57.07 55.15 1mey s TYR 5 Cb 0.07 -4.25 -0.03 0.00 -0.40 0.00 0.00 41.96 37.35 1mey s TYR 5 CO 0.61 -1.48 0.97 0.21 -1.57 0.00 0.00 175.55 174.28 1mey s LYS 6 N 2.76 4.55 0.11 -0.62 2.47 -1.26 -0.99 119.74 126.76 1mey s LYS 6 Ca 0.30 1.39 -0.25 0.00 -1.56 0.00 0.00 55.97 55.85 1mey s LYS 6 Cb -0.07 -3.46 -0.07 0.00 -1.46 0.00 0.00 37.83 32.77 1mey s LYS 6 CO -0.06 -0.04 0.77 0.00 0.16 0.00 0.00 175.35 176.17 1mey h PRO 8 N 4.96 0.00 0.00 0.00 0.13 -1.96 -3.28 132.00 131.85 1mey h PRO 8 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1mey h PRO 8 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1mey h PRO 8 CO 0.68 0.41 -0.49 0.93 -0.23 0.00 0.00 178.00 179.30 1mey h GLU 9 N 0.00 0.00 0.00 0.86 3.07 -1.98 -3.44 114.58 113.09 1mey h GLU 9 Ca -0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1mey h GLU 9 Cb 1.39 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.30 1mey h GLU 9 CO 0.05 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.66 1mey n GLY 11 N 2.17 0.34 3.85 0.00 0.00 -1.24 -5.04 105.19 105.27 1mey n GLY 11 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 3.84 0.14 1.61 -0.14 -1.26 -4.88 119.74 119.05 1mey s LYS 12 Ca 0.00 0.31 0.06 0.00 -1.36 0.00 0.00 55.97 54.98 1mey s LYS 12 Cb 0.00 -3.16 -0.04 0.00 -1.68 0.00 0.00 37.83 32.95 1mey s LYS 12 CO 0.00 0.67 0.03 -1.12 -0.76 0.00 0.00 175.35 174.17 1mey s SER 13 N -1.24 5.03 0.07 2.83 0.01 -1.26 -1.46 113.70 117.68 1mey s SER 13 Ca 0.25 -0.26 0.04 0.00 1.31 0.00 0.00 55.95 57.30 1mey s SER 13 Cb -0.16 -1.17 -0.03 0.00 0.21 0.00 0.00 66.02 64.87 1mey s SER 13 CO 0.14 0.12 -0.12 -0.36 0.41 0.00 0.00 173.24 173.42 1mey s PHE 14 N -1.58 1.08 0.14 2.43 0.40 -0.16 -4.92 117.98 115.36 1mey s PHE 14 Ca 0.28 -0.51 -0.13 0.00 -0.60 0.00 0.00 56.93 55.97 1mey s PHE 14 Cb -0.10 -0.61 0.01 0.00 0.51 0.00 0.00 43.02 42.83 1mey s PHE 14 CO 0.20 0.02 1.60 0.66 0.70 0.00 0.00 175.22 178.40 1mey h SER 15 N 4.18 0.80 -3.28 1.36 4.64 -1.89 -1.27 113.55 118.09 1mey h SER 15 Ca -0.39 -0.29 -0.66 0.00 -0.47 0.00 0.00 61.79 59.97 1mey h SER 15 Cb 1.19 -0.21 -0.30 0.00 -0.31 0.00 0.00 62.40 62.77 1mey h SER 15 CO 0.43 0.90 -0.80 -1.10 -0.87 0.00 0.00 176.83 175.39 1mey s GLN 16 N -5.06 3.24 0.49 4.77 -0.21 -1.26 -4.60 119.66 117.02 1mey s GLN 16 Ca -0.13 -0.74 0.24 0.00 0.02 0.00 0.00 55.36 54.76 1mey s GLN 16 Cb 0.11 -2.64 1.30 0.00 1.00 0.00 0.00 33.01 32.77 1mey s GLN 16 CO 0.81 0.02 1.90 0.66 -2.12 0.00 0.00 175.29 176.56 1mey h SER 17 N 7.29 0.17 -0.00 5.90 4.64 -1.96 0.71 113.55 130.29 1mey h SER 17 Ca -0.33 0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 60.92 1mey h SER 17 Cb 1.19 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1mey h SER 17 CO 0.57 0.07 -0.25 0.28 -0.87 0.00 0.00 176.83 176.63 1mey h SER 18 N 0.17 0.41 -0.14 4.97 0.02 -1.99 0.48 113.55 117.49 1mey h SER 18 Ca 0.41 -0.13 -0.10 0.00 -0.84 0.00 0.00 61.79 61.12 1mey h SER 18 Cb 1.34 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1mey h SER 18 CO -0.08 0.66 -0.31 0.78 -1.14 0.00 0.00 176.83 176.75 1mey h ASN 19 N 0.37 0.51 -0.14 3.07 2.35 -0.03 -2.23 115.58 119.48 1mey h ASN 19 Ca 0.06 -0.57 -0.01 0.00 -0.55 0.00 0.00 56.30 55.23 1mey h ASN 19 Cb 0.64 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 1mey h ASN 19 CO 0.05 0.99 0.07 0.25 -1.65 0.00 0.00 177.43 177.14 1mey h LEU 20 N 0.05 0.20 0.66 1.61 5.85 -1.09 0.62 115.31 123.22 1mey h LEU 20 Ca -0.00 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1mey h LEU 20 Cb 0.91 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 41.90 1mey h LEU 20 CO 0.07 0.18 -0.32 -0.61 -0.34 0.00 0.00 178.44 177.43 1mey h GLN 21 N 0.23 -0.85 -0.44 1.25 4.15 -0.58 0.83 115.11 119.70 1mey h GLN 21 Ca 0.06 0.06 0.08 0.00 0.77 0.00 0.00 58.65 59.62 1mey h GLN 21 Cb 0.04 0.19 -0.07 0.00 0.21 0.00 0.00 27.48 27.86 1mey h GLN 21 CO -0.01 -0.57 0.04 1.57 -1.93 0.00 0.00 178.83 177.94 1mey h LYS 22 N -0.89 0.16 -0.53 1.69 2.10 -1.09 -2.08 116.57 115.91 1mey h LYS 22 Ca -0.09 -0.01 0.10 0.00 -2.00 0.00 0.00 60.65 58.65 1mey h LYS 22 Cb 0.68 -0.04 -0.11 0.00 -0.90 0.00 0.00 32.23 31.87 1mey h LYS 22 CO 0.15 0.10 -0.33 1.25 -2.00 0.00 0.00 179.45 178.62 1mey h HIS 23 N 0.16 -0.90 -1.17 0.07 2.76 -0.66 0.48 115.15 115.88 1mey h HIS 23 Ca 0.22 0.07 0.33 0.00 -2.20 0.00 0.00 60.37 58.79 1mey h HIS 23 Cb 0.30 0.47 -0.08 0.00 1.55 0.00 0.00 27.41 29.66 1mey h HIS 23 CO -0.25 -0.38 0.80 1.96 -1.30 0.00 0.00 177.93 178.76 1mey h GLN 24 N -0.18 0.17 -0.25 5.26 4.20 -0.11 0.25 115.11 124.45 1mey h GLN 24 Ca 0.21 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.99 1mey h GLN 24 Cb 0.54 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 1mey h GLN 24 CO -0.63 0.11 0.20 0.00 -0.67 0.00 0.00 178.83 177.84 1mey h ARG 25 N 0.18 0.00 0.00 1.46 3.08 0.04 0.50 114.38 119.64 1mey h ARG 25 Ca 0.63 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.66 1mey h ARG 25 Cb 2.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 32.09 1mey h ARG 25 CO -0.18 0.00 -0.05 1.79 -1.07 0.00 0.00 179.97 180.45 1mey h THR 26 N 0.00 0.53 0.08 2.04 1.35 -0.58 0.64 112.91 116.97 1mey h THR 26 Ca 0.12 -0.24 -0.27 0.00 -0.55 0.00 0.00 66.41 65.47 1mey h THR 26 Cb 0.51 1.15 -0.01 0.00 -1.73 0.00 0.00 68.15 68.07 1mey h THR 26 CO -0.00 0.05 -1.32 0.45 -0.25 0.00 0.00 175.52 174.45 1mey h HIS 27 N 0.00 0.32 -0.66 4.73 3.86 -0.13 -3.35 115.15 119.93 1mey h HIS 27 Ca -0.00 -0.24 0.00 0.00 -1.16 0.00 0.00 60.37 58.97 1mey h HIS 27 Cb 0.15 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.61 1mey h HIS 27 CO 0.00 1.23 0.00 0.25 0.86 0.00 0.00 177.93 180.27 1mey n THR 28 N -3.42 0.97 -0.16 2.45 -2.24 -0.44 -4.94 114.28 106.49 1mey n THR 28 Ca -0.10 -0.98 0.00 0.00 -2.27 0.00 0.00 64.05 60.70 1mey n THR 28 Cb 1.01 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 1mey n THR 28 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mey n GLY 29 N 1.47 0.00 3.68 3.38 0.00 0.09 -4.84 105.19 108.97 1mey n GLY 29 Ca 0.22 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.80 1mey n GLY 29 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1mey n GLU 30 N -1.35 2.50 -3.80 1.61 2.13 -1.24 -4.97 120.64 115.53 1mey n GLU 30 Ca 0.00 0.91 -0.29 0.00 0.66 0.00 0.00 57.16 58.44 1mey n GLU 30 Cb 0.00 -2.76 -0.13 0.00 0.27 0.00 0.00 31.44 28.82 1mey n GLU 30 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1mey s LYS 31 N 2.55 1.77 0.00 5.31 1.02 -1.26 -4.56 119.74 124.57 1mey s LYS 31 Ca 0.83 -2.56 0.06 0.00 0.02 0.00 0.00 55.97 54.32 1mey s LYS 31 Cb -0.58 -2.81 0.34 0.00 -0.52 0.00 0.00 37.83 34.25 1mey s LYS 31 CO 0.41 -1.21 0.84 -0.35 -0.92 0.00 0.00 175.35 174.12 1mey n PRO 32 N 2.91 0.17 -3.88 -1.68 -0.04 -1.13 -4.06 135.00 127.29 1mey n PRO 32 Ca 0.13 0.04 -0.30 0.00 -0.04 0.00 0.00 63.50 63.32 1mey n PRO 32 Cb 0.35 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.16 1mey n PRO 32 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1mey s TYR 33 N -2.09 2.67 -0.10 0.54 1.51 -0.70 -4.99 117.35 114.19 1mey s TYR 33 Ca 0.08 -2.28 -0.08 0.00 -1.01 0.00 0.00 57.07 53.78 1mey s TYR 33 Cb 0.04 -2.21 -0.04 0.00 -0.11 0.00 0.00 41.96 39.64 1mey s TYR 33 CO 0.07 -0.89 0.18 0.21 -1.11 0.00 0.00 175.55 174.01 1mey s LYS 34 N 1.29 3.56 0.18 -0.62 2.20 -1.26 -0.02 119.74 125.06 1mey s LYS 34 Ca 0.08 -0.05 -0.31 0.00 -0.36 0.00 0.00 55.97 55.34 1mey s LYS 34 Cb -0.18 -3.21 -0.09 0.00 -1.51 0.00 0.00 37.83 32.84 1mey s LYS 34 CO -0.15 0.74 1.45 0.00 -0.36 0.00 0.00 175.35 177.03 1mey n PRO 36 N 3.28 1.15 0.00 0.00 -0.04 -1.26 -2.62 135.00 135.50 1mey n PRO 36 Ca 0.10 -0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1mey n PRO 36 Cb 0.40 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1mey n PRO 36 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1mey n GLU 37 N -0.68 0.00 0.02 0.54 4.07 -1.26 -4.81 120.64 118.52 1mey n GLU 37 Ca 0.20 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.29 1mey n GLU 37 Cb 0.15 -0.28 -0.09 0.00 -0.06 0.00 0.00 31.44 31.16 1mey n GLU 37 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1mey n GLY 39 N 1.42 0.86 3.15 0.00 0.00 -1.08 -5.06 105.19 104.49 1mey n GLY 39 Ca -0.11 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.69 3.03 0.07 1.61 1.02 -1.26 -4.89 119.74 116.63 1mey s LYS 40 Ca 0.00 -0.83 -0.15 0.00 0.02 0.00 0.00 55.97 55.01 1mey s LYS 40 Cb 0.00 -2.54 -0.06 0.00 -0.52 0.00 0.00 37.83 34.71 1mey s LYS 40 CO 0.00 -0.13 0.48 -1.12 -0.92 0.00 0.00 175.35 173.67 1mey s SER 41 N 1.10 6.86 0.19 2.83 0.01 -1.26 -0.17 113.70 123.26 1mey s SER 41 Ca 0.00 1.05 0.11 0.00 1.31 0.00 0.00 55.95 58.42 1mey s SER 41 Cb -0.14 -2.28 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 1mey s SER 41 CO -0.08 0.24 -0.22 -0.36 0.41 0.00 0.00 173.24 173.23 1mey s PHE 42 N -1.22 2.18 -2.25 2.43 0.40 0.97 -4.88 117.98 115.60 1mey s PHE 42 Ca 0.30 -0.38 0.30 0.00 -0.60 0.00 0.00 56.93 56.54 1mey s PHE 42 Cb -0.17 -1.06 1.39 0.00 0.51 0.00 0.00 43.02 43.69 1mey s PHE 42 CO 0.17 0.48 1.94 -1.13 0.70 0.00 0.00 175.22 177.38 1mey n SER 43 N 0.18 0.86 -3.84 1.36 3.41 -1.26 -1.71 113.62 112.61 1mey n SER 43 Ca -0.12 -1.25 -0.12 0.00 -0.26 0.00 0.00 58.87 57.12 1mey n SER 43 Cb 0.57 -0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.38 1mey n SER 43 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1mey s GLN 44 N -2.03 0.07 0.16 4.33 -0.21 -1.26 -4.77 119.66 115.95 1mey s GLN 44 Ca 0.41 0.11 -0.20 0.00 0.02 0.00 0.00 55.36 55.71 1mey s GLN 44 Cb 0.21 0.00 0.07 0.00 1.00 0.00 0.00 33.01 34.30 1mey s GLN 44 CO 0.36 -0.03 1.64 0.77 -2.12 0.00 0.00 175.29 175.90 1mey h SER 45 N 6.21 -0.67 -0.29 5.90 0.02 -1.95 -2.14 113.55 120.62 1mey h SER 45 Ca -0.27 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1mey h SER 45 Cb 1.20 0.35 -0.01 0.00 0.14 0.00 0.00 62.40 64.07 1mey h SER 45 CO 0.47 -0.23 0.19 0.77 -1.14 0.00 0.00 176.83 176.88 1mey h SER 46 N -0.15 0.34 0.04 3.07 4.64 -1.99 -2.46 113.55 117.04 1mey h SER 46 Ca 0.17 -0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 61.28 1mey h SER 46 Cb 0.42 -0.09 0.02 0.00 -0.31 0.00 0.00 62.40 62.44 1mey h SER 46 CO -0.44 0.26 -0.82 0.44 -0.87 0.00 0.00 176.83 175.40 1mey h ASP 47 N 0.40 0.65 0.07 4.97 3.32 -1.82 -1.92 116.42 122.09 1mey h ASP 47 Ca 0.11 -0.80 -0.01 0.00 0.02 0.00 0.00 57.03 56.35 1mey h ASP 47 Cb -0.03 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 1mey h ASP 47 CO -0.02 1.37 -0.06 0.25 -1.72 0.00 0.00 179.24 179.06 1mey h LEU 48 N 0.01 0.00 0.75 1.55 5.85 -1.36 -0.96 115.31 121.15 1mey h LEU 48 Ca -0.11 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 1mey h LEU 48 Cb 1.53 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.57 1mey h LEU 48 CO 0.16 0.06 -0.36 -0.61 -0.34 0.00 0.00 178.44 177.35 1mey h GLN 49 N 0.00 -0.97 0.08 1.25 -0.00 -1.22 -1.99 115.11 112.26 1mey h GLN 49 Ca -0.00 0.07 0.02 0.00 -0.00 0.00 0.00 58.65 58.74 1mey h GLN 49 Cb 0.11 0.22 -0.04 0.00 0.00 0.00 0.00 27.48 27.77 1mey h GLN 49 CO 0.01 -0.64 -0.29 0.87 0.00 0.00 0.00 178.83 178.78 1mey h LYS 50 N -1.04 -0.47 -0.70 1.69 1.57 -0.80 -3.22 116.57 113.61 1mey h LYS 50 Ca -0.10 0.03 0.16 0.00 -1.87 0.00 0.00 60.65 58.86 1mey h LYS 50 Cb 0.78 0.11 -0.12 0.00 0.08 0.00 0.00 32.23 33.08 1mey h LYS 50 CO 0.17 -0.31 0.03 1.25 -0.57 0.00 0.00 179.45 180.02 1mey h HIS 51 N -0.49 0.01 -0.27 -1.35 2.76 -1.13 -0.23 115.15 114.45 1mey h HIS 51 Ca 0.04 0.05 0.08 0.00 -2.20 0.00 0.00 60.37 58.34 1mey h HIS 51 Cb 0.53 0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.59 1mey h HIS 51 CO -0.28 -0.19 0.33 1.96 -1.30 0.00 0.00 177.93 178.45 1mey h GLN 52 N 0.13 0.00 0.00 5.26 4.20 -1.36 0.12 115.11 123.46 1mey h GLN 52 Ca 0.38 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.09 1mey h GLN 52 Cb 0.65 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.43 1mey h GLN 52 CO -0.59 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 177.57 1mey h ARG 53 N 0.00 0.00 -0.00 1.46 3.08 -1.15 -0.29 114.38 117.48 1mey h ARG 53 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1mey h ARG 53 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1mey h ARG 53 CO -0.00 0.00 -0.02 0.25 -1.07 0.00 0.00 179.97 179.13 1mey n THR 54 N -2.96 0.00 -0.10 2.04 -2.24 0.43 -1.19 114.28 110.26 1mey n THR 54 Ca 0.00 -0.01 -0.14 0.00 -2.27 0.00 0.00 64.05 61.63 1mey n THR 54 Cb 0.27 -0.43 -0.05 0.00 -2.10 0.00 0.00 70.33 68.02 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 -1.17 0.14 -0.35 4.78 8.25 -0.24 -4.66 115.22 121.97 1mey n HIS 55 Ca 0.16 0.06 0.03 0.00 -0.26 0.00 0.00 57.72 57.71 1mey n HIS 55 Cb 0.22 -0.68 0.18 0.00 1.12 0.00 0.00 29.99 30.83 1mey n HIS 55 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1mey h THR 56 N -1.00 1.03 -1.18 1.59 1.03 -1.16 -3.46 112.91 109.75 1mey h THR 56 Ca -0.20 -0.37 0.00 0.00 -0.01 0.00 0.00 66.41 65.84 1mey h THR 56 Cb 1.12 -0.13 0.00 0.00 -1.07 0.00 0.00 68.15 68.07 1mey h THR 56 CO -0.12 0.19 0.00 0.61 -0.01 0.00 0.00 175.52 176.19 1mey n GLY 57 N -1.35 0.70 3.28 2.99 0.00 -0.33 -5.04 105.19 105.44 1mey n GLY 57 Ca 0.15 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.35 2.66 -0.77 1.61 2.56 -1.18 -5.05 118.70 115.20 1mey s GLU 58 Ca 0.00 -1.48 -0.08 0.00 0.00 0.00 0.00 54.97 53.40 1mey s GLU 58 Cb 0.00 -3.87 0.20 0.00 2.00 0.00 0.00 34.13 32.46 1mey s GLU 58 CO 0.00 -1.00 0.65 0.15 -0.56 0.00 0.00 175.26 174.50 1mey s LYS 59 N 1.46 3.19 0.11 4.30 1.02 -1.26 -4.17 119.74 124.39 1mey s LYS 59 Ca 0.03 -2.60 0.25 0.00 0.02 0.00 0.00 55.97 53.68 1mey s LYS 59 Cb -0.24 -4.12 0.60 0.00 -0.52 0.00 0.00 37.83 33.56 1mey s LYS 59 CO 0.03 -1.24 1.53 -0.35 -0.92 0.00 0.00 175.35 174.40 1mey n PRO 60 N 3.58 0.21 -3.47 -1.68 -0.04 -0.46 -4.41 135.00 128.72 1mey n PRO 60 Ca 0.13 0.10 -0.43 0.00 -0.04 0.00 0.00 63.50 63.25 1mey n PRO 60 Cb 0.42 -1.67 -0.06 0.00 -0.04 0.00 0.00 33.50 32.15 1mey n PRO 60 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1mey s TYR 61 N -3.10 3.52 0.35 0.54 1.51 0.18 -4.86 117.35 115.48 1mey s TYR 61 Ca 0.09 -2.01 -0.19 0.00 -1.01 0.00 0.00 57.07 53.95 1mey s TYR 61 Cb 0.14 -3.60 -0.10 0.00 -0.11 0.00 0.00 41.96 38.30 1mey s TYR 61 CO 0.66 -0.96 0.84 0.21 -1.11 0.00 0.00 175.55 175.19 1mey s LYS 62 N 0.65 4.20 0.06 -0.62 2.47 -1.26 0.16 119.74 125.39 1mey s LYS 62 Ca 0.12 0.95 -0.30 0.00 -1.56 0.00 0.00 55.97 55.18 1mey s LYS 62 Cb -0.20 -2.45 -0.05 0.00 -1.46 0.00 0.00 37.83 33.68 1mey s LYS 62 CO -0.04 0.14 0.96 0.00 0.16 0.00 0.00 175.35 176.57 1mey h PRO 64 N 6.12 0.36 0.00 0.00 0.13 -1.97 -3.16 132.00 133.50 1mey h PRO 64 Ca -0.42 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1mey h PRO 64 Cb 1.21 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1mey h PRO 64 CO 0.73 0.25 0.00 -1.91 -0.23 0.00 0.00 178.00 176.84 1mey n GLU 65 N -4.89 0.00 0.00 0.86 2.13 -1.26 -4.43 120.64 113.05 1mey n GLU 65 Ca -0.02 0.00 0.15 0.00 0.66 0.00 0.00 57.16 57.95 1mey n GLU 65 Cb 0.03 -0.68 0.79 0.00 0.27 0.00 0.00 31.44 31.85 1mey n GLU 65 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1mey n GLY 67 N 1.15 0.26 2.98 0.00 0.00 -1.19 -5.03 105.19 103.36 1mey n GLY 67 Ca 0.16 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 1mey n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mey s LYS 68 N -4.43 1.89 0.51 1.61 1.02 -1.26 -4.86 119.74 114.21 1mey s LYS 68 Ca 0.01 -0.99 -0.04 0.00 0.02 0.00 0.00 55.97 54.97 1mey s LYS 68 Cb -0.01 -2.57 -0.01 0.00 -0.52 0.00 0.00 37.83 34.72 1mey s LYS 68 CO 0.19 -0.53 0.78 0.45 -0.92 0.00 0.00 175.35 175.33 1mey s SER 69 N 1.34 5.88 0.09 2.83 0.15 -1.26 0.99 113.70 123.72 1mey s SER 69 Ca -0.05 0.63 -0.09 0.00 0.70 0.00 0.00 55.95 57.15 1mey s SER 69 Cb -0.18 -1.82 -0.00 0.00 -1.71 0.00 0.00 66.02 62.31 1mey s SER 69 CO -0.07 -0.79 0.19 -0.36 1.20 0.00 0.00 173.24 173.41 1mey s PHE 70 N -2.76 0.15 0.14 3.44 0.40 0.41 -4.85 117.98 114.92 1mey s PHE 70 Ca 0.50 -0.58 0.06 0.00 -0.60 0.00 0.00 56.93 56.31 1mey s PHE 70 Cb -0.10 -0.06 -0.13 0.00 0.51 0.00 0.00 43.02 43.23 1mey s PHE 70 CO 0.42 -0.54 1.32 0.66 0.70 0.00 0.00 175.22 177.78 1mey h SER 71 N 2.77 0.04 -4.16 1.36 4.64 -1.86 0.54 113.55 116.88 1mey h SER 71 Ca -0.34 -0.04 -0.69 0.00 -0.47 0.00 0.00 61.79 60.25 1mey h SER 71 Cb 1.20 -0.01 -0.25 0.00 -0.31 0.00 0.00 62.40 63.03 1mey h SER 71 CO 0.56 0.97 -0.84 -0.13 -0.87 0.00 0.00 176.83 176.52 1mey s ARG 72 N -2.85 1.97 0.28 4.77 0.52 -1.26 -4.55 118.95 117.82 1mey s ARG 72 Ca 0.00 -1.03 -0.02 0.00 -0.52 0.00 0.00 55.73 54.17 1mey s ARG 72 Cb 0.10 -2.09 0.38 0.00 0.52 0.00 0.00 34.95 33.86 1mey s ARG 72 CO 0.82 0.53 1.83 0.66 0.02 0.00 0.00 175.30 179.16 1mey h SER 73 N 4.74 0.81 -0.30 0.23 4.64 -1.95 -2.80 113.55 118.93 1mey h SER 73 Ca -0.47 -0.14 -0.13 0.00 -0.47 0.00 0.00 61.79 60.59 1mey h SER 73 Cb 1.15 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1mey h SER 73 CO 0.46 0.78 -0.32 -2.24 -0.87 0.00 0.00 176.83 174.63 1mey h ASP 74 N 0.85 0.79 -0.42 4.97 2.03 -1.99 -1.95 116.42 120.71 1mey h ASP 74 Ca 0.19 -0.48 0.09 0.00 -0.73 0.00 0.00 57.03 56.10 1mey h ASP 74 Cb 0.26 -0.22 -0.09 0.00 -0.83 0.00 0.00 39.33 38.45 1mey h ASP 74 CO -0.01 1.11 -0.21 0.45 -1.03 0.00 0.00 179.24 179.55 1mey h HIS 75 N 0.49 -0.53 0.07 4.15 3.86 -1.92 0.19 115.15 121.46 1mey h HIS 75 Ca 0.04 0.05 0.02 0.00 -1.16 0.00 0.00 60.37 59.32 1mey h HIS 75 Cb 0.90 0.30 -0.03 0.00 1.06 0.00 0.00 27.41 29.64 1mey h HIS 75 CO 0.07 -0.29 -0.19 1.25 0.86 0.00 0.00 177.93 179.63 1mey h LEU 76 N -0.13 -0.54 -0.37 2.43 5.85 -1.38 0.18 115.31 121.35 1mey h LEU 76 Ca 0.20 0.07 0.07 0.00 0.84 0.00 0.00 57.88 59.06 1mey h LEU 76 Cb 0.45 0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.62 1mey h LEU 76 CO -0.50 -0.27 -0.07 0.77 -0.34 0.00 0.00 178.44 178.03 1mey h SER 77 N -0.35 -0.31 -0.36 1.25 4.64 -0.77 0.17 113.55 117.83 1mey h SER 77 Ca 0.04 0.11 0.02 0.00 -0.47 0.00 0.00 61.79 61.48 1mey h SER 77 Cb 0.38 0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.66 1mey h SER 77 CO -0.13 -0.11 0.19 -0.09 -0.87 0.00 0.00 176.83 175.83 1mey h ARG 78 N 0.02 0.39 0.06 4.77 2.43 -0.71 -2.52 114.38 118.82 1mey h ARG 78 Ca 0.18 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.34 1mey h ARG 78 Cb 0.27 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1mey h ARG 78 CO -0.37 0.26 -0.14 1.25 -1.51 0.00 0.00 179.97 179.46 1mey h HIS 79 N 0.40 -0.36 0.00 2.20 2.76 0.43 -2.54 115.15 118.03 1mey h HIS 79 Ca 0.14 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 1mey h HIS 79 Cb 0.03 0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.14 1mey h HIS 79 CO -0.09 -0.21 0.00 1.96 -1.30 0.00 0.00 177.93 178.29 1mey h GLN 80 N -0.26 0.00 0.00 5.26 4.20 -0.53 0.14 115.11 123.91 1mey h GLN 80 Ca 0.03 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 1mey h GLN 80 Cb 0.29 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 1mey h GLN 80 CO -0.10 0.00 -0.01 -0.09 -0.67 0.00 0.00 178.83 177.96 1mey h ARG 81 N 0.00 0.00 0.50 1.46 2.43 -1.01 0.98 114.38 118.73 1mey h ARG 81 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1mey h ARG 81 Cb 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1mey h ARG 81 CO 0.00 0.01 -0.24 1.15 -1.51 0.00 0.00 179.97 179.38 1mey h THR 82 N 0.00 0.00 -0.54 0.20 2.02 -0.81 -3.22 112.91 110.56 1mey h THR 82 Ca -0.00 -0.09 0.05 0.00 0.77 0.00 0.00 66.41 67.14 1mey h THR 82 Cb 0.03 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.40 1mey h THR 82 CO 0.00 0.00 0.28 0.45 0.37 0.00 0.00 175.52 176.62 1mey h HIS 83 N -0.76 0.51 0.00 3.16 3.86 -1.52 -3.53 115.15 116.88 1mey h HIS 83 Ca -0.07 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1mey h HIS 83 Cb 0.51 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.83 1mey h HIS 83 CO 0.08 0.25 0.00 1.04 0.86 0.00 0.00 177.93 180.16