#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a5v s ASN 5 N 0.00 0.00 0.26 1.09 2.20 -1.26 -4.98 114.94 112.25 2a5v s ASN 5 Ca 0.00 -0.34 -0.02 0.00 -0.94 0.00 0.00 52.86 51.55 2a5v s ASN 5 Cb 0.00 0.31 0.51 0.00 -2.00 0.00 0.00 41.25 40.06 2a5v s ASN 5 CO 0.00 -0.58 1.74 -0.65 -2.94 0.00 0.00 177.10 174.67 2a5v h PRO 6 N 3.37 0.49 0.06 3.55 0.11 -1.79 -0.56 132.00 137.24 2a5v h PRO 6 Ca -0.32 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.76 2a5v h PRO 6 Cb 1.19 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2a5v h PRO 6 CO 0.48 0.32 -0.03 0.28 -0.21 0.00 0.00 178.00 178.84 2a5v h VAL 7 N 0.51 0.95 -0.20 3.15 2.07 -1.85 -1.77 116.25 119.11 2a5v h VAL 7 Ca 0.44 -0.03 -0.10 0.00 0.82 0.00 0.00 66.70 67.83 2a5v h VAL 7 Cb 0.67 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2a5v h VAL 7 CO -0.40 0.01 -0.32 0.00 0.02 0.00 0.00 177.57 176.88 2a5v h ALA 8 N 0.84 1.09 0.08 1.67 0.00 -1.85 -1.41 119.26 119.68 2a5v h ALA 8 Ca -0.01 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2a5v h ALA 8 Cb 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2a5v h ALA 8 CO 0.01 0.57 -0.04 0.00 0.00 0.00 0.00 179.25 179.79 2a5v h ALA 9 N 1.32 -0.11 -0.17 0.00 0.00 -0.96 -1.95 119.26 117.38 2a5v h ALA 9 Ca 0.04 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 2a5v h ALA 9 Cb 0.74 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2a5v h ALA 9 CO 0.06 -0.56 -0.46 2.35 0.00 0.00 0.00 179.25 180.64 2a5v h TRP 10 N -0.12 0.51 -0.14 0.00 2.91 -1.24 -2.77 115.95 115.10 2a5v h TRP 10 Ca -0.01 -0.16 0.02 0.00 1.13 0.00 0.00 58.89 59.88 2a5v h TRP 10 Cb 0.09 -0.11 -0.02 0.00 -0.51 0.00 0.00 29.16 28.61 2a5v h TRP 10 CO -0.07 0.81 -0.01 -0.22 -1.03 0.00 0.00 178.44 177.91 2a5v h LYS 11 N 0.34 0.03 -0.97 2.65 3.64 -1.16 -0.22 116.57 120.88 2a5v h LYS 11 Ca 0.02 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.47 2a5v h LYS 11 Cb 0.94 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.69 2a5v h LYS 11 CO 0.08 0.02 0.62 0.00 -2.27 0.00 0.00 179.45 177.90 2a5v h ALA 12 N 1.13 1.34 -0.07 5.00 0.00 -1.22 -1.02 119.26 124.41 2a5v h ALA 12 Ca 0.07 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2a5v h ALA 12 Cb 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2a5v h ALA 12 CO -0.12 0.40 -0.21 -0.07 0.00 0.00 0.00 179.25 179.25 2a5v h LEU 13 N 1.12 0.31 -0.45 0.00 3.38 -1.18 -1.62 115.31 116.88 2a5v h LEU 13 Ca 0.42 -0.60 0.02 0.00 0.09 0.00 0.00 57.88 57.81 2a5v h LEU 13 Cb 0.17 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2a5v h LEU 13 CO -0.18 0.86 0.25 0.50 0.09 0.00 0.00 178.44 179.96 2a5v h LYS 14 N -0.22 0.49 -0.72 1.13 3.64 -0.82 -0.49 116.57 119.58 2a5v h LYS 14 Ca -0.01 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 2a5v h LYS 14 Cb 0.82 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.50 2a5v h LYS 14 CO 0.04 0.33 0.30 0.93 -2.27 0.00 0.00 179.45 178.78 2a5v h GLU 15 N 0.51 1.06 -0.21 1.90 5.08 -1.21 -1.31 114.58 120.40 2a5v h GLU 15 Ca 0.18 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2a5v h GLU 15 Cb 0.03 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 2a5v h GLU 15 CO -0.09 0.85 0.11 0.78 -1.00 0.00 0.00 179.01 179.66 2a5v h GLY 16 N 1.10 0.28 2.00 -3.84 0.00 -0.83 -1.45 103.07 100.33 2a5v h GLY 16 Ca 0.24 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.47 2a5v h GLY 16 CO -0.02 0.07 -0.14 -0.57 0.00 0.00 0.00 176.54 175.88 2a5v h ASN 17 N 0.23 0.00 -0.23 0.19 -0.73 -0.80 -1.97 115.58 112.28 2a5v h ASN 17 Ca 0.09 0.00 -0.18 0.00 1.87 0.00 0.00 56.30 58.08 2a5v h ASN 17 Cb 0.02 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.61 2a5v h ASN 17 CO -0.06 0.14 -0.54 -0.33 -0.37 0.00 0.00 177.43 176.27 2a5v h GLU 18 N 0.00 0.82 -0.63 6.67 5.08 -0.63 -0.05 114.58 125.85 2a5v h GLU 18 Ca -0.00 -0.52 0.03 0.00 -1.00 0.00 0.00 59.36 57.87 2a5v h GLU 18 Cb 0.28 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 2a5v h GLU 18 CO 0.02 1.15 0.38 0.00 -1.00 0.00 0.00 179.01 179.55 2a5v h ARG 19 N 0.63 0.72 -0.28 2.33 3.08 -0.87 -1.16 114.38 118.83 2a5v h ARG 19 Ca 0.02 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2a5v h ARG 19 Cb 1.14 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 2a5v h ARG 19 CO 0.12 0.48 0.13 0.35 -1.07 0.00 0.00 179.97 179.98 2a5v h PHE 20 N 0.74 0.40 -0.52 3.04 3.57 -1.28 0.95 116.94 123.84 2a5v h PHE 20 Ca 0.26 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.70 2a5v h PHE 20 Cb 0.04 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 2a5v h PHE 20 CO -0.06 0.37 0.17 0.28 -2.23 0.00 0.00 178.31 176.85 2a5v h VAL 21 N 0.32 1.20 0.00 1.41 2.07 -0.81 -1.42 116.25 119.02 2a5v h VAL 21 Ca 0.10 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.94 2a5v h VAL 21 Cb 0.12 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2a5v h VAL 21 CO -0.01 0.26 0.00 0.00 0.02 0.00 0.00 177.57 177.84 2a5v n ALA 22 N -2.46 2.31 -2.17 1.67 0.00 -0.46 -4.92 120.51 114.48 2a5v n ALA 22 Ca 0.04 -0.09 -0.07 0.00 0.00 0.00 0.00 53.44 53.32 2a5v n ALA 22 Cb 0.18 -1.46 -0.00 0.00 0.00 0.00 0.00 19.45 18.17 2a5v n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a5v n GLY 23 N 1.43 0.10 2.62 0.00 0.00 -0.53 -4.98 105.19 103.82 2a5v n GLY 23 Ca 0.07 -0.58 -0.22 0.00 0.00 0.00 0.00 46.02 45.28 2a5v n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a5v n ARG 24 N -1.69 2.51 -2.28 1.61 5.12 0.28 -5.03 116.66 117.18 2a5v n ARG 24 Ca -0.08 -4.22 -0.39 0.00 -1.93 0.00 0.00 57.85 51.23 2a5v n ARG 24 Cb 0.56 -1.98 -0.02 0.00 -1.16 0.00 0.00 32.46 29.86 2a5v n ARG 24 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2a5v s PRO 25 N -3.23 4.13 0.29 5.56 0.04 -1.24 -4.68 135.00 135.87 2a5v s PRO 25 Ca 0.44 1.89 0.16 0.00 0.04 0.00 0.00 61.00 63.53 2a5v s PRO 25 Cb 0.35 -2.76 0.09 0.00 0.04 0.00 0.00 34.50 32.22 2a5v s PRO 25 CO -0.11 -0.27 1.42 1.96 0.04 0.00 0.00 177.00 180.04 2a5v h GLN 26 N 2.81 0.00 -6.79 4.56 4.20 -1.92 -3.49 115.11 114.48 2a5v h GLN 26 Ca -0.49 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 57.68 2a5v h GLN 26 Cb 1.23 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.01 2a5v h GLN 26 CO 0.63 0.41 -1.02 0.72 -0.67 0.00 0.00 178.83 178.91 2a5v n HIS 27 N -3.18 -1.68 -1.96 2.96 8.25 -1.26 -4.94 115.22 113.41 2a5v n HIS 27 Ca 0.02 0.37 -0.28 0.00 -0.26 0.00 0.00 57.72 57.56 2a5v n HIS 27 Cb 0.71 -2.85 0.09 0.00 1.12 0.00 0.00 29.99 29.05 2a5v n HIS 27 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2a5v s PRO 28 N -6.41 1.99 -1.56 -0.41 0.04 -1.26 -4.31 135.00 123.07 2a5v s PRO 28 Ca 0.32 0.02 -0.15 0.00 0.04 0.00 0.00 61.00 61.24 2a5v s PRO 28 Cb -0.17 -1.99 0.10 0.00 0.04 0.00 0.00 34.50 32.48 2a5v s PRO 28 CO 0.94 -1.54 0.94 0.43 0.04 0.00 0.00 177.00 177.81 2a5v n SER 29 N -3.24 -4.46 -0.08 6.66 7.64 -1.26 -3.22 113.62 115.65 2a5v n SER 29 Ca 0.08 -0.83 0.00 0.00 1.01 0.00 0.00 58.87 59.14 2a5v n SER 29 Cb 0.61 -3.67 0.01 0.00 -1.01 0.00 0.00 64.21 60.15 2a5v n SER 29 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2a5v n GLN 30 N -4.63 0.59 -0.86 1.43 10.64 -1.26 0.13 117.38 123.42 2a5v n GLN 30 Ca 0.04 -0.85 -0.31 0.00 -1.83 0.00 0.00 57.00 54.06 2a5v n GLN 30 Cb 0.52 -0.63 0.14 0.00 -0.86 0.00 0.00 30.24 29.41 2a5v n GLN 30 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 2a5v s SER 31 N -0.46 3.38 0.23 2.61 1.04 -1.26 -4.80 113.70 114.45 2a5v s SER 31 Ca 0.01 2.09 -0.06 0.00 0.48 0.00 0.00 55.95 58.47 2a5v s SER 31 Cb 0.01 -2.55 0.33 0.00 0.10 0.00 0.00 66.02 63.91 2a5v s SER 31 CO 0.00 -2.79 1.81 0.58 0.98 0.00 0.00 173.24 173.82 2a5v h VAL 32 N -1.65 0.94 -0.22 5.02 2.07 -1.99 -1.17 116.25 119.26 2a5v h VAL 32 Ca -0.43 -0.26 -0.16 0.00 0.82 0.00 0.00 66.70 66.67 2a5v h VAL 32 Cb 1.26 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2a5v h VAL 32 CO 0.44 0.14 -0.48 0.44 0.02 0.00 0.00 177.57 178.13 2a5v h ASP 33 N 0.77 0.81 0.10 0.57 3.32 -1.99 -1.44 116.42 118.55 2a5v h ASP 33 Ca 0.36 -0.55 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 2a5v h ASP 33 Cb 0.28 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.60 2a5v h ASP 33 CO -0.22 1.21 -0.05 -0.74 -1.72 0.00 0.00 179.24 177.73 2a5v h HIS 34 N 0.43 -0.12 -0.61 4.55 2.76 -1.90 -2.61 115.15 117.65 2a5v h HIS 34 Ca 0.00 -0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.29 2a5v h HIS 34 Cb 1.09 0.04 -0.09 0.00 1.55 0.00 0.00 27.41 30.00 2a5v h HIS 34 CO 0.09 0.02 0.13 -0.09 -1.30 0.00 0.00 177.93 176.78 2a5v h ARG 35 N -0.24 0.25 -0.96 5.26 2.43 -1.24 -0.75 114.38 119.14 2a5v h ARG 35 Ca -0.01 -0.02 0.16 0.00 -0.81 0.00 0.00 59.98 59.30 2a5v h ARG 35 Cb 0.20 -0.06 -0.10 0.00 -0.42 0.00 0.00 29.97 29.59 2a5v h ARG 35 CO 0.02 0.17 0.57 0.00 -1.51 0.00 0.00 179.97 179.22 2a5v h ALA 36 N 1.49 1.52 0.00 2.80 0.00 -1.06 -1.04 119.26 122.97 2a5v h ALA 36 Ca 0.32 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2a5v h ALA 36 Cb 0.48 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2a5v h ALA 36 CO -0.41 0.00 0.00 0.78 0.00 0.00 0.00 179.25 179.62 2a5v h GLY 37 N 0.78 0.00 2.00 0.00 0.00 -0.77 -3.17 103.07 101.91 2a5v h GLY 37 Ca 0.53 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.76 2a5v h GLY 37 CO -0.35 0.00 -0.48 1.41 0.00 0.00 0.00 176.54 177.12 2a5v h LEU 38 N 0.00 0.00 -1.98 3.11 3.38 -0.75 -3.16 115.31 115.90 2a5v h LEU 38 Ca 0.00 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.13 2a5v h LEU 38 Cb 0.56 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 2a5v h LEU 38 CO 0.00 0.48 0.48 0.00 0.09 0.00 0.00 178.44 179.49 2a5v h ALA 39 N 1.52 2.41 0.83 1.53 0.00 -1.55 -1.73 119.26 122.27 2a5v h ALA 39 Ca -0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2a5v h ALA 39 Cb 1.14 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.98 2a5v h ALA 39 CO 0.06 -0.78 -0.42 0.00 0.00 0.00 0.00 179.25 178.12 2a5v h ALA 40 N 1.57 -1.30 -2.73 0.00 0.00 -1.77 -3.49 119.26 111.54 2a5v h ALA 40 Ca 0.27 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 55.02 2a5v h ALA 40 Cb 1.23 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 2a5v h ALA 40 CO -0.00 -1.22 0.44 0.20 0.00 0.00 0.00 179.25 178.66 2a5v s GLY 41 N -1.84 0.19 0.04 0.00 0.00 -0.65 -5.17 107.32 99.89 2a5v s GLY 41 Ca -0.17 -0.47 0.09 0.00 0.00 0.00 0.00 44.72 44.16 2a5v s GLY 41 CO 0.51 1.05 -0.24 -0.86 0.00 0.00 0.00 173.10 173.56 2a5v s GLN 42 N -2.36 1.87 -0.37 2.90 -2.07 -1.26 -4.65 119.66 113.71 2a5v s GLN 42 Ca 0.18 -1.08 0.12 0.00 -1.82 0.00 0.00 55.36 52.77 2a5v s GLN 42 Cb -0.04 -2.03 0.35 0.00 -1.09 0.00 0.00 33.01 30.20 2a5v s GLN 42 CO 0.08 0.52 0.74 1.17 -1.32 0.00 0.00 175.29 176.48 2a5v n LYS 43 N 1.72 0.99 -0.85 9.60 4.81 -1.26 -5.04 118.16 128.13 2a5v n LYS 43 Ca -0.17 -3.38 -0.32 0.00 -0.87 0.00 0.00 58.31 53.57 2a5v n LYS 43 Cb 0.52 -1.69 0.15 0.00 0.02 0.00 0.00 35.03 34.03 2a5v n LYS 43 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2a5v s PRO 44 N -2.47 1.28 0.00 1.64 0.04 -1.22 -4.91 135.00 129.37 2a5v s PRO 44 Ca 0.39 1.56 0.24 0.00 0.04 0.00 0.00 61.00 63.23 2a5v s PRO 44 Cb 0.35 -1.76 0.21 0.00 0.04 0.00 0.00 34.50 33.35 2a5v s PRO 44 CO -0.08 -2.44 1.22 0.25 0.04 0.00 0.00 177.00 175.99 2a5v n THR 45 N -3.94 0.00 -3.54 1.26 -2.24 0.09 -4.63 114.28 101.27 2a5v n THR 45 Ca 0.12 -0.12 -0.16 0.00 -2.27 0.00 0.00 64.05 61.62 2a5v n THR 45 Cb 0.52 0.81 -0.06 0.00 -2.10 0.00 0.00 70.33 69.50 2a5v n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a5v s ALA 46 N -2.70 -1.80 -0.19 6.98 0.00 -1.23 -3.93 121.76 118.89 2a5v s ALA 46 Ca 0.16 1.45 -0.08 0.00 0.00 0.00 0.00 51.96 53.49 2a5v s ALA 46 Cb 0.18 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 2a5v s ALA 46 CO 0.65 -0.36 0.08 0.54 0.00 0.00 0.00 175.76 176.68 2a5v s VAL 47 N -0.97 4.96 -0.33 0.00 0.11 -0.14 -1.17 120.40 122.86 2a5v s VAL 47 Ca -0.08 0.03 -0.12 0.00 -2.93 0.00 0.00 61.98 58.87 2a5v s VAL 47 Cb -0.01 -3.25 -0.02 0.00 -1.53 0.00 0.00 36.38 31.57 2a5v s VAL 47 CO 0.08 0.45 0.23 -0.63 -3.33 0.00 0.00 175.10 171.89 2a5v s ILE 48 N 0.39 5.26 -0.54 7.04 1.09 0.64 -0.15 121.20 134.93 2a5v s ILE 48 Ca 0.04 -0.14 -0.17 0.00 -1.10 0.00 0.00 60.65 59.29 2a5v s ILE 48 Cb -0.12 -3.66 0.11 0.00 -1.06 0.00 0.00 42.46 37.73 2a5v s ILE 48 CO -0.00 0.05 0.55 0.12 -0.10 0.00 0.00 174.94 175.56 2a5v s PHE 49 N 1.73 3.17 0.47 3.97 5.36 0.18 -0.50 117.98 132.35 2a5v s PHE 49 Ca 0.06 -1.12 0.02 0.00 -0.96 0.00 0.00 56.93 54.94 2a5v s PHE 49 Cb -0.17 -3.77 -0.02 0.00 -0.34 0.00 0.00 43.02 38.72 2a5v s PHE 49 CO 0.10 -1.07 0.04 0.20 -1.46 0.00 0.00 175.22 173.04 2a5v s GLY 50 N 3.45 2.86 0.51 13.12 0.00 0.04 -0.64 107.32 126.65 2a5v s GLY 50 Ca 0.06 -0.77 -0.18 0.00 0.00 0.00 0.00 44.72 43.84 2a5v s GLY 50 CO 0.05 -2.08 1.00 0.00 0.00 0.00 0.00 173.10 172.07 2a5v h ALA 52 N 1.13 1.00 -0.71 0.00 0.00 -1.66 -3.44 119.26 115.59 2a5v h ALA 52 Ca -0.48 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 53.84 2a5v h ALA 52 Cb 1.20 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.01 2a5v h ALA 52 CO 0.60 0.00 0.28 -3.47 0.00 0.00 0.00 179.25 176.66 2a5v n ASP 53 N -2.91 0.45 0.29 0.00 -0.08 -1.26 -4.81 116.55 108.23 2a5v n ASP 53 Ca 0.01 0.83 0.20 0.00 -1.51 0.00 0.00 54.79 54.32 2a5v n ASP 53 Cb 0.32 -0.63 1.06 0.00 2.34 0.00 0.00 41.12 44.21 2a5v n ASP 53 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2a5v h SER 54 N 2.86 0.00 0.32 1.67 4.64 -2.04 -2.31 113.55 118.70 2a5v h SER 54 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2a5v h SER 54 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2a5v h SER 54 CO 0.58 0.00 -0.43 0.54 -0.87 0.00 0.00 176.83 176.65 2a5v n ARG 55 N -2.86 0.43 -2.71 4.77 1.74 -1.26 -4.36 116.66 112.40 2a5v n ARG 55 Ca -0.03 -0.27 -0.31 0.00 -0.77 0.00 0.00 57.85 56.48 2a5v n ARG 55 Cb 0.06 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 29.99 2a5v n ARG 55 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2a5v n VAL 56 N -1.05 3.57 -2.35 1.55 0.31 -0.87 -5.01 118.33 114.47 2a5v n VAL 56 Ca 0.08 -5.44 -0.40 0.00 -0.01 0.00 0.00 64.34 58.58 2a5v n VAL 56 Cb 0.35 -1.39 -0.03 0.00 -0.91 0.00 0.00 33.84 31.86 2a5v n VAL 56 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2a5v s ALA 57 N -3.70 2.52 0.27 3.52 0.00 -1.26 -4.86 121.76 118.25 2a5v s ALA 57 Ca 0.47 -1.08 -0.00 0.00 0.00 0.00 0.00 51.96 51.35 2a5v s ALA 57 Cb 0.30 -4.28 0.51 0.00 0.00 0.00 0.00 23.12 19.65 2a5v s ALA 57 CO -0.17 -3.52 1.84 0.00 0.00 0.00 0.00 175.76 173.90 2a5v h ALA 58 N 11.97 1.45 -0.61 0.00 0.00 -1.95 -1.13 119.26 128.99 2a5v h ALA 58 Ca -0.27 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 2a5v h ALA 58 Cb 1.09 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2a5v h ALA 58 CO 1.25 0.25 0.06 0.93 0.00 0.00 0.00 179.25 181.74 2a5v h GLU 59 N 1.00 1.03 -0.01 0.00 3.07 -1.91 -2.74 114.58 115.01 2a5v h GLU 59 Ca 0.47 -0.29 -0.01 0.00 -0.50 0.00 0.00 59.36 59.04 2a5v h GLU 59 Cb 0.42 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.22 2a5v h GLU 59 CO -0.25 0.97 -0.01 0.82 -1.40 0.00 0.00 179.01 179.14 2a5v h ILE 60 N 0.96 1.38 0.00 3.13 2.04 -1.51 0.16 117.51 123.67 2a5v h ILE 60 Ca 0.18 -1.15 -0.03 0.00 1.00 0.00 0.00 64.86 64.86 2a5v h ILE 60 Cb 0.47 2.13 -0.00 0.00 -0.74 0.00 0.00 36.82 38.68 2a5v h ILE 60 CO 0.02 0.30 -0.15 0.16 0.00 0.00 0.00 178.15 178.48 2a5v h ILE 61 N -0.44 0.49 -0.29 -0.67 3.07 -1.32 -1.49 117.51 116.87 2a5v h ILE 61 Ca 0.00 -0.78 0.00 0.00 1.55 0.00 0.00 64.86 65.63 2a5v h ILE 61 Cb 0.50 1.54 0.00 0.00 -0.27 0.00 0.00 36.82 38.59 2a5v h ILE 61 CO 0.00 0.15 0.00 0.49 -1.05 0.00 0.00 178.15 177.74 2a5v n PHE 62 N -3.46 0.36 -3.92 0.16 3.72 -1.04 -3.97 117.46 109.33 2a5v n PHE 62 Ca -0.01 -0.19 -0.30 0.00 -0.05 0.00 0.00 57.45 56.90 2a5v n PHE 62 Cb 0.32 -0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.86 2a5v n PHE 62 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2a5v n ASP 63 N 1.44 -2.17 -4.90 4.37 2.03 -0.56 -3.50 116.55 113.25 2a5v n ASP 63 Ca 0.18 -1.07 -0.22 0.00 0.52 0.00 0.00 54.79 54.20 2a5v n ASP 63 Cb 0.60 -2.86 -0.02 0.00 -0.72 0.00 0.00 41.12 38.12 2a5v n ASP 63 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2a5v s GLN 64 N -6.56 2.46 0.00 -0.67 -1.52 -0.02 -4.52 119.66 108.83 2a5v s GLN 64 Ca 0.20 -1.64 0.00 0.00 -1.95 0.00 0.00 55.36 51.97 2a5v s GLN 64 Cb -0.08 -2.35 0.00 0.00 -0.22 0.00 0.00 33.01 30.35 2a5v s GLN 64 CO 0.90 -0.35 0.00 0.41 -0.25 0.00 0.00 175.29 176.00 2a5v n GLY 65 N -1.67 5.21 3.71 3.09 0.00 -1.20 -4.57 105.19 109.76 2a5v n GLY 65 Ca 0.04 -1.57 -0.40 0.00 0.00 0.00 0.00 46.02 44.08 2a5v n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a5v s LEU 66 N 0.00 4.31 0.00 0.99 1.43 0.12 -3.69 118.68 121.84 2a5v s LEU 66 Ca 0.00 1.29 0.00 0.00 -1.03 0.00 0.00 54.13 54.39 2a5v s LEU 66 Cb 0.00 -3.21 0.00 0.00 0.03 0.00 0.00 46.19 43.01 2a5v s LEU 66 CO 0.00 -0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.01 2a5v n GLY 67 N 3.11 0.61 0.12 -3.19 0.00 -1.26 -4.86 105.19 99.72 2a5v n GLY 67 Ca 0.01 -0.15 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 2a5v n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2a5v n ASP 68 N 0.28 1.55 -3.76 1.61 8.00 -1.24 -3.42 116.55 119.56 2a5v n ASP 68 Ca 0.00 0.11 -0.14 0.00 0.71 0.00 0.00 54.79 55.47 2a5v n ASP 68 Cb 0.00 -0.31 -0.15 0.00 -0.02 0.00 0.00 41.12 40.64 2a5v n ASP 68 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2a5v s MET 69 N -2.54 0.02 0.07 -1.24 0.23 -1.26 -0.73 119.30 113.84 2a5v s MET 69 Ca -0.21 0.26 -0.30 0.00 -1.03 0.00 0.00 55.69 54.41 2a5v s MET 69 Cb 0.07 -0.20 -0.05 0.00 -1.53 0.00 0.00 34.83 33.12 2a5v s MET 69 CO 0.74 -0.16 1.10 0.12 -2.03 0.00 0.00 175.02 174.79 2a5v s PHE 70 N 1.06 3.56 -0.16 3.16 5.36 -0.32 -4.93 117.98 125.72 2a5v s PHE 70 Ca -0.09 1.51 0.00 0.00 -0.96 0.00 0.00 56.93 57.40 2a5v s PHE 70 Cb -0.12 -3.28 0.03 0.00 -0.34 0.00 0.00 43.02 39.31 2a5v s PHE 70 CO -0.04 -0.66 -0.13 0.08 -1.46 0.00 0.00 175.22 173.00 2a5v s VAL 71 N 0.74 1.55 -0.13 3.12 1.01 -1.26 -0.26 120.40 125.16 2a5v s VAL 71 Ca 0.54 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 2a5v s VAL 71 Cb -0.26 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 2a5v s VAL 71 CO 0.30 0.40 -0.10 -0.69 0.00 0.00 0.00 175.10 175.01 2a5v s VAL 72 N 1.49 3.33 -0.08 2.92 1.01 0.35 -4.98 120.40 124.43 2a5v s VAL 72 Ca 0.04 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 2a5v s VAL 72 Cb -0.13 -2.42 0.04 0.00 0.00 0.00 0.00 36.38 33.87 2a5v s VAL 72 CO -0.10 0.52 0.15 -0.13 0.00 0.00 0.00 175.10 175.54 2a5v s ARG 73 N 0.29 0.04 0.11 2.72 0.52 -1.26 -0.78 118.95 120.59 2a5v s ARG 73 Ca -0.08 0.51 0.04 0.00 -0.52 0.00 0.00 55.73 55.68 2a5v s ARG 73 Cb -0.15 -0.26 -0.04 0.00 0.52 0.00 0.00 34.95 35.02 2a5v s ARG 73 CO 0.05 -0.27 -0.09 0.95 0.02 0.00 0.00 175.30 175.95 2a5v s THR 74 N 2.02 0.97 -0.17 0.02 -4.23 -1.12 -4.75 115.64 108.38 2a5v s THR 74 Ca 0.00 -1.83 -0.36 0.00 -1.18 0.00 0.00 61.69 58.32 2a5v s THR 74 Cb -0.12 -1.58 -0.13 0.00 1.34 0.00 0.00 72.50 72.02 2a5v s THR 74 CO -0.06 -0.68 1.86 0.00 -0.54 0.00 0.00 174.62 175.21 2a5v n ALA 75 N 0.20 0.55 -2.08 3.99 0.00 -1.26 -0.94 120.51 120.98 2a5v n ALA 75 Ca -0.13 0.29 -0.17 0.00 0.00 0.00 0.00 53.44 53.42 2a5v n ALA 75 Cb 0.59 -2.42 -0.03 0.00 0.00 0.00 0.00 19.45 17.59 2a5v n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a5v n GLY 76 N 4.47 0.29 4.31 0.00 0.00 -1.26 -3.36 105.19 109.63 2a5v n GLY 76 Ca 0.25 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 2a5v n GLY 76 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2a5v n HIS 77 N -3.54 -1.29 -3.13 1.61 1.44 -0.12 -4.94 115.22 105.25 2a5v n HIS 77 Ca -0.20 0.63 -0.33 0.00 -2.01 0.00 0.00 57.72 55.81 2a5v n HIS 77 Cb 0.63 -2.81 -0.06 0.00 0.12 0.00 0.00 29.99 27.87 2a5v n HIS 77 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 2a5v s VAL 78 N -4.27 4.66 -0.13 0.61 -7.23 -1.21 -4.98 120.40 107.85 2a5v s VAL 78 Ca 0.06 1.00 -0.05 0.00 -1.81 0.00 0.00 61.98 61.18 2a5v s VAL 78 Cb -0.04 -3.65 -0.04 0.00 0.56 0.00 0.00 36.38 33.22 2a5v s VAL 78 CO 0.99 -0.13 0.05 -0.63 -0.31 0.00 0.00 175.10 175.08 2a5v s ILE 79 N -1.91 4.70 0.12 -0.62 1.01 -1.26 -4.78 121.20 118.45 2a5v s ILE 79 Ca 0.52 -0.09 0.02 0.00 0.00 0.00 0.00 60.65 61.11 2a5v s ILE 79 Cb -0.11 -3.05 -0.01 0.00 0.01 0.00 0.00 42.46 39.30 2a5v s ILE 79 CO 0.18 0.55 0.06 -0.67 0.00 0.00 0.00 174.94 175.06 2a5v n ASP 80 N 2.72 0.64 0.18 3.58 -0.08 -1.26 -5.02 116.55 117.30 2a5v n ASP 80 Ca -0.18 -1.70 0.03 0.00 -1.51 0.00 0.00 54.79 51.43 2a5v n ASP 80 Cb 0.53 0.39 0.33 0.00 2.34 0.00 0.00 41.12 44.71 2a5v n ASP 80 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2a5v h SER 81 N 0.56 0.00 -0.27 1.67 4.64 -1.99 -1.63 113.55 116.54 2a5v h SER 81 Ca -0.09 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.06 2a5v h SER 81 Cb 0.39 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2a5v h SER 81 CO 0.14 0.43 -0.46 0.00 -0.87 0.00 0.00 176.83 176.07 2a5v h ALA 82 N 1.57 0.59 0.38 5.18 0.00 -1.98 0.59 119.26 125.59 2a5v h ALA 82 Ca -0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 2a5v h ALA 82 Cb 0.82 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2a5v h ALA 82 CO 0.06 0.68 -0.18 0.28 0.00 0.00 0.00 179.25 180.08 2a5v h VAL 83 N 0.67 0.63 -0.59 0.00 2.07 -1.89 -1.06 116.25 116.07 2a5v h VAL 83 Ca 0.04 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.58 2a5v h VAL 83 Cb 1.04 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 2a5v h VAL 83 CO 0.10 0.00 0.36 0.25 0.02 0.00 0.00 177.57 178.30 2a5v h LEU 84 N -0.51 0.58 -1.12 2.57 5.85 -1.21 -1.70 115.31 119.77 2a5v h LEU 84 Ca -0.05 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 2a5v h LEU 84 Cb 0.39 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 2a5v h LEU 84 CO 0.09 0.40 0.24 1.23 -0.34 0.00 0.00 178.44 180.06 2a5v h GLY 85 N 0.70 0.92 0.89 3.75 0.00 -0.80 -1.39 103.07 107.15 2a5v h GLY 85 Ca 0.24 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 2a5v h GLY 85 CO -0.10 0.44 0.03 1.76 0.00 0.00 0.00 176.54 178.67 2a5v h SER 86 N 0.85 0.50 -0.74 0.19 0.02 -0.53 -0.96 113.55 112.88 2a5v h SER 86 Ca 0.20 -0.28 -0.05 0.00 -0.84 0.00 0.00 61.79 60.82 2a5v h SER 86 Cb 0.16 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 2a5v h SER 86 CO -0.02 0.65 0.27 0.40 -1.14 0.00 0.00 176.83 177.00 2a5v h ILE 87 N 0.32 1.26 -0.04 3.27 2.04 -0.97 -2.43 117.51 120.96 2a5v h ILE 87 Ca 0.09 -0.83 -0.09 0.00 1.00 0.00 0.00 64.86 65.03 2a5v h ILE 87 Cb 0.38 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2a5v h ILE 87 CO 0.01 0.33 -0.38 -0.33 0.00 0.00 0.00 178.15 177.78 2a5v h GLU 88 N 1.07 0.08 0.01 2.37 5.08 -1.18 -1.41 114.58 120.60 2a5v h GLU 88 Ca 0.24 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2a5v h GLU 88 Cb 0.24 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2a5v h GLU 88 CO -0.02 0.45 -0.00 -0.92 -1.00 0.00 0.00 179.01 177.52 2a5v h TYR 89 N 0.07 -0.01 -0.54 4.33 3.20 -0.69 0.18 116.97 123.51 2a5v h TYR 89 Ca 0.01 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2a5v h TYR 89 Cb 0.70 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.95 2a5v h TYR 89 CO 0.00 -0.00 0.29 0.00 -1.64 0.00 0.00 178.16 176.82 2a5v h ALA 90 N 0.97 0.70 -0.63 1.82 0.00 -1.28 0.11 119.26 120.95 2a5v h ALA 90 Ca -0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2a5v h ALA 90 Cb 0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2a5v h ALA 90 CO 0.00 0.22 0.25 0.28 0.00 0.00 0.00 179.25 180.00 2a5v h VAL 91 N 0.73 1.24 0.00 0.00 2.07 -1.15 0.11 116.25 119.25 2a5v h VAL 91 Ca 0.19 -0.75 -0.14 0.00 0.82 0.00 0.00 66.70 66.82 2a5v h VAL 91 Cb 0.06 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 2a5v h VAL 91 CO -0.03 0.29 -1.98 0.35 0.02 0.00 0.00 177.57 176.23 2a5v n THR 92 N -4.42 0.53 -0.10 2.57 -2.24 0.63 -3.39 114.28 107.87 2a5v n THR 92 Ca 0.04 -0.55 -0.12 0.00 -2.27 0.00 0.00 64.05 61.15 2a5v n THR 92 Cb 0.17 -0.21 -0.12 0.00 -2.10 0.00 0.00 70.33 68.08 2a5v n THR 92 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2a5v n VAL 93 N -2.36 1.19 0.76 2.28 0.31 0.37 -4.55 118.33 116.34 2a5v n VAL 93 Ca -0.14 -0.59 0.08 0.00 -0.01 0.00 0.00 64.34 63.67 2a5v n VAL 93 Cb 0.74 -0.91 -0.09 0.00 -0.91 0.00 0.00 33.84 32.67 2a5v n VAL 93 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2a5v n LEU 94 N -2.88 0.76 -3.15 7.52 4.77 -1.07 -5.00 117.00 117.95 2a5v n LEU 94 Ca -0.33 -0.50 -0.22 0.00 -0.03 0.00 0.00 56.01 54.94 2a5v n LEU 94 Cb 0.97 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 42.07 2a5v n LEU 94 CO 0.28 0.19 -0.04 0.59 -1.33 0.00 0.00 177.39 177.09 2a5v n ASN 95 N -1.38 -4.52 -4.66 -1.43 5.03 0.29 -4.84 115.26 103.75 2a5v n ASN 95 Ca 0.03 -0.30 -0.45 0.00 0.87 0.00 0.00 54.58 54.73 2a5v n ASN 95 Cb 0.25 -3.72 -0.03 0.00 -1.02 0.00 0.00 39.78 35.27 2a5v n ASN 95 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 2a5v n VAL 96 N -4.07 1.00 1.53 2.41 0.24 -0.69 -4.77 118.33 113.98 2a5v n VAL 96 Ca -0.06 -0.25 0.14 0.00 -2.04 0.00 0.00 64.34 62.13 2a5v n VAL 96 Cb 0.57 -1.39 0.64 0.00 -1.47 0.00 0.00 33.84 32.20 2a5v n VAL 96 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2a5v n PRO 97 N 1.92 0.97 -3.77 7.34 -0.04 -1.26 -4.71 135.00 135.45 2a5v n PRO 97 Ca 0.12 -0.36 -0.13 0.00 -0.04 0.00 0.00 63.50 63.09 2a5v n PRO 97 Cb 0.31 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 32.14 2a5v n PRO 97 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2a5v s LEU 98 N -2.28 0.93 -0.16 1.53 2.96 -1.25 -1.47 118.68 118.93 2a5v s LEU 98 Ca 0.34 0.32 -0.04 0.00 -0.22 0.00 0.00 54.13 54.53 2a5v s LEU 98 Cb 0.21 0.44 -0.03 0.00 0.50 0.00 0.00 46.19 47.31 2a5v s LEU 98 CO 0.43 -0.12 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.68 2a5v s ILE 99 N 0.81 3.87 -0.26 6.68 1.01 -0.14 -0.96 121.20 132.22 2a5v s ILE 99 Ca -0.06 -0.36 -0.03 0.00 0.00 0.00 0.00 60.65 60.20 2a5v s ILE 99 Cb -0.08 -2.71 0.02 0.00 0.01 0.00 0.00 42.46 39.70 2a5v s ILE 99 CO -0.04 0.48 -0.02 -0.69 0.00 0.00 0.00 174.94 174.67 2a5v s VAL 100 N 0.51 3.27 -0.41 2.92 1.01 0.79 -0.40 120.40 128.09 2a5v s VAL 100 Ca -0.03 -0.85 -0.22 0.00 0.00 0.00 0.00 61.98 60.88 2a5v s VAL 100 Cb -0.14 -2.65 0.02 0.00 0.00 0.00 0.00 36.38 33.61 2a5v s VAL 100 CO 0.03 0.19 0.72 -0.69 0.00 0.00 0.00 175.10 175.35 2a5v s VAL 101 N 1.40 4.76 -0.44 2.92 1.01 0.29 0.47 120.40 130.81 2a5v s VAL 101 Ca 0.02 0.51 -0.07 0.00 0.00 0.00 0.00 61.98 62.44 2a5v s VAL 101 Cb -0.16 -4.21 0.11 0.00 0.00 0.00 0.00 36.38 32.11 2a5v s VAL 101 CO -0.02 -0.53 0.27 -0.22 0.00 0.00 0.00 175.10 174.60 2a5v s LEU 102 N 3.02 5.40 0.00 3.92 2.96 0.19 -0.83 118.68 133.33 2a5v s LEU 102 Ca 0.27 -1.84 0.08 0.00 -0.22 0.00 0.00 54.13 52.42 2a5v s LEU 102 Cb -0.13 -1.94 0.11 0.00 0.50 0.00 0.00 46.19 44.72 2a5v s LEU 102 CO 0.19 -0.60 0.86 0.61 -1.32 0.00 0.00 176.35 176.08 2a5v n GLY 103 N 4.81 1.72 3.68 7.98 0.00 0.60 -2.99 105.19 120.98 2a5v n GLY 103 Ca -0.07 -2.19 -0.07 0.00 0.00 0.00 0.00 46.02 43.69 2a5v n GLY 103 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2a5v s HIS 104 N -2.76 -0.26 0.57 1.61 -3.43 -1.26 0.13 115.29 109.88 2a5v s HIS 104 Ca 0.63 -0.04 -0.10 0.00 -0.80 0.00 0.00 55.06 54.75 2a5v s HIS 104 Cb -0.05 0.63 -0.04 0.00 -1.43 0.00 0.00 32.58 31.69 2a5v s HIS 104 CO 0.40 -0.90 0.95 0.16 -2.00 0.00 0.00 174.74 173.36 2a5v s ASP 105 N -2.82 6.29 -1.12 7.38 -4.77 -1.07 -4.07 116.67 116.49 2a5v s ASP 105 Ca 0.09 1.30 -0.07 0.00 -3.30 0.00 0.00 52.55 50.57 2a5v s ASP 105 Cb -0.03 -2.41 0.01 0.00 -1.09 0.00 0.00 42.92 39.40 2a5v s ASP 105 CO -0.01 -0.75 0.98 -0.24 0.70 0.00 0.00 175.17 175.85 2a5v n SER 106 N -2.46 -5.31 -4.61 2.11 2.88 -1.26 -4.82 113.62 100.15 2a5v n SER 106 Ca 0.05 -0.46 -0.42 0.00 -1.33 0.00 0.00 58.87 56.70 2a5v n SER 106 Cb 0.54 -4.31 -0.04 0.00 -0.75 0.00 0.00 64.21 59.65 2a5v n SER 106 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2a5v h GLY 108 N 9.81 0.00 0.83 0.00 0.00 -1.95 -1.24 103.07 110.52 2a5v h GLY 108 Ca -0.23 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 46.86 2a5v h GLY 108 CO 0.95 0.00 -1.04 0.00 0.00 0.00 0.00 176.54 176.45 2a5v h ALA 109 N 1.97 -0.09 -0.59 3.60 0.00 -1.94 -1.97 119.26 120.24 2a5v h ALA 109 Ca -0.00 -0.77 -0.03 0.00 0.00 0.00 0.00 54.91 54.11 2a5v h ALA 109 Cb 0.12 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2a5v h ALA 109 CO 0.00 0.49 0.25 0.28 0.00 0.00 0.00 179.25 180.28 2a5v h VAL 110 N -0.23 1.22 -0.29 0.00 2.07 -1.89 -2.02 116.25 115.12 2a5v h VAL 110 Ca -0.18 -0.67 0.02 0.00 0.82 0.00 0.00 66.70 66.68 2a5v h VAL 110 Cb 1.80 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 2a5v h VAL 110 CO 0.18 0.27 0.13 -1.13 0.02 0.00 0.00 177.57 177.03 2a5v h ASN 111 N 0.81 0.18 0.15 0.57 -1.24 -1.32 -0.26 115.58 114.47 2a5v h ASN 111 Ca 0.20 0.02 -0.05 0.00 0.71 0.00 0.00 56.30 57.18 2a5v h ASN 111 Cb 0.18 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.21 2a5v h ASN 111 CO -0.02 0.14 -0.18 0.00 -1.29 0.00 0.00 177.43 176.08 2a5v h ALA 112 N 1.16 1.61 -0.03 1.57 0.00 -1.26 -0.69 119.26 121.61 2a5v h ALA 112 Ca 0.12 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 54.63 2a5v h ALA 112 Cb 0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2a5v h ALA 112 CO -0.10 0.29 -0.86 0.00 0.00 0.00 0.00 179.25 178.59 2a5v h ALA 113 N 1.75 0.46 -0.02 0.00 0.00 -0.99 -2.06 119.26 118.40 2a5v h ALA 113 Ca 0.01 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2a5v h ALA 113 Cb 0.37 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2a5v h ALA 113 CO 0.03 0.80 0.01 -0.07 0.00 0.00 0.00 179.25 180.02 2a5v h LEU 114 N 0.25 0.03 -1.30 0.00 3.38 -0.32 -2.35 115.31 114.99 2a5v h LEU 114 Ca -0.06 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2a5v h LEU 114 Cb 1.47 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.18 2a5v h LEU 114 CO 0.15 0.03 0.30 0.00 0.09 0.00 0.00 178.44 179.01 2a5v h ALA 115 N 1.00 1.47 -0.28 1.53 0.00 -1.11 -1.20 119.26 120.67 2a5v h ALA 115 Ca 0.01 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2a5v h ALA 115 Cb 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2a5v h ALA 115 CO -0.00 0.44 -0.07 0.00 0.00 0.00 0.00 179.25 179.61 2a5v h ALA 116 N 1.55 0.38 -0.24 0.00 0.00 -1.17 0.67 119.26 120.44 2a5v h ALA 116 Ca 0.20 -0.28 -0.20 0.00 0.00 0.00 0.00 54.91 54.63 2a5v h ALA 116 Cb 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2a5v h ALA 116 CO -0.03 0.20 -0.62 0.82 0.00 0.00 0.00 179.25 179.62 2a5v h ILE 117 N 0.29 1.28 0.06 0.00 2.04 -1.20 0.53 117.51 120.51 2a5v h ILE 117 Ca 0.07 -1.81 -0.27 0.00 1.00 0.00 0.00 64.86 63.85 2a5v h ILE 117 Cb 0.55 1.74 0.02 0.00 -0.74 0.00 0.00 36.82 38.39 2a5v h ILE 117 CO 0.03 0.58 -1.12 0.78 0.00 0.00 0.00 178.15 178.42 2a5v h ASN 118 N 0.62 0.74 0.00 1.72 2.35 -1.30 -3.41 115.58 116.30 2a5v h ASN 118 Ca -0.01 -0.65 -0.01 0.00 -0.55 0.00 0.00 56.30 55.09 2a5v h ASN 118 Cb 1.23 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 39.37 2a5v h ASN 118 CO 0.13 1.46 -1.24 0.47 -1.65 0.00 0.00 177.43 176.60 2a5v n ASP 119 N -3.76 3.85 -0.43 5.81 8.00 0.22 -5.00 116.55 125.24 2a5v n ASP 119 Ca -0.11 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.34 2a5v n ASP 119 Cb 0.93 1.15 -0.02 0.00 -0.02 0.00 0.00 41.12 43.16 2a5v n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a5v n GLY 120 N 2.28 0.63 3.62 0.44 0.00 0.18 -4.99 105.19 107.34 2a5v n GLY 120 Ca -0.02 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 2a5v n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2a5v s THR 121 N -2.20 4.72 -0.00 2.61 2.01 -1.18 -4.94 115.64 116.65 2a5v s THR 121 Ca 0.00 1.29 0.02 0.00 0.31 0.00 0.00 61.69 63.32 2a5v s THR 121 Cb 0.00 -4.22 -0.01 0.00 0.01 0.00 0.00 72.50 68.29 2a5v s THR 121 CO 0.00 -0.32 -0.08 -0.76 -0.69 0.00 0.00 174.62 172.77 2a5v s LEU 122 N 3.13 2.02 0.87 4.42 1.43 -1.26 -2.74 118.68 126.54 2a5v s LEU 122 Ca 0.35 -0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 53.18 2a5v s LEU 122 Cb -0.14 -0.41 0.11 0.00 0.03 0.00 0.00 46.19 45.78 2a5v s LEU 122 CO 0.13 0.09 1.14 -2.16 0.23 0.00 0.00 176.35 175.79 2a5v s PRO 123 N -0.22 1.51 0.13 1.29 0.05 -1.26 -5.05 135.00 131.44 2a5v s PRO 123 Ca 0.03 0.31 0.02 0.00 0.05 0.00 0.00 61.00 61.41 2a5v s PRO 123 Cb -0.03 -1.88 0.02 0.00 0.05 0.00 0.00 34.50 32.66 2a5v s PRO 123 CO -0.00 -1.95 0.17 0.41 0.05 0.00 0.00 177.00 175.68 2a5v n GLY 124 N -2.45 1.73 7.00 0.56 0.00 -1.26 -4.25 105.19 106.52 2a5v n GLY 124 Ca 0.07 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.97 2a5v n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a5v n GLY 125 N 3.50 1.76 0.01 -0.02 0.00 -1.26 -2.86 105.19 106.32 2a5v n GLY 125 Ca 0.03 -0.47 0.14 0.00 0.00 0.00 0.00 46.02 45.73 2a5v n GLY 125 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2a5v n TYR 126 N 7.12 0.05 -0.10 1.61 4.01 -1.26 -3.26 117.16 125.33 2a5v n TYR 126 Ca 0.00 0.02 -0.05 0.00 -0.16 0.00 0.00 57.90 57.71 2a5v n TYR 126 Cb 0.00 -0.51 0.15 0.00 -0.31 0.00 0.00 39.34 38.67 2a5v n TYR 126 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2a5v h VAL 127 N 0.00 1.25 -0.97 -0.72 2.07 -1.88 -1.59 116.25 114.40 2a5v h VAL 127 Ca 0.00 -1.06 0.19 0.00 0.82 0.00 0.00 66.70 66.65 2a5v h VAL 127 Cb 0.51 0.94 -0.11 0.00 -1.52 0.00 0.00 31.29 31.12 2a5v h VAL 127 CO 0.00 0.37 0.56 -0.09 0.02 0.00 0.00 177.57 178.43 2a5v h ARG 128 N 0.72 0.68 -0.49 1.57 2.43 -1.52 -1.06 114.38 116.70 2a5v h ARG 128 Ca 0.13 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 2a5v h ARG 128 Cb 0.50 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 2a5v h ARG 128 CO 0.03 0.45 0.24 -0.44 -1.51 0.00 0.00 179.97 178.73 2a5v h ASP 129 N 0.70 0.61 0.24 -3.80 3.45 -1.47 0.97 116.42 117.12 2a5v h ASP 129 Ca 0.56 -0.05 -0.01 0.00 0.43 0.00 0.00 57.03 57.96 2a5v h ASP 129 Cb 0.89 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 39.50 2a5v h ASP 129 CO -0.40 0.52 -0.11 0.58 -1.57 0.00 0.00 179.24 178.26 2a5v h VAL 130 N 0.69 0.82 -0.49 -1.35 2.07 -1.14 -3.14 116.25 113.71 2a5v h VAL 130 Ca 0.17 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.24 2a5v h VAL 130 Cb 0.07 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 2a5v h VAL 130 CO -0.02 0.10 0.31 0.58 0.02 0.00 0.00 177.57 178.56 2a5v h VAL 131 N -0.56 1.09 -0.82 2.57 2.07 -1.01 -2.09 116.25 117.50 2a5v h VAL 131 Ca -0.03 -0.22 0.19 0.00 0.82 0.00 0.00 66.70 67.46 2a5v h VAL 131 Cb 0.41 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 2a5v h VAL 131 CO 0.05 0.11 0.55 -0.33 0.02 0.00 0.00 177.57 177.98 2a5v h GLU 132 N 0.63 0.33 0.00 1.57 5.08 -0.89 0.04 114.58 121.33 2a5v h GLU 132 Ca 0.19 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.41 2a5v h GLU 132 Cb -0.04 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2a5v h GLU 132 CO -0.06 0.22 -0.57 0.00 -1.00 0.00 0.00 179.01 177.60 2a5v h ARG 133 N 0.34 0.00 0.00 2.33 3.08 -1.34 -3.27 114.38 115.53 2a5v h ARG 133 Ca 0.41 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.28 2a5v h ARG 133 Cb 1.09 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.11 2a5v h ARG 133 CO -0.13 0.57 -1.13 0.28 -1.07 0.00 0.00 179.97 178.49 2a5v h VAL 134 N 0.00 0.95 -0.73 2.04 2.07 -0.72 -3.40 116.25 116.47 2a5v h VAL 134 Ca -0.01 -2.53 0.11 0.00 0.82 0.00 0.00 66.70 65.09 2a5v h VAL 134 Cb 1.43 2.41 -0.08 0.00 -1.52 0.00 0.00 31.29 33.53 2a5v h VAL 134 CO 0.07 0.54 0.34 0.00 0.02 0.00 0.00 177.57 178.54 2a5v h ALA 135 N 1.26 1.01 -0.10 1.67 0.00 -1.12 -1.57 119.26 120.41 2a5v h ALA 135 Ca -0.11 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2a5v h ALA 135 Cb 1.66 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 2a5v h ALA 135 CO 0.08 -0.11 -0.08 -1.35 0.00 0.00 0.00 179.25 177.79 2a5v h PRO 136 N 0.55 0.15 -0.72 0.00 0.11 -1.77 0.16 132.00 130.48 2a5v h PRO 136 Ca 0.37 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.52 2a5v h PRO 136 Cb 0.46 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 31.49 2a5v h PRO 136 CO -0.32 0.24 0.41 0.77 -0.21 0.00 0.00 178.00 178.90 2a5v h SER 137 N 0.15 0.61 -0.39 -2.05 0.02 -1.55 0.13 113.55 110.46 2a5v h SER 137 Ca 0.03 0.03 -0.15 0.00 -0.84 0.00 0.00 61.79 60.87 2a5v h SER 137 Cb 0.24 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 2a5v h SER 137 CO 0.01 0.38 -0.34 0.58 -1.14 0.00 0.00 176.83 176.32 2a5v h VAL 138 N 0.74 1.27 -0.28 2.27 2.07 -1.17 -1.78 116.25 119.38 2a5v h VAL 138 Ca 0.33 -1.51 -0.04 0.00 0.82 0.00 0.00 66.70 66.30 2a5v h VAL 138 Cb 0.22 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2a5v h VAL 138 CO -0.20 0.51 0.03 -0.07 0.02 0.00 0.00 177.57 177.86 2a5v h LEU 139 N 0.78 0.45 -0.44 2.57 3.38 -0.75 -1.45 115.31 119.85 2a5v h LEU 139 Ca 0.07 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 2a5v h LEU 139 Cb 0.93 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 2a5v h LEU 139 CO 0.09 0.61 0.10 -0.07 0.09 0.00 0.00 178.44 179.26 2a5v h LEU 140 N 0.27 0.67 -0.91 1.67 3.38 -0.70 -1.64 115.31 118.05 2a5v h LEU 140 Ca 0.08 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 2a5v h LEU 140 Cb 0.36 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2a5v h LEU 140 CO 0.01 0.74 -0.14 1.23 0.09 0.00 0.00 178.44 180.37 2a5v h GLY 141 N 0.58 0.70 1.02 0.83 0.00 -1.33 -2.77 103.07 102.10 2a5v h GLY 141 Ca 0.14 -0.52 -0.09 0.00 0.00 0.00 0.00 47.33 46.86 2a5v h GLY 141 CO 0.00 0.48 -0.03 -0.09 0.00 0.00 0.00 176.54 176.90 2a5v h ARG 142 N 0.59 0.89 -0.52 4.80 2.43 -1.10 -0.68 114.38 120.78 2a5v h ARG 142 Ca 0.10 -0.30 0.12 0.00 -0.81 0.00 0.00 59.98 59.09 2a5v h ARG 142 Cb 0.57 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 2a5v h ARG 142 CO 0.04 0.94 0.36 -0.09 -1.51 0.00 0.00 179.97 179.71 2a5v h ARG 143 N 0.74 0.15 -0.62 0.20 2.43 -1.03 -1.34 114.38 114.90 2a5v h ARG 143 Ca 0.13 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2a5v h ARG 143 Cb 0.56 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2a5v h ARG 143 CO 0.03 0.10 0.00 -0.25 -1.51 0.00 0.00 179.97 178.34 2a5v n ASP 144 N -4.43 3.77 -0.14 -3.80 8.00 -0.89 -4.93 116.55 114.13 2a5v n ASP 144 Ca 0.09 -2.35 -0.02 0.00 0.71 0.00 0.00 54.79 53.23 2a5v n ASP 144 Cb 0.48 -0.51 -0.01 0.00 -0.02 0.00 0.00 41.12 41.07 2a5v n ASP 144 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a5v n GLY 145 N 0.94 0.54 3.76 0.44 0.00 -0.51 -5.02 105.19 105.34 2a5v n GLY 145 Ca 0.20 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 45.07 2a5v n GLY 145 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a5v s LEU 146 N -0.42 4.46 0.00 0.99 1.43 -0.31 -4.92 118.68 119.91 2a5v s LEU 146 Ca 0.00 2.47 0.00 0.00 -1.03 0.00 0.00 54.13 55.57 2a5v s LEU 146 Cb 0.00 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 42.54 2a5v s LEU 146 CO 0.00 -0.37 0.00 -1.54 0.23 0.00 0.00 176.35 174.67 2a5v n SER 147 N 0.90 0.62 -4.82 2.29 3.41 -1.26 -4.46 113.62 110.30 2a5v n SER 147 Ca -0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 2a5v n SER 147 Cb 0.44 0.11 -0.06 0.00 -0.26 0.00 0.00 64.21 64.43 2a5v n SER 147 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2a5v s ARG 148 N -0.49 4.22 0.22 4.33 0.52 -1.26 -4.99 118.95 121.50 2a5v s ARG 148 Ca 0.00 0.83 -0.05 0.00 -0.52 0.00 0.00 55.73 55.99 2a5v s ARG 148 Cb 0.00 -2.87 0.19 0.00 0.52 0.00 0.00 34.95 32.79 2a5v s ARG 148 CO 0.00 0.40 1.67 0.28 0.02 0.00 0.00 175.30 177.66 2a5v h VAL 149 N 2.73 1.26 -0.09 3.52 2.07 -2.01 -1.95 116.25 121.78 2a5v h VAL 149 Ca -0.48 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 65.84 2a5v h VAL 149 Cb 1.19 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 2a5v h VAL 149 CO 0.65 0.42 0.06 -2.24 0.02 0.00 0.00 177.57 176.48 2a5v h ASP 150 N 0.78 0.09 -0.32 0.57 2.03 -1.99 -2.52 116.42 115.06 2a5v h ASP 150 Ca 0.13 -0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 56.28 2a5v h ASP 150 Cb 0.61 -0.02 -0.00 0.00 -0.83 0.00 0.00 39.33 39.09 2a5v h ASP 150 CO 0.04 0.07 -0.39 -0.33 -1.03 0.00 0.00 179.24 177.60 2a5v h GLU 151 N 0.11 0.83 -0.28 4.15 5.08 -1.76 -2.76 114.58 119.94 2a5v h GLU 151 Ca 0.03 -0.46 -0.05 0.00 -1.00 0.00 0.00 59.36 57.88 2a5v h GLU 151 Cb 0.01 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2a5v h GLU 151 CO -0.01 1.10 -0.04 0.74 -1.00 0.00 0.00 179.01 179.81 2a5v h PHE 152 N 0.61 0.58 -0.89 4.33 0.04 -1.30 -1.31 116.94 119.01 2a5v h PHE 152 Ca 0.04 -0.11 0.20 0.00 2.80 0.00 0.00 57.97 60.89 2a5v h PHE 152 Cb 0.98 -0.15 -0.17 0.00 2.20 0.00 0.00 35.95 38.82 2a5v h PHE 152 CO 0.07 0.70 -0.14 0.93 -0.60 0.00 0.00 178.31 179.27 2a5v h GLU 153 N 0.30 0.02 -0.27 1.51 5.08 -1.49 0.35 114.58 120.08 2a5v h GLU 153 Ca 0.08 -0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.33 2a5v h GLU 153 Cb 0.49 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 2a5v h GLU 153 CO 0.02 0.01 -0.26 1.96 -1.00 0.00 0.00 179.01 179.74 2a5v h GLN 154 N 0.02 0.65 -0.66 2.33 4.20 -1.33 -2.61 115.11 117.72 2a5v h GLN 154 Ca 0.46 -0.34 0.02 0.00 0.06 0.00 0.00 58.65 58.85 2a5v h GLN 154 Cb 0.77 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.53 2a5v h GLN 154 CO -0.89 0.95 0.43 -0.09 -0.67 0.00 0.00 178.83 178.56 2a5v h ARG 155 N 0.38 0.81 -0.21 1.46 9.65 -0.10 -1.71 114.38 124.67 2a5v h ARG 155 Ca 0.04 -0.05 -0.14 0.00 -1.10 0.00 0.00 59.98 58.74 2a5v h ARG 155 Cb 0.82 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 29.21 2a5v h ARG 155 CO 0.06 0.54 -0.45 1.25 2.80 0.00 0.00 179.97 184.17 2a5v h HIS 156 N 0.84 0.63 -0.10 2.20 2.76 -0.21 -0.51 115.15 120.77 2a5v h HIS 156 Ca 0.25 -0.20 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 2a5v h HIS 156 Cb -0.02 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 28.81 2a5v h HIS 156 CO -0.00 0.88 0.04 0.28 -1.30 0.00 0.00 177.93 177.83 2a5v h VAL 157 N 0.42 1.14 -0.42 5.26 2.07 -1.07 -1.77 116.25 121.88 2a5v h VAL 157 Ca 0.03 -0.42 0.06 0.00 0.82 0.00 0.00 66.70 67.18 2a5v h VAL 157 Cb 0.96 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.93 2a5v h VAL 157 CO 0.09 0.12 0.13 -0.74 0.02 0.00 0.00 177.57 177.19 2a5v h HIS 158 N 0.00 0.22 -0.80 1.57 6.17 -1.03 -1.59 115.15 119.70 2a5v h HIS 158 Ca 0.03 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.12 2a5v h HIS 158 Cb 0.16 -0.04 -0.04 0.00 2.52 0.00 0.00 27.41 30.02 2a5v h HIS 158 CO -0.02 0.07 0.45 0.93 0.71 0.00 0.00 177.93 180.07 2a5v h GLU 159 N 0.28 1.10 -0.10 5.26 4.39 -1.04 -1.18 114.58 123.29 2a5v h GLU 159 Ca 0.20 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 2a5v h GLU 159 Cb 0.21 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 28.63 2a5v h GLU 159 CO -0.22 0.80 0.05 1.15 -1.16 0.00 0.00 179.01 179.62 2a5v h THR 160 N 1.11 1.12 -0.48 1.13 2.02 -0.89 0.15 112.91 117.07 2a5v h THR 160 Ca 0.28 -0.36 0.10 0.00 0.77 0.00 0.00 66.41 67.20 2a5v h THR 160 Cb 0.01 1.18 -0.09 0.00 -1.74 0.00 0.00 68.15 67.51 2a5v h THR 160 CO -0.05 0.11 -0.07 0.58 0.37 0.00 0.00 175.52 176.46 2a5v h VAL 161 N 0.03 0.56 -0.53 3.16 2.07 -1.05 -2.02 116.25 118.48 2a5v h VAL 161 Ca 0.04 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 2a5v h VAL 161 Cb 0.13 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 2a5v h VAL 161 CO -0.00 0.01 0.26 0.00 0.02 0.00 0.00 177.57 177.86 2a5v h ALA 162 N 1.46 0.68 -0.53 1.67 0.00 -0.86 -2.20 119.26 119.48 2a5v h ALA 162 Ca 0.24 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.07 2a5v h ALA 162 Cb 0.36 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2a5v h ALA 162 CO -0.46 0.23 0.29 0.82 0.00 0.00 0.00 179.25 180.13 2a5v h ILE 163 N 0.70 0.99 -0.31 0.00 2.04 -0.47 -0.59 117.51 119.87 2a5v h ILE 163 Ca 0.18 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 2a5v h ILE 163 Cb 0.10 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 2a5v h ILE 163 CO -0.02 0.10 0.19 -0.07 0.00 0.00 0.00 178.15 178.35 2a5v h LEU 164 N 0.56 0.36 -0.38 1.44 3.38 -1.19 -0.61 115.31 118.88 2a5v h LEU 164 Ca 0.23 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.20 2a5v h LEU 164 Cb 0.10 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 2a5v h LEU 164 CO -0.14 0.29 0.12 0.24 0.09 0.00 0.00 178.44 179.05 2a5v h MET 165 N 0.40 0.26 -0.00 1.13 2.86 -1.29 -2.41 114.93 115.88 2a5v h MET 165 Ca 0.11 -0.02 -0.14 0.00 -2.06 0.00 0.00 59.70 57.60 2a5v h MET 165 Cb -0.01 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 2a5v h MET 165 CO -0.02 0.17 -0.64 0.00 1.06 0.00 0.00 176.91 177.48 2a5v h ALA 166 N 1.25 0.94 0.00 6.32 0.00 -0.78 -3.32 119.26 123.67 2a5v h ALA 166 Ca 0.17 -0.58 -0.15 0.00 0.00 0.00 0.00 54.91 54.35 2a5v h ALA 166 Cb 0.16 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2a5v h ALA 166 CO -0.19 0.80 -1.47 0.54 0.00 0.00 0.00 179.25 178.93 2a5v n ARG 167 N -3.78 0.63 -4.03 0.00 5.12 -0.27 -4.83 116.66 109.49 2a5v n ARG 167 Ca -0.01 0.17 -0.32 0.00 -1.93 0.00 0.00 57.85 55.76 2a5v n ARG 167 Cb 0.64 -1.77 -0.15 0.00 -1.16 0.00 0.00 32.46 30.02 2a5v n ARG 167 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2a5v s SER 168 N -5.62 4.63 0.22 0.55 0.15 -0.91 -4.95 113.70 107.77 2a5v s SER 168 Ca -0.03 -1.76 0.08 0.00 0.70 0.00 0.00 55.95 54.94 2a5v s SER 168 Cb 0.09 -1.60 0.17 0.00 -1.71 0.00 0.00 66.02 62.97 2a5v s SER 168 CO 0.82 -0.29 1.50 0.77 1.20 0.00 0.00 173.24 177.24 2a5v h SER 169 N 7.71 0.05 -0.79 5.45 4.64 -1.87 -0.97 113.55 127.77 2a5v h SER 169 Ca -0.12 -0.03 0.15 0.00 -0.47 0.00 0.00 61.79 61.31 2a5v h SER 169 Cb 1.03 -0.01 -0.10 0.00 -0.31 0.00 0.00 62.40 63.01 2a5v h SER 169 CO 0.50 0.76 0.35 0.00 -0.87 0.00 0.00 176.83 177.57 2a5v h ALA 170 N 1.23 1.15 0.11 5.18 0.00 -1.96 0.64 119.26 125.60 2a5v h ALA 170 Ca -0.01 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2a5v h ALA 170 Cb 1.30 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2a5v h ALA 170 CO 0.10 -0.17 -0.05 0.82 0.00 0.00 0.00 179.25 179.95 2a5v h ILE 171 N 0.50 1.00 -0.56 0.00 2.04 -1.83 -3.23 117.51 115.43 2a5v h ILE 171 Ca 0.43 -1.33 -0.00 0.00 1.00 0.00 0.00 64.86 64.96 2a5v h ILE 171 Cb 0.65 1.73 -0.03 0.00 -0.74 0.00 0.00 36.82 38.44 2a5v h ILE 171 CO -0.39 0.28 0.35 0.77 0.00 0.00 0.00 178.15 179.15 2a5v h SER 172 N -0.86 0.66 -0.28 1.72 4.64 -1.00 -1.60 113.55 116.84 2a5v h SER 172 Ca -0.01 -0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 61.14 2a5v h SER 172 Cb 0.56 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 2a5v h SER 172 CO 0.02 0.50 -0.33 -0.33 -0.87 0.00 0.00 176.83 175.83 2a5v h GLU 173 N 0.77 0.81 -0.18 4.77 5.08 -1.02 -2.12 114.58 122.68 2a5v h GLU 173 Ca 0.20 -0.38 -0.15 0.00 -1.00 0.00 0.00 59.36 58.03 2a5v h GLU 173 Cb -0.04 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2a5v h GLU 173 CO -0.04 1.02 -0.52 0.00 -1.00 0.00 0.00 179.01 178.46 2a5v h ARG 174 N 0.68 0.52 -0.39 2.33 3.08 -1.43 0.19 114.38 119.36 2a5v h ARG 174 Ca 0.07 -0.31 -0.07 0.00 0.07 0.00 0.00 59.98 59.73 2a5v h ARG 174 Cb 0.88 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.94 2a5v h ARG 174 CO 0.08 0.91 -0.06 0.82 -1.07 0.00 0.00 179.97 180.65 2a5v h ILE 175 N 0.40 1.23 -0.52 2.04 2.04 -1.29 0.04 117.51 121.46 2a5v h ILE 175 Ca 0.01 -1.01 -0.10 0.00 1.00 0.00 0.00 64.86 64.76 2a5v h ILE 175 Cb 1.05 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 2a5v h ILE 175 CO 0.10 0.34 -0.09 0.00 0.00 0.00 0.00 178.15 178.50 2a5v h ALA 176 N 1.33 0.71 0.00 1.87 0.00 -1.12 -3.10 119.26 118.95 2a5v h ALA 176 Ca 0.11 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2a5v h ALA 176 Cb 0.47 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2a5v h ALA 176 CO 0.02 0.60 0.00 0.78 0.00 0.00 0.00 179.25 180.65 2a5v h GLY 177 N 0.83 0.00 0.00 0.00 0.00 -0.74 -3.48 103.07 99.68 2a5v h GLY 177 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2a5v h GLY 177 CO 0.04 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.19 2a5v n GLY 178 N 0.64 0.54 0.08 4.60 0.00 -0.04 -4.95 105.19 106.07 2a5v n GLY 178 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 2a5v n GLY 178 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2a5v h SER 179 N 0.00 0.00 -4.39 1.61 4.64 -1.75 -3.46 113.55 110.20 2a5v h SER 179 Ca 0.00 -0.16 -0.44 0.00 -0.47 0.00 0.00 61.79 60.72 2a5v h SER 179 Cb 0.00 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 61.86 2a5v h SER 179 CO 0.00 0.08 -0.79 -0.22 -0.87 0.00 0.00 176.83 175.03 2a5v s LEU 180 N -4.35 2.24 0.05 5.97 2.96 -1.12 -4.40 118.68 120.02 2a5v s LEU 180 Ca 0.07 -0.57 0.02 0.00 -0.22 0.00 0.00 54.13 53.43 2a5v s LEU 180 Cb 0.13 -0.60 -0.03 0.00 0.50 0.00 0.00 46.19 46.19 2a5v s LEU 180 CO 0.69 -0.02 -0.08 0.00 -1.32 0.00 0.00 176.35 175.63 2a5v s ALA 181 N -1.11 0.61 -0.10 5.97 0.00 -0.54 -4.17 121.76 122.42 2a5v s ALA 181 Ca 0.00 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.19 2a5v s ALA 181 Cb -0.09 0.05 -0.00 0.00 0.00 0.00 0.00 23.12 23.07 2a5v s ALA 181 CO 0.02 -0.03 -0.22 -1.50 0.00 0.00 0.00 175.76 174.03 2a5v s ILE 182 N -1.53 2.28 -0.08 0.00 2.07 -0.55 -0.96 121.20 122.42 2a5v s ILE 182 Ca -0.08 -0.95 0.04 0.00 -1.41 0.00 0.00 60.65 58.25 2a5v s ILE 182 Cb -0.09 -1.89 -0.01 0.00 0.13 0.00 0.00 42.46 40.60 2a5v s ILE 182 CO 0.00 0.55 -0.21 -0.69 -1.91 0.00 0.00 174.94 172.69 2a5v s VAL 183 N 0.30 2.42 -0.18 4.00 1.01 0.47 -0.65 120.40 127.77 2a5v s VAL 183 Ca -0.16 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 60.87 2a5v s VAL 183 Cb -0.17 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 2a5v s VAL 183 CO 0.08 0.56 -0.05 -0.83 0.00 0.00 0.00 175.10 174.86 2a5v s GLY 184 N -0.01 1.65 0.01 4.51 0.00 0.12 -0.55 107.32 113.05 2a5v s GLY 184 Ca -0.07 -0.98 0.03 0.00 0.00 0.00 0.00 44.72 43.70 2a5v s GLY 184 CO 0.05 0.14 -0.09 0.14 0.00 0.00 0.00 173.10 173.34 2a5v s VAL 185 N 0.87 0.69 -0.19 1.40 1.01 -0.01 -1.22 120.40 122.95 2a5v s VAL 185 Ca -0.01 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 2a5v s VAL 185 Cb -0.15 -0.62 -0.00 0.00 0.00 0.00 0.00 36.38 35.61 2a5v s VAL 185 CO 0.01 0.05 -0.10 0.42 0.00 0.00 0.00 175.10 175.48 2a5v s THR 186 N -0.50 2.99 0.11 3.92 -4.23 -0.54 -0.29 115.64 117.09 2a5v s THR 186 Ca 0.01 -0.64 -0.29 0.00 -1.18 0.00 0.00 61.69 59.58 2a5v s THR 186 Cb -0.05 -2.31 -0.06 0.00 1.34 0.00 0.00 72.50 71.42 2a5v s THR 186 CO 0.00 0.48 0.94 -0.47 -0.54 0.00 0.00 174.62 175.02 2a5v s TYR 187 N 1.15 3.81 -0.32 3.99 5.04 0.12 -1.00 117.35 130.15 2a5v s TYR 187 Ca 0.01 1.77 -0.11 0.00 -2.44 0.00 0.00 57.07 56.30 2a5v s TYR 187 Cb -0.14 -3.02 -0.02 0.00 0.35 0.00 0.00 41.96 39.13 2a5v s TYR 187 CO -0.03 0.23 0.18 -0.65 -1.34 0.00 0.00 175.55 173.94 2a5v s GLN 188 N -0.07 3.47 0.54 4.97 -0.21 -0.03 -2.60 119.66 125.73 2a5v s GLN 188 Ca 0.46 -0.64 0.21 0.00 0.02 0.00 0.00 55.36 55.40 2a5v s GLN 188 Cb -0.23 -3.65 1.44 0.00 1.00 0.00 0.00 33.01 31.57 2a5v s GLN 188 CO 0.29 -0.39 2.17 -0.07 -2.12 0.00 0.00 175.29 175.17 2a5v h LEU 189 N 8.40 0.00 -0.01 2.90 3.38 -1.89 0.18 115.31 128.27 2a5v h LEU 189 Ca -0.32 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 2a5v h LEU 189 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2a5v h LEU 189 CO 0.61 0.02 -0.17 0.44 0.09 0.00 0.00 178.44 179.44 2a5v h ASP 190 N 0.00 0.16 0.00 -0.43 3.32 -1.97 -3.38 116.42 114.11 2a5v h ASP 190 Ca -0.00 -0.76 0.00 0.00 0.02 0.00 0.00 57.03 56.29 2a5v h ASP 190 Cb 0.04 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2a5v h ASP 190 CO 0.00 0.90 -0.55 -0.90 -1.72 0.00 0.00 179.24 176.97 2a5v n ASP 191 N -4.58 0.71 0.00 6.45 5.68 -1.21 -5.01 116.55 118.59 2a5v n ASP 191 Ca -0.09 -0.63 0.00 0.00 -0.50 0.00 0.00 54.79 53.56 2a5v n ASP 191 Cb 0.46 1.05 0.00 0.00 -1.14 0.00 0.00 41.12 41.49 2a5v n ASP 191 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2a5v n GLY 192 N 1.30 0.78 3.71 6.12 0.00 0.65 -4.70 105.19 113.05 2a5v n GLY 192 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2a5v n GLY 192 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2a5v s ARG 193 N -0.23 4.30 -0.39 1.61 0.52 -1.25 -4.70 118.95 118.81 2a5v s ARG 193 Ca 0.00 2.08 -0.19 0.00 -0.52 0.00 0.00 55.73 57.10 2a5v s ARG 193 Cb 0.00 -3.34 0.01 0.00 0.52 0.00 0.00 34.95 32.14 2a5v s ARG 193 CO 0.00 -0.50 0.57 0.00 0.02 0.00 0.00 175.30 175.39 2a5v s ALA 194 N 1.51 3.42 -0.24 2.13 0.00 -1.26 -0.85 121.76 126.47 2a5v s ALA 194 Ca 0.65 -1.12 -0.07 0.00 0.00 0.00 0.00 51.96 51.42 2a5v s ALA 194 Cb -0.36 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 2a5v s ALA 194 CO 0.30 -1.49 0.06 0.08 0.00 0.00 0.00 175.76 174.71 2a5v s VAL 195 N 2.56 4.29 0.02 0.00 1.01 -0.17 -4.92 120.40 123.20 2a5v s VAL 195 Ca 0.20 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 2a5v s VAL 195 Cb -0.15 -2.99 -0.06 0.00 0.00 0.00 0.00 36.38 33.18 2a5v s VAL 195 CO 0.16 0.36 1.49 -0.22 0.00 0.00 0.00 175.10 176.89 2a5v s LEU 196 N 1.44 4.33 0.00 3.92 2.96 -1.26 -1.46 118.68 128.60 2a5v s LEU 196 Ca 0.05 2.24 0.00 0.00 -0.22 0.00 0.00 54.13 56.21 2a5v s LEU 196 Cb -0.15 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.98 2a5v s LEU 196 CO 0.03 -0.78 0.00 0.54 -1.32 0.00 0.00 176.35 174.82 2a5v n ARG 197 N 5.44 3.41 -3.63 1.98 5.12 -0.36 -4.97 116.66 123.66 2a5v n ARG 197 Ca 0.14 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.90 2a5v n ARG 197 Cb 0.42 -0.99 -0.07 0.00 -1.16 0.00 0.00 32.46 30.67 2a5v n ARG 197 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2a5v s ASP 198 N -2.82 -0.45 -0.09 0.55 -1.08 -0.92 -4.98 116.67 106.88 2a5v s ASP 198 Ca 0.00 0.43 -0.30 0.00 -0.52 0.00 0.00 52.55 52.15 2a5v s ASP 198 Cb 0.00 0.44 0.10 0.00 -1.46 0.00 0.00 42.92 42.00 2a5v s ASP 198 CO 0.00 -0.54 0.82 -1.38 0.52 0.00 0.00 175.17 174.59 2a5v s HIS 199 N -1.29 -0.51 -0.13 -5.34 -3.43 -1.26 0.13 115.29 103.46 2a5v s HIS 199 Ca -0.12 0.84 -0.00 0.00 -0.80 0.00 0.00 55.06 54.98 2a5v s HIS 199 Cb -0.02 0.44 -0.02 0.00 -1.43 0.00 0.00 32.58 31.55 2a5v s HIS 199 CO 0.07 -0.50 -0.13 0.42 -2.00 0.00 0.00 174.74 172.61 2a5v s ILE 200 N -1.35 3.11 0.00 -5.38 1.01 0.18 -4.99 121.20 113.78 2a5v s ILE 200 Ca -0.06 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 59.95 2a5v s ILE 200 Cb -0.00 -2.30 0.00 0.00 0.01 0.00 0.00 42.46 40.16 2a5v s ILE 200 CO 0.05 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.12 2a5v n GLY 201 N 3.45 1.24 3.66 6.18 0.00 -1.26 -1.48 105.19 116.98 2a5v n GLY 201 Ca -0.18 -1.84 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 2a5v n GLY 201 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2a5v s ASN 202 N -0.75 7.01 -0.21 1.61 2.47 -1.26 -4.89 114.94 118.92 2a5v s ASN 202 Ca 0.00 1.56 0.13 0.00 0.42 0.00 0.00 52.86 54.97 2a5v s ASN 202 Cb 0.00 -2.54 0.44 0.00 -1.45 0.00 0.00 41.25 37.70 2a5v s ASN 202 CO 0.00 -0.72 1.31 2.30 -3.72 0.00 0.00 177.10 176.27 2a5v n ILE 203 N 5.34 2.26 -0.97 -5.21 -5.35 -1.26 -4.07 119.36 110.10 2a5v n ILE 203 Ca 0.13 -2.66 0.00 0.00 -0.27 0.00 0.00 62.75 59.95 2a5v n ILE 203 Cb 0.45 -0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.09 2a5v n ILE 203 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40