#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 8fab s LEU 4 N 0.00 3.82 -0.19 4.31 1.43 -1.26 -4.62 118.68 122.17 8fab s LEU 4 Ca 0.00 0.05 -0.09 0.00 -1.03 0.00 0.00 54.13 53.06 8fab s LEU 4 Cb 0.00 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 44.19 8fab s LEU 4 CO 0.00 0.12 0.11 -0.89 0.23 0.00 0.00 176.35 175.92 8fab s THR 5 N 0.67 5.21 0.09 5.49 2.01 0.25 -4.10 115.64 125.26 8fab s THR 5 Ca 0.04 0.12 0.04 0.00 0.31 0.00 0.00 61.69 62.20 8fab s THR 5 Cb -0.13 -3.37 -0.03 0.00 0.01 0.00 0.00 72.50 68.98 8fab s THR 5 CO 0.02 0.45 -0.11 -1.10 -0.69 0.00 0.00 174.62 173.18 8fab s GLN 6 N 0.36 0.82 0.47 4.92 -0.21 -1.26 -1.59 119.66 123.17 8fab s GLN 6 Ca 0.06 -1.09 -0.23 0.00 0.02 0.00 0.00 55.36 54.13 8fab s GLN 6 Cb -0.11 -0.58 -0.07 0.00 1.00 0.00 0.00 33.01 33.24 8fab s GLN 6 CO -0.01 0.10 1.22 -1.25 -2.12 0.00 0.00 175.29 173.23 8fab s PRO 7 N -2.48 3.65 0.31 2.91 0.04 -1.26 -4.85 135.00 133.32 8fab s PRO 7 Ca 0.03 1.91 -0.01 0.00 0.04 0.00 0.00 61.00 62.96 8fab s PRO 7 Cb -0.05 -2.41 0.49 0.00 0.04 0.00 0.00 34.50 32.57 8fab s PRO 7 CO 0.01 -0.68 1.98 -1.00 0.04 0.00 0.00 177.00 177.35 8fab h PRO 8 N 1.99 1.03 -3.40 0.56 0.13 -1.97 -3.37 132.00 126.96 8fab h PRO 8 Ca -0.50 -0.06 -0.05 0.00 -0.87 0.00 0.00 66.00 64.52 8fab h PRO 8 Cb 1.26 -0.23 -0.13 0.00 0.13 0.00 0.00 31.00 32.03 8fab h PRO 8 CO 0.60 0.68 -0.08 -1.54 -0.23 0.00 0.00 178.00 177.43 8fab s SER 9 N -6.33 -0.22 0.00 1.44 1.04 -1.26 -1.23 113.70 107.14 8fab s SER 9 Ca -0.11 -0.33 0.01 0.00 0.48 0.00 0.00 55.95 56.00 8fab s SER 9 Cb 0.18 0.47 -0.01 0.00 0.10 0.00 0.00 66.02 66.76 8fab s SER 9 CO 0.79 -0.85 -0.03 -0.69 0.98 0.00 0.00 173.24 173.44 8fab s VAL 10 N -3.81 0.21 -0.02 5.02 1.01 -0.49 -4.90 120.40 117.42 8fab s VAL 10 Ca 0.03 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 61.80 8fab s VAL 10 Cb 0.02 -0.21 -0.00 0.00 0.00 0.00 0.00 36.38 36.18 8fab s VAL 10 CO -0.12 -0.03 -0.13 -0.94 0.00 0.00 0.00 175.10 173.88 8fab s SER 11 N -0.30 1.65 0.08 3.32 1.04 -1.26 -1.52 113.70 116.72 8fab s SER 11 Ca -0.01 -0.26 0.02 0.00 0.48 0.00 0.00 55.95 56.17 8fab s SER 11 Cb -0.02 -0.35 -0.04 0.00 0.10 0.00 0.00 66.02 65.71 8fab s SER 11 CO -0.00 0.13 -0.07 0.68 0.98 0.00 0.00 173.24 174.97 8fab s VAL 12 N -0.05 0.63 0.50 5.02 -7.23 -0.39 -4.95 120.40 113.92 8fab s VAL 12 Ca 0.00 -1.76 -0.14 0.00 -1.81 0.00 0.00 61.98 58.27 8fab s VAL 12 Cb -0.08 -1.46 -0.07 0.00 0.56 0.00 0.00 36.38 35.33 8fab s VAL 12 CO 0.01 -0.79 0.93 -0.44 -0.31 0.00 0.00 175.10 174.50 8fab s SER 13 N -2.74 6.56 0.29 4.85 0.01 -1.26 -0.07 113.70 121.33 8fab s SER 13 Ca 0.07 1.44 -0.29 0.00 1.31 0.00 0.00 55.95 58.48 8fab s SER 13 Cb 0.02 -2.45 -0.13 0.00 0.21 0.00 0.00 66.02 63.67 8fab s SER 13 CO -0.04 -0.56 1.23 -2.65 0.41 0.00 0.00 173.24 171.63 8fab n PRO 14 N -1.62 1.82 0.00 12.44 -0.02 -1.26 -1.87 135.00 144.49 8fab n PRO 14 Ca 0.05 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 8fab n PRO 14 Cb 0.54 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 8fab n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 8fab n GLY 15 N 1.34 2.52 3.94 -1.23 0.00 -0.03 -4.93 105.19 106.79 8fab n GLY 15 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 8fab n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 8fab s GLN 16 N -0.17 2.02 -0.23 1.61 -0.21 -0.78 -4.05 119.66 117.84 8fab s GLN 16 Ca 0.00 -0.35 -0.14 0.00 0.02 0.00 0.00 55.36 54.89 8fab s GLN 16 Cb 0.00 -2.16 -0.04 0.00 1.00 0.00 0.00 33.01 31.81 8fab s GLN 16 CO 0.00 -1.35 0.32 0.99 -2.12 0.00 0.00 175.29 173.13 8fab s THR 17 N -3.29 5.24 -0.12 -0.19 2.01 -1.26 -1.17 115.64 116.86 8fab s THR 17 Ca 0.62 0.52 -0.10 0.00 0.31 0.00 0.00 61.69 63.04 8fab s THR 17 Cb -0.10 -3.66 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 8fab s THR 17 CO 0.45 0.25 0.22 0.00 -0.69 0.00 0.00 174.62 174.85 8fab s ALA 18 N 1.45 3.76 -0.10 7.40 0.00 -0.17 -4.95 121.76 129.15 8fab s ALA 18 Ca 0.15 -0.54 0.03 0.00 0.00 0.00 0.00 51.96 51.60 8fab s ALA 18 Cb -0.15 -2.16 0.01 0.00 0.00 0.00 0.00 23.12 20.82 8fab s ALA 18 CO 0.08 0.41 -0.18 1.03 0.00 0.00 0.00 175.76 177.10 8fab s ARG 19 N -0.50 2.40 -0.14 0.00 0.52 -1.26 -1.02 118.95 118.94 8fab s ARG 19 Ca 0.16 -0.64 0.01 0.00 -0.52 0.00 0.00 55.73 54.73 8fab s ARG 19 Cb -0.13 -1.92 0.02 0.00 0.52 0.00 0.00 34.95 33.44 8fab s ARG 19 CO 0.05 0.04 -0.16 0.42 0.02 0.00 0.00 175.30 175.67 8fab s ILE 20 N 0.67 1.64 0.31 1.52 1.01 -0.38 -4.98 121.20 120.99 8fab s ILE 20 Ca -0.13 -0.70 -0.01 0.00 0.00 0.00 0.00 60.65 59.81 8fab s ILE 20 Cb -0.16 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 8fab s ILE 20 CO 0.03 0.47 0.53 0.42 0.00 0.00 0.00 174.94 176.39 8fab s THR 21 N 1.27 5.10 -0.10 2.92 -4.23 -1.26 -0.58 115.64 118.76 8fab s THR 21 Ca 0.01 -0.29 -0.05 0.00 -1.18 0.00 0.00 61.69 60.18 8fab s THR 21 Cb -0.14 -3.80 0.05 0.00 1.34 0.00 0.00 72.50 69.95 8fab s THR 21 CO -0.08 -0.43 0.23 0.00 -0.54 0.00 0.00 174.62 173.80 8fab s SER 23 N 1.51 1.48 -0.20 0.00 0.01 -0.62 -0.86 113.70 115.03 8fab s SER 23 Ca -0.07 -0.51 -0.30 0.00 1.31 0.00 0.00 55.95 56.39 8fab s SER 23 Cb -0.11 -0.06 0.15 0.00 0.21 0.00 0.00 66.02 66.20 8fab s SER 23 CO -0.08 -0.04 1.11 0.00 0.41 0.00 0.00 173.24 174.64 8fab s ALA 24 N -1.04 -1.99 0.28 1.44 0.00 -0.49 -0.58 121.76 119.38 8fab s ALA 24 Ca -0.01 1.67 0.24 0.00 0.00 0.00 0.00 51.96 53.86 8fab s ALA 24 Cb -0.09 -0.93 1.10 0.00 0.00 0.00 0.00 23.12 23.20 8fab s ALA 24 CO 0.01 -0.30 1.92 -0.91 0.00 0.00 0.00 175.76 176.48 8fab h ASN 25 N 2.39 0.00 0.61 0.00 2.35 -1.88 -2.65 115.58 116.40 8fab h ASN 25 Ca -0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 8fab h ASN 25 Cb 1.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.54 8fab h ASN 25 CO 0.28 0.21 -0.00 0.00 -1.65 0.00 0.00 177.43 176.27 8fab n ALA 26 N -2.28 2.47 0.20 -0.83 0.00 -1.26 -4.29 120.51 114.52 8fab n ALA 26 Ca -0.01 -0.14 0.06 0.00 0.00 0.00 0.00 53.44 53.35 8fab n ALA 26 Cb 0.36 -1.49 0.38 0.00 0.00 0.00 0.00 19.45 18.70 8fab n ALA 26 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 8fab h LEU 27 N 0.01 0.00 -1.57 0.00 5.85 -1.76 -1.10 115.31 116.74 8fab h LEU 27 Ca 0.00 0.00 0.34 0.00 0.84 0.00 0.00 57.88 59.06 8fab h LEU 27 Cb 0.31 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.25 8fab h LEU 27 CO 0.00 0.35 0.79 -0.65 -0.34 0.00 0.00 178.44 178.59 8fab h PRO 28 N 0.00 0.20 -0.71 5.25 0.11 -1.75 -1.43 132.00 133.67 8fab h PRO 28 Ca -0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.09 8fab h PRO 28 Cb 0.80 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.87 8fab h PRO 28 CO 0.05 0.13 0.00 0.09 -0.21 0.00 0.00 178.00 178.06 8fab n ASN 29 N -4.50 3.98 -4.18 -2.05 3.02 -0.42 -4.98 115.26 106.13 8fab n ASN 29 Ca 0.29 -2.04 -0.12 0.00 -0.03 0.00 0.00 54.58 52.68 8fab n ASN 29 Cb 1.14 -0.49 -0.10 0.00 -0.61 0.00 0.00 39.78 39.72 8fab n ASN 29 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 8fab s GLN 30 N -1.08 0.86 -0.03 3.52 -0.21 -0.54 -5.06 119.66 117.13 8fab s GLN 30 Ca 0.48 -1.30 -0.19 0.00 0.02 0.00 0.00 55.36 54.37 8fab s GLN 30 Cb 0.25 -0.33 -0.05 0.00 1.00 0.00 0.00 33.01 33.88 8fab s GLN 30 CO 0.32 0.02 0.53 0.71 -2.12 0.00 0.00 175.29 174.74 8fab s TYR 31 N -3.29 3.65 0.10 0.91 2.02 -1.26 -4.92 117.35 114.57 8fab s TYR 31 Ca 0.11 1.08 0.03 0.00 -0.37 0.00 0.00 57.07 57.92 8fab s TYR 31 Cb 0.03 -2.53 -0.04 0.00 -0.40 0.00 0.00 41.96 39.02 8fab s TYR 31 CO -0.03 0.37 0.12 0.00 -1.57 0.00 0.00 175.55 174.44 8fab s ALA 32 N -0.19 3.64 0.04 3.71 0.00 -1.26 -4.33 121.76 123.37 8fab s ALA 32 Ca 0.28 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 51.22 8fab s ALA 32 Cb -0.17 -1.48 -0.02 0.00 0.00 0.00 0.00 23.12 21.45 8fab s ALA 32 CO 0.15 0.68 -0.08 0.71 0.00 0.00 0.00 175.76 177.22 8fab s TYR 33 N -1.51 0.71 -0.01 0.00 1.51 -0.50 0.06 117.35 117.60 8fab s TYR 33 Ca 0.31 -0.48 0.06 0.00 -1.01 0.00 0.00 57.07 55.94 8fab s TYR 33 Cb -0.12 -0.42 -0.01 0.00 -0.11 0.00 0.00 41.96 41.30 8fab s TYR 33 CO 0.23 -0.07 -0.19 -1.58 -1.11 0.00 0.00 175.55 172.84 8fab s TRP 34 N -1.32 1.66 -0.01 2.71 0.52 -0.74 -1.13 118.94 120.63 8fab s TRP 34 Ca -0.09 -0.32 0.05 0.00 0.02 0.00 0.00 56.10 55.77 8fab s TRP 34 Cb -0.10 -1.06 -0.01 0.00 -1.15 0.00 0.00 33.47 31.15 8fab s TRP 34 CO 0.01 -0.02 -0.17 0.71 0.02 0.00 0.00 176.95 177.49 8fab s TYR 35 N -0.45 1.50 -0.18 -1.98 2.02 -0.24 -1.01 117.35 117.00 8fab s TYR 35 Ca 0.07 -0.29 -0.09 0.00 -0.37 0.00 0.00 57.07 56.39 8fab s TYR 35 Cb -0.07 -0.95 -0.05 0.00 -0.40 0.00 0.00 41.96 40.49 8fab s TYR 35 CO -0.01 -0.01 0.11 -1.14 -1.57 0.00 0.00 175.55 172.93 8fab s GLN 36 N -0.49 4.02 -0.15 -0.62 0.74 -0.20 -1.47 119.66 121.50 8fab s GLN 36 Ca 0.06 -0.25 -0.02 0.00 0.05 0.00 0.00 55.36 55.21 8fab s GLN 36 Cb -0.07 -3.32 0.04 0.00 1.10 0.00 0.00 33.01 30.77 8fab s GLN 36 CO -0.00 0.36 -0.01 -1.14 -0.55 0.00 0.00 175.29 173.95 8fab s GLN 37 N 0.17 0.92 0.43 1.67 0.74 0.26 -1.04 119.66 122.81 8fab s GLN 37 Ca 0.08 -0.32 -0.12 0.00 0.05 0.00 0.00 55.36 55.05 8fab s GLN 37 Cb -0.11 -1.78 -0.07 0.00 1.10 0.00 0.00 33.01 32.15 8fab s GLN 37 CO -0.01 -0.48 0.82 0.15 -0.55 0.00 0.00 175.29 175.23 8fab s LYS 38 N 1.81 3.83 0.15 1.67 1.02 -1.26 -1.56 119.74 125.39 8fab s LYS 38 Ca 0.01 0.60 -0.32 0.00 0.02 0.00 0.00 55.97 56.28 8fab s LYS 38 Cb -0.15 -2.33 -0.11 0.00 -0.52 0.00 0.00 37.83 34.72 8fab s LYS 38 CO -0.07 -0.09 1.80 -0.35 -0.92 0.00 0.00 175.35 175.72 8fab n PRO 39 N -1.34 2.77 0.00 -1.68 -0.04 -1.26 -1.38 135.00 132.06 8fab n PRO 39 Ca 0.03 1.00 0.00 0.00 -0.04 0.00 0.00 63.50 64.50 8fab n PRO 39 Cb 0.54 -2.88 0.00 0.00 -0.04 0.00 0.00 33.50 31.12 8fab n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 8fab n GLY 40 N 4.13 3.03 3.96 0.55 0.00 -1.26 -5.00 105.19 110.61 8fab n GLY 40 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 8fab n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 8fab s ARG 41 N -0.27 3.05 0.58 1.61 0.52 -0.48 -5.10 118.95 118.86 8fab s ARG 41 Ca 0.00 -0.62 -0.14 0.00 -0.52 0.00 0.00 55.73 54.44 8fab s ARG 41 Cb 0.00 -2.61 -0.05 0.00 0.52 0.00 0.00 34.95 32.81 8fab s ARG 41 CO 0.00 -0.22 1.02 0.00 0.02 0.00 0.00 175.30 176.12 8fab s ALA 42 N -2.48 2.96 0.71 2.13 0.00 -1.26 -4.55 121.76 119.27 8fab s ALA 42 Ca 0.48 0.15 -0.16 0.00 0.00 0.00 0.00 51.96 52.43 8fab s ALA 42 Cb -0.10 -3.14 0.02 0.00 0.00 0.00 0.00 23.12 19.90 8fab s ALA 42 CO 0.36 -0.58 1.18 -2.30 0.00 0.00 0.00 175.76 174.43 8fab n PRO 43 N -2.14 0.72 -4.76 0.00 -0.02 -1.26 -4.64 135.00 122.90 8fab n PRO 43 Ca 0.07 0.31 -0.25 0.00 -2.02 0.00 0.00 63.50 61.61 8fab n PRO 43 Cb 0.54 -2.42 -0.16 0.00 -0.02 0.00 0.00 33.50 31.44 8fab n PRO 43 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 8fab s VAL 44 N -1.68 1.30 -0.20 -1.45 1.01 -0.20 -4.95 120.40 114.23 8fab s VAL 44 Ca 0.78 -0.67 -0.29 0.00 0.00 0.00 0.00 61.98 61.80 8fab s VAL 44 Cb -0.35 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 8fab s VAL 44 CO 0.45 0.38 1.21 -0.32 0.00 0.00 0.00 175.10 176.82 8fab s MET 45 N -0.07 4.19 -0.00 2.72 1.75 -1.26 -1.03 119.30 125.59 8fab s MET 45 Ca -0.00 1.52 0.16 0.00 -1.25 0.00 0.00 55.69 56.11 8fab s MET 45 Cb -0.09 -3.75 -0.18 0.00 2.84 0.00 0.00 34.83 33.64 8fab s MET 45 CO 0.01 -0.75 0.61 1.33 -0.65 0.00 0.00 175.02 175.56 8fab n VAL 46 N 5.50 0.00 -3.73 10.11 0.24 -0.18 -4.80 118.33 125.47 8fab n VAL 46 Ca 0.14 -0.17 -0.12 0.00 -2.04 0.00 0.00 64.34 62.14 8fab n VAL 46 Cb 0.45 0.84 -0.12 0.00 -1.47 0.00 0.00 33.84 33.55 8fab n VAL 46 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 8fab s ILE 47 N -2.59 -0.02 -0.09 1.34 -1.09 -1.15 -4.31 121.20 113.28 8fab s ILE 47 Ca 0.04 0.09 0.03 0.00 -2.23 0.00 0.00 60.65 58.57 8fab s ILE 47 Cb 0.12 -0.49 -0.01 0.00 -1.58 0.00 0.00 42.46 40.50 8fab s ILE 47 CO 0.65 0.03 -0.19 -0.47 -1.23 0.00 0.00 174.94 173.73 8fab s TYR 48 N 0.99 2.63 -0.95 3.97 5.04 0.08 -1.79 117.35 127.32 8fab s TYR 48 Ca -0.07 -0.71 -0.11 0.00 -2.44 0.00 0.00 57.07 53.74 8fab s TYR 48 Cb -0.07 -1.72 0.00 0.00 0.35 0.00 0.00 41.96 40.52 8fab s TYR 48 CO -0.07 -0.22 0.69 1.63 -1.34 0.00 0.00 175.55 176.24 8fab n LYS 49 N 3.22 -1.24 0.00 4.97 5.02 -1.14 -1.70 118.16 127.29 8fab n LYS 49 Ca -0.18 0.73 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 8fab n LYS 49 Cb 0.53 -3.61 0.00 0.00 -0.02 0.00 0.00 35.03 31.93 8fab n LYS 49 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 8fab n ASP 50 N -2.41 0.00 0.00 4.39 8.00 0.11 -3.87 116.55 122.76 8fab n ASP 50 Ca -0.16 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.34 8fab n ASP 50 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 8fab n ASP 50 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 8fab n THR 51 N 0.00 0.00 -3.54 -3.53 -2.24 -1.24 -4.34 114.28 99.40 8fab n THR 51 Ca 0.00 -0.02 -0.37 0.00 -2.27 0.00 0.00 64.05 61.38 8fab n THR 51 Cb 0.00 1.95 -0.06 0.00 -2.10 0.00 0.00 70.33 70.11 8fab n THR 51 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 8fab s GLN 52 N -0.00 4.06 -0.22 -0.78 0.74 -0.69 -4.57 119.66 118.20 8fab s GLN 52 Ca 0.00 0.21 -0.16 0.00 0.05 0.00 0.00 55.36 55.46 8fab s GLN 52 Cb 0.00 -3.34 -0.04 0.00 1.10 0.00 0.00 33.01 30.74 8fab s GLN 52 CO 0.00 0.43 0.40 0.50 -0.55 0.00 0.00 175.29 176.08 8fab s ARG 53 N -0.16 4.13 0.76 1.67 3.52 -1.26 -0.74 118.95 126.87 8fab s ARG 53 Ca 0.20 0.18 -0.14 0.00 -0.13 0.00 0.00 55.73 55.83 8fab s ARG 53 Cb -0.14 -3.57 0.06 0.00 -1.56 0.00 0.00 34.95 29.73 8fab s ARG 53 CO 0.08 -0.12 1.22 -2.14 -0.81 0.00 0.00 175.30 173.53 8fab s PRO 54 N 1.56 1.91 0.20 5.12 0.02 -1.26 -4.94 135.00 137.61 8fab s PRO 54 Ca 0.18 1.81 -0.30 0.00 0.02 0.00 0.00 61.00 62.71 8fab s PRO 54 Cb -0.15 -1.80 -0.09 0.00 0.02 0.00 0.00 34.50 32.48 8fab s PRO 54 CO 0.08 -2.02 1.41 -1.12 -0.33 0.00 0.00 177.00 175.02 8fab s SER 55 N -1.99 6.75 0.00 2.53 0.01 -1.26 -2.54 113.70 117.19 8fab s SER 55 Ca 0.75 2.52 0.00 0.00 1.31 0.00 0.00 55.95 60.53 8fab s SER 55 Cb -0.30 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.32 8fab s SER 55 CO 0.47 -0.66 0.00 0.61 0.41 0.00 0.00 173.24 174.08 8fab n GLY 56 N 2.67 2.57 3.75 3.44 0.00 -1.26 -5.07 105.19 111.29 8fab n GLY 56 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 8fab n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 8fab s ILE 57 N -2.33 5.18 0.31 -0.61 -1.09 -1.05 -5.03 121.20 116.58 8fab s ILE 57 Ca 0.00 0.83 -0.26 0.00 -2.23 0.00 0.00 60.65 58.99 8fab s ILE 57 Cb 0.00 -3.75 -0.15 0.00 -1.58 0.00 0.00 42.46 36.99 8fab s ILE 57 CO 0.00 0.40 0.64 -2.65 -1.23 0.00 0.00 174.94 172.10 8fab n PRO 58 N 3.25 0.59 0.00 2.79 -0.02 -1.26 -4.89 135.00 135.46 8fab n PRO 58 Ca -0.10 0.21 0.05 0.00 -2.02 0.00 0.00 63.50 61.64 8fab n PRO 58 Cb 0.52 -1.41 0.24 0.00 -0.02 0.00 0.00 33.50 32.82 8fab n PRO 58 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 8fab n GLN 59 N 0.81 0.08 0.05 -0.52 10.64 -1.26 -2.37 117.38 124.81 8fab n GLN 59 Ca 0.13 0.25 0.12 0.00 -1.83 0.00 0.00 57.00 55.67 8fab n GLN 59 Cb 0.33 -1.50 0.49 0.00 -0.86 0.00 0.00 30.24 28.69 8fab n GLN 59 CO 0.00 0.00 0.00 2.89 -1.83 0.00 0.00 177.06 178.12 8fab n ARG 60 N -1.38 0.10 -3.23 2.61 1.85 -1.26 -4.72 116.66 110.63 8fab n ARG 60 Ca 0.04 0.16 -0.39 0.00 -1.00 0.00 0.00 57.85 56.66 8fab n ARG 60 Cb 0.10 -1.63 -0.06 0.00 -1.05 0.00 0.00 32.46 29.82 8fab n ARG 60 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 8fab s PHE 61 N -3.07 3.55 0.17 2.89 0.40 -1.00 -1.56 117.98 119.37 8fab s PHE 61 Ca 0.10 1.03 -0.09 0.00 -0.60 0.00 0.00 56.93 57.38 8fab s PHE 61 Cb 0.14 -2.63 -0.01 0.00 0.51 0.00 0.00 43.02 41.03 8fab s PHE 61 CO 0.48 0.17 0.29 -1.54 0.70 0.00 0.00 175.22 175.33 8fab s SER 62 N 0.57 0.03 0.00 1.36 1.04 -0.29 -4.97 113.70 111.45 8fab s SER 62 Ca 0.30 -0.91 -0.04 0.00 0.48 0.00 0.00 55.95 55.78 8fab s SER 62 Cb -0.16 0.45 -0.00 0.00 0.10 0.00 0.00 66.02 66.40 8fab s SER 62 CO 0.13 -0.92 0.07 -0.55 0.98 0.00 0.00 173.24 172.96 8fab s SER 63 N -2.98 0.08 0.11 7.02 0.15 -1.26 -0.80 113.70 116.01 8fab s SER 63 Ca 0.19 -0.24 -0.01 0.00 0.70 0.00 0.00 55.95 56.59 8fab s SER 63 Cb 0.03 0.17 -0.04 0.00 -1.71 0.00 0.00 66.02 64.47 8fab s SER 63 CO 0.02 -0.29 0.03 -0.94 1.20 0.00 0.00 173.24 173.26 8fab s SER 64 N -1.16 0.39 -0.06 5.45 1.04 -0.78 -4.54 113.70 114.05 8fab s SER 64 Ca -0.13 -1.15 0.02 0.00 0.48 0.00 0.00 55.95 55.18 8fab s SER 64 Cb -0.07 0.26 -0.03 0.00 0.10 0.00 0.00 66.02 66.29 8fab s SER 64 CO 0.00 -0.69 -0.12 -0.89 0.98 0.00 0.00 173.24 172.53 8fab s THR 65 N -4.00 3.27 -0.34 2.02 2.01 -1.26 -0.77 115.64 116.58 8fab s THR 65 Ca 0.20 -0.64 0.01 0.00 0.31 0.00 0.00 61.69 61.57 8fab s THR 65 Cb 0.08 -2.31 0.14 0.00 0.01 0.00 0.00 72.50 70.42 8fab s THR 65 CO -0.01 0.59 0.32 -0.44 -0.69 0.00 0.00 174.62 174.38 8fab s SER 66 N -0.69 1.66 1.02 3.53 0.01 0.70 -4.99 113.70 114.94 8fab s SER 66 Ca 0.10 -1.37 0.00 0.00 1.31 0.00 0.00 55.95 55.99 8fab s SER 66 Cb -0.11 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.50 8fab s SER 66 CO 0.01 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 173.95 8fab n GLY 67 N 4.61 1.66 1.18 3.44 0.00 -1.26 -2.25 105.19 112.57 8fab n GLY 67 Ca 0.06 -0.53 0.08 0.00 0.00 0.00 0.00 46.02 45.63 8fab n GLY 67 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 8fab n THR 68 N 0.00 1.09 -4.84 2.61 -2.24 -1.26 -4.17 114.28 105.46 8fab n THR 68 Ca 0.00 -0.84 -0.27 0.00 -2.27 0.00 0.00 64.05 60.67 8fab n THR 68 Cb 0.00 0.21 -0.17 0.00 -2.10 0.00 0.00 70.33 68.27 8fab n THR 68 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 8fab s THR 69 N -1.51 1.48 -0.04 4.28 2.01 -0.95 -1.39 115.64 119.52 8fab s THR 69 Ca 0.39 -0.70 0.04 0.00 0.31 0.00 0.00 61.69 61.73 8fab s THR 69 Cb 0.23 -1.31 -0.03 0.00 0.01 0.00 0.00 72.50 71.40 8fab s THR 69 CO 0.23 0.43 -0.15 0.54 -0.69 0.00 0.00 174.62 174.98 8fab s VAL 70 N 0.40 2.99 -0.12 3.82 0.11 -0.04 -0.21 120.40 127.34 8fab s VAL 70 Ca -0.13 -0.78 0.03 0.00 -2.93 0.00 0.00 61.98 58.17 8fab s VAL 70 Cb -0.15 -2.17 0.00 0.00 -1.53 0.00 0.00 36.38 32.53 8fab s VAL 70 CO 0.05 0.57 -0.22 -0.89 -3.33 0.00 0.00 175.10 171.27 8fab s THR 71 N -0.75 2.15 -0.16 5.04 2.01 0.05 -1.38 115.64 122.60 8fab s THR 71 Ca 0.12 -0.97 -0.20 0.00 0.31 0.00 0.00 61.69 60.94 8fab s THR 71 Cb -0.11 -1.84 -0.03 0.00 0.01 0.00 0.00 72.50 70.53 8fab s THR 71 CO 0.01 0.55 0.58 -0.22 -0.69 0.00 0.00 174.62 174.85 8fab s LEU 72 N 0.53 4.20 -0.11 4.42 2.96 0.26 -1.86 118.68 129.07 8fab s LEU 72 Ca -0.14 0.84 0.02 0.00 -0.22 0.00 0.00 54.13 54.63 8fab s LEU 72 Cb -0.17 -2.82 -0.01 0.00 0.50 0.00 0.00 46.19 43.69 8fab s LEU 72 CO 0.05 -0.17 -0.18 -0.89 -1.32 0.00 0.00 176.35 173.84 8fab s THR 73 N 1.40 2.64 -0.31 3.68 2.01 0.02 -1.25 115.64 123.83 8fab s THR 73 Ca 0.28 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.50 8fab s THR 73 Cb -0.16 -2.07 0.08 0.00 0.01 0.00 0.00 72.50 70.37 8fab s THR 73 CO 0.11 0.54 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.94 8fab s ILE 74 N 0.29 2.27 0.29 1.82 1.01 -0.19 -1.13 121.20 125.55 8fab s ILE 74 Ca -0.13 -2.03 -0.29 0.00 0.00 0.00 0.00 60.65 58.20 8fab s ILE 74 Cb -0.16 -2.54 -0.10 0.00 0.01 0.00 0.00 42.46 39.67 8fab s ILE 74 CO 0.07 -0.36 1.24 -0.44 0.00 0.00 0.00 174.94 175.45 8fab s SER 75 N 1.01 6.95 -1.23 3.58 0.01 -0.60 -1.00 113.70 122.41 8fab s SER 75 Ca 0.02 2.51 -0.04 0.00 1.31 0.00 0.00 55.95 59.75 8fab s SER 75 Cb -0.20 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.39 8fab s SER 75 CO -0.07 -0.41 0.78 0.61 0.41 0.00 0.00 173.24 174.56 8fab n GLY 76 N 1.22 -0.53 3.63 3.44 0.00 -1.16 -4.83 105.19 106.96 8fab n GLY 76 Ca 0.01 0.24 -0.45 0.00 0.00 0.00 0.00 46.02 45.82 8fab n GLY 76 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 8fab n VAL 77 N -4.09 1.61 -4.20 1.61 0.31 -0.32 -4.50 118.33 108.75 8fab n VAL 77 Ca -0.24 -0.40 -0.23 0.00 -0.01 0.00 0.00 64.34 63.46 8fab n VAL 77 Cb 0.66 -1.22 -0.07 0.00 -0.91 0.00 0.00 33.84 32.30 8fab n VAL 77 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 8fab s GLN 78 N -1.21 2.35 0.44 5.55 -0.21 -1.26 -0.85 119.66 124.46 8fab s GLN 78 Ca 0.62 -1.47 0.15 0.00 0.02 0.00 0.00 55.36 54.68 8fab s GLN 78 Cb -0.68 -2.18 1.06 0.00 1.00 0.00 0.00 33.01 32.22 8fab s GLN 78 CO 0.57 0.24 1.96 0.00 -2.12 0.00 0.00 175.29 175.94 8fab h ALA 79 N 1.71 2.09 0.00 6.09 0.00 -1.95 -1.28 119.26 125.92 8fab h ALA 79 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 8fab h ALA 79 Cb 1.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.97 8fab h ALA 79 CO 0.62 -0.26 0.00 -0.85 0.00 0.00 0.00 179.25 178.76 8fab n GLU 80 N -4.47 0.10 0.00 0.00 0.28 -1.26 -2.13 120.64 113.17 8fab n GLU 80 Ca 0.12 0.14 0.14 0.00 -0.16 0.00 0.00 57.16 57.39 8fab n GLU 80 Cb 0.45 -1.50 0.53 0.00 1.43 0.00 0.00 31.44 32.35 8fab n GLU 80 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 8fab n ASP 81 N -1.43 0.40 -4.70 -1.84 8.00 -0.48 -4.86 116.55 111.64 8fab n ASP 81 Ca 0.06 -0.30 -0.42 0.00 0.71 0.00 0.00 54.79 54.84 8fab n ASP 81 Cb 0.20 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.19 8fab n ASP 81 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 8fab s GLU 82 N -2.69 4.21 -0.10 -1.24 2.12 -0.90 -4.90 118.70 115.19 8fab s GLU 82 Ca 0.22 2.34 -0.32 0.00 0.36 0.00 0.00 54.97 57.57 8fab s GLU 82 Cb 0.19 -3.42 0.12 0.00 0.26 0.00 0.00 34.13 31.28 8fab s GLU 82 CO 0.53 -0.68 1.40 0.00 -0.54 0.00 0.00 175.26 175.98 8fab s ALA 83 N 2.03 -2.72 -0.06 6.30 0.00 -1.19 -4.85 121.76 121.26 8fab s ALA 83 Ca 0.72 0.45 -0.13 0.00 0.00 0.00 0.00 51.96 53.00 8fab s ALA 83 Cb -0.41 0.71 -0.05 0.00 0.00 0.00 0.00 23.12 23.36 8fab s ALA 83 CO 0.32 -1.14 0.34 -0.51 0.00 0.00 0.00 175.76 174.77 8fab s ASP 84 N -3.64 6.66 -0.07 0.00 1.01 -0.60 -0.46 116.67 119.57 8fab s ASP 84 Ca 0.26 0.78 0.05 0.00 0.71 0.00 0.00 52.55 54.35 8fab s ASP 84 Cb 0.03 -2.21 -0.01 0.00 1.01 0.00 0.00 42.92 41.74 8fab s ASP 84 CO -0.04 0.28 -0.22 -0.31 0.21 0.00 0.00 175.17 175.08 8fab s TYR 85 N -0.66 2.54 -0.12 4.23 1.51 -0.05 -0.58 117.35 124.22 8fab s TYR 85 Ca 0.21 -0.69 0.03 0.00 -1.01 0.00 0.00 57.07 55.61 8fab s TYR 85 Cb -0.15 -1.65 0.01 0.00 -0.11 0.00 0.00 41.96 40.05 8fab s TYR 85 CO 0.10 -0.19 -0.22 0.71 -1.11 0.00 0.00 175.55 174.83 8fab s TYR 86 N -0.09 2.58 0.46 2.71 2.02 -0.54 -0.50 117.35 123.98 8fab s TYR 86 Ca -0.05 -1.20 -0.02 0.00 -0.37 0.00 0.00 57.07 55.43 8fab s TYR 86 Cb -0.14 -1.74 -0.02 0.00 -0.40 0.00 0.00 41.96 39.65 8fab s TYR 86 CO 0.04 -0.53 0.71 0.00 -1.57 0.00 0.00 175.55 174.21 8fab s GLN 88 N -4.62 0.60 0.00 0.00 -0.44 -0.29 -1.26 119.66 113.65 8fab s GLN 88 Ca 0.47 -0.03 0.00 0.00 -2.50 0.00 0.00 55.36 53.30 8fab s GLN 88 Cb -0.10 0.27 0.00 0.00 -1.64 0.00 0.00 33.01 31.54 8fab s GLN 88 CO 0.41 -0.15 0.00 0.00 0.50 0.00 0.00 175.29 176.05 8fab n ALA 89 N 1.67 0.00 0.00 1.58 0.00 -0.00 -1.41 120.51 122.35 8fab n ALA 89 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 8fab n ALA 89 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 8fab n ALA 89 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 8fab n TRP 90 N 0.00 0.00 -4.13 0.00 4.27 -1.26 -0.95 117.44 115.37 8fab n TRP 90 Ca 0.00 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.47 8fab n TRP 90 Cb 0.00 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 29.90 8fab n TRP 90 CO 0.00 0.00 0.00 -0.40 -2.29 0.00 0.00 177.69 175.00 8fab n ASP 91 N 2.41 -0.70 0.07 -0.67 5.75 -1.07 -4.68 116.55 117.67 8fab n ASP 91 Ca 0.00 -2.60 0.00 0.00 -0.01 0.00 0.00 54.79 52.18 8fab n ASP 91 Cb 0.00 1.49 0.00 0.00 -1.03 0.00 0.00 41.12 41.58 8fab n ASP 91 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 8fab n ASN 92 N -1.92 0.00 0.00 -1.12 0.23 -1.26 -2.05 115.26 109.14 8fab n ASN 92 Ca 0.04 0.11 0.00 0.00 -0.53 0.00 0.00 54.58 54.20 8fab n ASN 92 Cb 0.46 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 8fab n ASN 92 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 8fab n SER 93 N -1.31 1.12 -3.54 0.53 3.41 -1.26 -5.12 113.62 107.45 8fab n SER 93 Ca -0.00 -0.13 -0.16 0.00 -0.26 0.00 0.00 58.87 58.32 8fab n SER 93 Cb 0.59 0.49 -0.06 0.00 -0.26 0.00 0.00 64.21 64.97 8fab n SER 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 8fab s ALA 94 N -0.71 -1.58 -0.12 7.33 0.00 -0.87 -5.15 121.76 120.67 8fab s ALA 94 Ca 0.00 1.02 -0.06 0.00 0.00 0.00 0.00 51.96 52.91 8fab s ALA 94 Cb 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 8fab s ALA 94 CO 0.00 -0.42 0.12 -1.12 0.00 0.00 0.00 175.76 174.34 8fab s SER 95 N -1.49 6.26 0.01 0.00 0.01 -1.26 -2.60 113.70 114.63 8fab s SER 95 Ca -0.09 0.43 0.08 0.00 1.31 0.00 0.00 55.95 57.68 8fab s SER 95 Cb -0.01 -2.00 -0.02 0.00 0.21 0.00 0.00 66.02 64.20 8fab s SER 95 CO 0.05 0.41 -0.23 -0.63 0.41 0.00 0.00 173.24 173.25 8fab s ILE 96 N -1.01 1.85 0.14 1.44 1.09 -0.13 -4.97 121.20 119.61 8fab s ILE 96 Ca 0.15 -1.13 0.11 0.00 -1.10 0.00 0.00 60.65 58.67 8fab s ILE 96 Cb -0.12 -1.57 -0.04 0.00 -1.06 0.00 0.00 42.46 39.67 8fab s ILE 96 CO 0.04 0.40 -0.26 -0.36 -0.10 0.00 0.00 174.94 174.66 8fab s PHE 97 N -0.67 2.31 0.92 3.97 0.40 -1.26 -0.82 117.98 122.83 8fab s PHE 97 Ca 0.09 -0.37 -0.14 0.00 -0.60 0.00 0.00 56.93 55.91 8fab s PHE 97 Cb -0.09 -1.23 0.15 0.00 0.51 0.00 0.00 43.02 42.37 8fab s PHE 97 CO 0.00 0.38 1.22 0.20 0.70 0.00 0.00 175.22 177.72 8fab s GLY 98 N -2.19 1.66 0.33 4.36 0.00 -0.39 -4.40 107.32 106.68 8fab s GLY 98 Ca 0.16 -0.86 0.26 0.00 0.00 0.00 0.00 44.72 44.28 8fab s GLY 98 CO 0.07 -0.21 1.77 -1.33 0.00 0.00 0.00 173.10 173.40 8fab h GLY 99 N -1.50 0.00 0.00 0.20 0.00 -1.89 -3.44 103.07 96.44 8fab h GLY 99 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 8fab h GLY 99 CO 0.52 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.67 8fab n GLY 100 N 0.49 2.37 3.09 4.60 0.00 -1.26 -5.05 105.19 109.43 8fab n GLY 100 Ca 0.03 -1.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.11 8fab n GLY 100 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 8fab s THR 101 N -1.41 1.73 -0.31 2.61 2.01 0.34 -4.48 115.64 116.13 8fab s THR 101 Ca 0.00 -0.77 -0.29 0.00 0.31 0.00 0.00 61.69 60.94 8fab s THR 101 Cb 0.00 -1.57 0.02 0.00 0.01 0.00 0.00 72.50 70.96 8fab s THR 101 CO 0.00 0.49 1.07 -0.75 -0.69 0.00 0.00 174.62 174.73 8fab s LYS 102 N 1.06 4.09 -0.22 4.92 2.47 -0.36 -0.87 119.74 130.81 8fab s LYS 102 Ca -0.03 1.10 -0.13 0.00 -1.56 0.00 0.00 55.97 55.34 8fab s LYS 102 Cb -0.14 -3.73 -0.04 0.00 -1.46 0.00 0.00 37.83 32.46 8fab s LYS 102 CO -0.04 -0.87 0.29 -1.17 0.16 0.00 0.00 175.35 173.72 8fab s LEU 103 N 3.60 4.13 -0.13 5.43 2.96 0.39 -1.39 118.68 133.67 8fab s LEU 103 Ca 0.45 0.32 -0.00 0.00 -0.22 0.00 0.00 54.13 54.68 8fab s LEU 103 Cb -0.12 -2.33 -0.02 0.00 0.50 0.00 0.00 46.19 44.22 8fab s LEU 103 CO 0.14 -0.02 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.14 8fab s THR 104 N 1.27 3.19 -0.41 3.68 2.01 -0.57 -3.20 115.64 121.60 8fab s THR 104 Ca 0.14 -0.62 -0.16 0.00 0.31 0.00 0.00 61.69 61.35 8fab s THR 104 Cb -0.14 -2.34 0.02 0.00 0.01 0.00 0.00 72.50 70.04 8fab s THR 104 CO 0.07 0.52 0.39 -0.69 -0.69 0.00 0.00 174.62 174.22 8fab s VAL 105 N 0.28 5.14 0.06 3.82 1.01 -1.26 -1.27 120.40 128.18 8fab s VAL 105 Ca -0.09 -0.42 -0.31 0.00 0.00 0.00 0.00 61.98 61.16 8fab s VAL 105 Cb -0.15 -4.00 -0.10 0.00 0.00 0.00 0.00 36.38 32.13 8fab s VAL 105 CO 0.05 -0.37 1.90 0.18 0.00 0.00 0.00 175.10 176.86 8fab n LEU 106 N 5.46 4.01 -0.21 3.92 4.77 0.90 -4.88 117.00 130.97 8fab n LEU 106 Ca -0.08 0.95 0.03 0.00 -0.03 0.00 0.00 56.01 56.87 8fab n LEU 106 Cb 0.47 -1.51 0.02 0.00 -2.33 0.00 0.00 43.42 40.07 8fab n LEU 106 CO 0.44 0.15 0.34 0.61 -1.33 0.00 0.00 177.39 177.61 8fab n GLY 107 N 4.39 -0.77 3.79 -0.72 0.00 -1.26 -4.44 105.19 106.17 8fab n GLY 107 Ca 0.19 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 8fab n GLY 107 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 8fab s GLN 108 N -0.45 1.92 0.63 1.61 -2.07 -1.26 -5.16 119.66 114.88 8fab s GLN 108 Ca 0.06 -1.21 -0.16 0.00 -1.82 0.00 0.00 55.36 52.23 8fab s GLN 108 Cb 0.04 0.59 -0.02 0.00 -1.09 0.00 0.00 33.01 32.54 8fab s GLN 108 CO 0.06 -0.88 1.10 -2.14 -1.32 0.00 0.00 175.29 172.12 8fab s PRO 109 N -3.34 2.99 0.43 9.60 0.02 -1.26 -4.99 135.00 138.44 8fab s PRO 109 Ca 0.15 1.38 -0.26 0.00 0.02 0.00 0.00 61.00 62.29 8fab s PRO 109 Cb -0.05 -1.98 -0.09 0.00 0.02 0.00 0.00 34.50 32.41 8fab s PRO 109 CO 0.09 -1.10 1.38 0.15 -0.33 0.00 0.00 177.00 177.20 8fab s LYS 110 N -3.97 3.84 -0.04 5.54 1.02 -1.26 -4.84 119.74 120.02 8fab s LYS 110 Ca 0.67 2.32 -0.01 0.00 0.02 0.00 0.00 55.97 58.97 8fab s LYS 110 Cb -0.20 -2.72 0.03 0.00 -0.52 0.00 0.00 37.83 34.41 8fab s LYS 110 CO 0.38 -0.66 0.02 0.00 -0.92 0.00 0.00 175.35 174.17 8fab s ALA 111 N -1.22 0.34 0.50 5.17 0.00 -0.64 -4.96 121.76 120.95 8fab s ALA 111 Ca 0.59 0.13 -0.21 0.00 0.00 0.00 0.00 51.96 52.46 8fab s ALA 111 Cb -0.42 -0.47 -0.06 0.00 0.00 0.00 0.00 23.12 22.17 8fab s ALA 111 CO 0.54 -0.26 1.17 0.00 0.00 0.00 0.00 175.76 177.21 8fab s ALA 112 N 1.50 2.84 0.62 0.00 0.00 -1.26 -1.96 121.76 123.50 8fab s ALA 112 Ca -0.03 0.92 -0.17 0.00 0.00 0.00 0.00 51.96 52.68 8fab s ALA 112 Cb -0.13 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.58 8fab s ALA 112 CO -0.03 -0.77 1.16 -1.25 0.00 0.00 0.00 175.76 174.87 8fab s PRO 113 N -2.96 2.89 -0.19 0.00 0.04 -1.26 -4.46 135.00 129.05 8fab s PRO 113 Ca 0.68 1.63 -0.07 0.00 0.04 0.00 0.00 61.00 63.28 8fab s PRO 113 Cb -0.28 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 8fab s PRO 113 CO 0.32 -1.23 0.06 -1.12 0.04 0.00 0.00 177.00 175.08 8fab s SER 114 N -2.00 5.56 -0.13 6.66 0.01 0.29 -4.93 113.70 119.15 8fab s SER 114 Ca 0.73 0.03 0.01 0.00 1.31 0.00 0.00 55.95 58.03 8fab s SER 114 Cb -0.26 -1.96 -0.01 0.00 0.21 0.00 0.00 66.02 64.01 8fab s SER 114 CO 0.36 0.14 -0.16 -0.69 0.41 0.00 0.00 173.24 173.30 8fab s VAL 115 N 0.58 2.77 -0.07 3.43 1.01 -1.26 -0.94 120.40 125.92 8fab s VAL 115 Ca 0.03 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.30 8fab s VAL 115 Cb -0.13 -2.14 -0.00 0.00 0.00 0.00 0.00 36.38 34.10 8fab s VAL 115 CO 0.01 0.53 -0.20 -0.89 0.00 0.00 0.00 175.10 174.55 8fab s THR 116 N 0.44 1.70 -0.10 3.92 2.01 0.05 -4.96 115.64 118.70 8fab s THR 116 Ca -0.11 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.07 8fab s THR 116 Cb -0.16 -1.47 0.00 0.00 0.01 0.00 0.00 72.50 70.88 8fab s THR 116 CO 0.05 0.48 -0.21 -0.22 -0.69 0.00 0.00 174.62 174.03 8fab s LEU 117 N 0.17 2.00 -0.13 4.42 2.96 -1.26 -0.53 118.68 126.31 8fab s LEU 117 Ca -0.10 -0.52 -0.02 0.00 -0.22 0.00 0.00 54.13 53.28 8fab s LEU 117 Cb -0.15 -1.31 -0.02 0.00 0.50 0.00 0.00 46.19 45.22 8fab s LEU 117 CO 0.05 0.12 -0.09 -0.36 -1.32 0.00 0.00 176.35 174.75 8fab s PHE 118 N 0.50 2.91 0.92 5.38 0.08 -0.18 -4.98 117.98 122.62 8fab s PHE 118 Ca -0.16 -0.43 -0.12 0.00 0.12 0.00 0.00 56.93 56.34 8fab s PHE 118 Cb -0.17 -1.88 0.14 0.00 -0.57 0.00 0.00 43.02 40.54 8fab s PHE 118 CO 0.06 -0.09 1.10 -1.25 -0.10 0.00 0.00 175.22 174.94 8fab s PRO 119 N 0.25 1.03 0.38 0.24 0.04 -1.26 -1.88 135.00 133.80 8fab s PRO 119 Ca -0.06 0.63 -0.27 0.00 0.04 0.00 0.00 61.00 61.34 8fab s PRO 119 Cb -0.15 -1.80 -0.10 0.00 0.04 0.00 0.00 34.50 32.50 8fab s PRO 119 CO 0.04 -2.35 1.36 -1.25 0.04 0.00 0.00 177.00 174.85 8fab s PRO 120 N -5.01 4.08 0.80 0.56 0.04 -1.22 -4.81 135.00 129.43 8fab s PRO 120 Ca 0.64 2.31 -0.11 0.00 0.04 0.00 0.00 61.00 63.88 8fab s PRO 120 Cb -0.17 -2.89 0.07 0.00 0.04 0.00 0.00 34.50 31.55 8fab s PRO 120 CO 0.56 -0.45 1.09 -1.54 0.04 0.00 0.00 177.00 176.70 8fab s SER 121 N -0.49 4.40 0.18 6.66 1.04 -1.26 -4.91 113.70 119.33 8fab s SER 121 Ca 0.54 1.54 -0.13 0.00 0.48 0.00 0.00 55.95 58.39 8fab s SER 121 Cb -0.41 -2.29 0.15 0.00 0.10 0.00 0.00 66.02 63.57 8fab s SER 121 CO 0.55 -2.06 1.78 0.77 0.98 0.00 0.00 173.24 175.26 8fab h SER 122 N -1.15 0.35 -0.32 7.02 4.64 -1.99 -1.91 113.55 120.20 8fab h SER 122 Ca -0.46 0.03 0.07 0.00 -0.47 0.00 0.00 61.79 60.96 8fab h SER 122 Cb 1.25 -0.03 -0.08 0.00 -0.31 0.00 0.00 62.40 63.23 8fab h SER 122 CO 0.56 0.24 -0.29 -0.33 -0.87 0.00 0.00 176.83 176.14 8fab h GLU 123 N 0.49 -0.25 -0.27 4.77 3.07 -1.98 0.11 114.58 120.51 8fab h GLU 123 Ca 0.23 0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.10 8fab h GLU 123 Cb 0.15 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 8fab h GLU 123 CO -0.17 -0.17 0.14 1.49 -1.40 0.00 0.00 179.01 178.90 8fab h GLU 124 N -0.26 0.39 -0.35 2.33 4.81 -1.81 -1.93 114.58 117.76 8fab h GLU 124 Ca 0.16 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 8fab h GLU 124 Cb 0.51 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 8fab h GLU 124 CO -0.47 0.38 0.19 -0.07 -0.73 0.00 0.00 179.01 178.31 8fab h LEU 125 N 0.31 0.42 -2.27 1.64 3.38 -1.02 0.16 115.31 117.93 8fab h LEU 125 Ca 0.09 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 8fab h LEU 125 Cb 0.11 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 8fab h LEU 125 CO -0.01 0.34 -0.05 1.56 0.09 0.00 0.00 178.44 180.37 8fab h GLN 126 N 0.48 0.00 -0.47 1.13 4.20 -0.01 0.46 115.11 120.90 8fab h GLN 126 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 8fab h GLN 126 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 8fab h GLN 126 CO -0.02 0.05 0.00 0.00 -0.67 0.00 0.00 178.83 178.19 8fab n ALA 127 N -2.30 2.64 -3.66 3.87 0.00 0.54 -4.90 120.51 116.71 8fab n ALA 127 Ca -0.03 -0.69 -0.22 0.00 0.00 0.00 0.00 53.44 52.51 8fab n ALA 127 Cb 0.14 -1.00 0.05 0.00 0.00 0.00 0.00 19.45 18.64 8fab n ALA 127 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 8fab n ASN 128 N 0.45 -2.22 -3.93 0.00 5.15 0.15 -5.01 115.26 109.85 8fab n ASN 128 Ca 0.12 -0.75 -0.09 0.00 -0.60 0.00 0.00 54.58 53.26 8fab n ASN 128 Cb 0.40 -4.37 -0.09 0.00 -0.53 0.00 0.00 39.78 35.19 8fab n ASN 128 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 8fab s LYS 129 N -5.94 0.57 -0.18 1.20 -0.14 -1.01 -4.62 119.74 109.63 8fab s LYS 129 Ca 0.13 -0.75 -0.07 0.00 -1.36 0.00 0.00 55.97 53.91 8fab s LYS 129 Cb -0.06 0.22 0.08 0.00 -1.68 0.00 0.00 37.83 36.39 8fab s LYS 129 CO 0.79 -0.14 0.40 0.00 -0.76 0.00 0.00 175.35 175.63 8fab s ALA 130 N -2.57 -1.04 -0.10 5.17 0.00 -1.10 -2.58 121.76 119.53 8fab s ALA 130 Ca -0.05 1.44 0.01 0.00 0.00 0.00 0.00 51.96 53.36 8fab s ALA 130 Cb -0.01 -1.13 0.02 0.00 0.00 0.00 0.00 23.12 21.99 8fab s ALA 130 CO -0.04 -0.55 -0.13 0.99 0.00 0.00 0.00 175.76 176.03 8fab s THR 131 N 2.11 1.32 -0.13 0.00 2.01 -1.26 -0.77 115.64 118.92 8fab s THR 131 Ca -0.05 -0.53 -0.11 0.00 0.31 0.00 0.00 61.69 61.32 8fab s THR 131 Cb -0.11 -1.24 -0.05 0.00 0.01 0.00 0.00 72.50 71.12 8fab s THR 131 CO -0.12 0.41 0.23 -0.76 -0.69 0.00 0.00 174.62 173.68 8fab s LEU 132 N 1.12 4.33 -0.16 4.42 1.02 0.26 -3.45 118.68 126.22 8fab s LEU 132 Ca -0.05 0.51 -0.01 0.00 0.02 0.00 0.00 54.13 54.60 8fab s LEU 132 Cb -0.14 -2.25 -0.01 0.00 0.02 0.00 0.00 46.19 43.81 8fab s LEU 132 CO -0.03 0.26 -0.10 -0.69 0.02 0.00 0.00 176.35 175.81 8fab s VAL 133 N -0.33 3.14 -0.23 -1.59 1.01 -0.79 -1.85 120.40 119.76 8fab s VAL 133 Ca 0.15 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 8fab s VAL 133 Cb -0.13 -2.36 -0.00 0.00 0.00 0.00 0.00 36.38 33.89 8fab s VAL 133 CO 0.04 0.49 -0.04 0.00 0.00 0.00 0.00 175.10 175.60 8fab s LEU 135 N 1.46 2.65 -0.19 0.00 1.43 0.31 -1.45 118.68 122.89 8fab s LEU 135 Ca 0.05 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 8fab s LEU 135 Cb -0.15 -1.57 0.03 0.00 0.03 0.00 0.00 46.19 44.53 8fab s LEU 135 CO -0.03 0.21 -0.15 -0.63 0.23 0.00 0.00 176.35 175.98 8fab s ILE 136 N 0.06 1.87 0.13 -0.59 1.01 -0.54 -0.77 121.20 122.37 8fab s ILE 136 Ca -0.06 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.61 8fab s ILE 136 Cb -0.15 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 8fab s ILE 136 CO 0.05 0.36 0.02 -0.94 0.00 0.00 0.00 174.94 174.42 8fab s SER 137 N 1.33 0.66 -0.90 3.58 1.04 -0.11 -0.94 113.70 118.36 8fab s SER 137 Ca 0.02 -1.16 -0.05 0.00 0.48 0.00 0.00 55.95 55.24 8fab s SER 137 Cb -0.15 0.22 0.01 0.00 0.10 0.00 0.00 66.02 66.20 8fab s SER 137 CO -0.10 -0.65 0.78 0.47 0.98 0.00 0.00 173.24 174.72 8fab n ASP 138 N -0.11 -4.23 -4.52 7.02 8.00 0.45 -0.55 116.55 122.62 8fab n ASP 138 Ca -0.07 -0.38 -0.28 0.00 0.71 0.00 0.00 54.79 54.76 8fab n ASP 138 Cb 0.63 -3.62 -0.10 0.00 -0.02 0.00 0.00 41.12 38.01 8fab n ASP 138 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 8fab s PHE 139 N -3.23 2.56 -0.15 1.24 -0.71 -1.06 -4.47 117.98 112.17 8fab s PHE 139 Ca 0.30 -0.25 -0.11 0.00 -1.04 0.00 0.00 56.93 55.83 8fab s PHE 139 Cb -0.13 -1.30 0.05 0.00 -1.21 0.00 0.00 43.02 40.43 8fab s PHE 139 CO 0.50 0.46 0.38 -0.47 -1.34 0.00 0.00 175.22 174.75 8fab s TYR 140 N -1.45 -0.50 1.04 3.49 5.04 -0.83 -0.46 117.35 123.69 8fab s TYR 140 Ca 0.21 1.12 -0.12 0.00 -2.44 0.00 0.00 57.07 55.85 8fab s TYR 140 Cb -0.10 0.19 0.21 0.00 0.35 0.00 0.00 41.96 42.62 8fab s TYR 140 CO 0.12 -0.27 1.08 -2.14 -1.34 0.00 0.00 175.55 173.00 8fab s PRO 141 N 0.88 0.06 -1.24 4.97 0.02 -1.26 -1.63 135.00 136.80 8fab s PRO 141 Ca -0.06 1.12 -0.06 0.00 0.02 0.00 0.00 61.00 62.03 8fab s PRO 141 Cb -0.06 -1.65 0.06 0.00 0.02 0.00 0.00 34.50 32.87 8fab s PRO 141 CO -0.07 -3.15 2.58 0.41 -0.33 0.00 0.00 177.00 176.45 8fab n GLY 142 N 0.37 4.86 2.82 0.52 0.00 -1.26 -4.82 105.19 107.68 8fab n GLY 142 Ca 0.07 -1.90 -0.17 0.00 0.00 0.00 0.00 46.02 44.02 8fab n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 8fab s ALA 143 N -0.52 0.33 0.09 4.61 0.00 -1.26 -4.78 121.76 120.23 8fab s ALA 143 Ca 0.58 0.16 -0.02 0.00 0.00 0.00 0.00 51.96 52.68 8fab s ALA 143 Cb 0.21 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 8fab s ALA 143 CO -0.10 -0.08 0.04 0.14 0.00 0.00 0.00 175.76 175.77 8fab s VAL 144 N 1.02 0.16 -0.12 0.00 -7.23 -1.26 -4.65 120.40 108.32 8fab s VAL 144 Ca -0.10 -1.77 0.02 0.00 -1.81 0.00 0.00 61.98 58.32 8fab s VAL 144 Cb -0.14 -1.74 -0.01 0.00 0.56 0.00 0.00 36.38 35.06 8fab s VAL 144 CO -0.02 -0.70 -0.18 -0.89 -0.31 0.00 0.00 175.10 172.99 8fab s THR 145 N -3.97 2.53 -0.08 5.32 2.01 -0.38 -4.96 115.64 116.11 8fab s THR 145 Ca 0.15 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.32 8fab s THR 145 Cb 0.07 -2.03 -0.03 0.00 0.01 0.00 0.00 72.50 70.53 8fab s THR 145 CO -0.05 0.54 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.63 8fab s VAL 146 N 0.43 3.37 0.00 3.82 1.01 -1.26 -1.15 120.40 126.63 8fab s VAL 146 Ca -0.13 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 8fab s VAL 146 Cb -0.17 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 8fab s VAL 146 CO 0.06 0.58 0.01 0.00 0.00 0.00 0.00 175.10 175.75 8fab s ALA 147 N -0.51 -0.01 0.11 5.51 0.00 -0.24 -5.00 121.76 121.62 8fab s ALA 147 Ca 0.07 -0.20 0.10 0.00 0.00 0.00 0.00 51.96 51.93 8fab s ALA 147 Cb -0.12 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 8fab s ALA 147 CO 0.02 -0.08 -0.22 -1.58 0.00 0.00 0.00 175.76 173.89 8fab s TRP 148 N -0.65 2.43 0.01 0.00 0.52 -1.26 -0.48 118.94 119.51 8fab s TRP 148 Ca -0.07 -0.32 0.01 0.00 0.02 0.00 0.00 56.10 55.74 8fab s TRP 148 Cb -0.04 -1.33 -0.01 0.00 -1.15 0.00 0.00 33.47 30.94 8fab s TRP 148 CO -0.00 0.33 -0.05 0.15 0.02 0.00 0.00 176.95 177.40 8fab s LYS 149 N -1.94 0.36 -0.29 4.98 -0.14 -0.55 -0.99 119.74 121.17 8fab s LYS 149 Ca 0.15 -0.36 -0.03 0.00 -1.36 0.00 0.00 55.97 54.38 8fab s LYS 149 Cb -0.10 -0.24 0.04 0.00 -1.68 0.00 0.00 37.83 35.85 8fab s LYS 149 CO 0.07 0.05 0.00 0.00 -0.76 0.00 0.00 175.35 174.72 8fab s ALA 150 N -0.60 2.83 0.00 5.17 0.00 -0.18 -0.81 121.76 128.17 8fab s ALA 150 Ca -0.04 -1.62 0.00 0.00 0.00 0.00 0.00 51.96 50.30 8fab s ALA 150 Cb -0.05 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 21.15 8fab s ALA 150 CO -0.00 -1.09 0.00 -0.25 0.00 0.00 0.00 175.76 174.42 8fab n ASP 151 N 4.69 0.00 -0.49 0.00 8.00 0.44 -1.12 116.55 128.07 8fab n ASP 151 Ca -0.14 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.40 8fab n ASP 151 Cb 0.45 0.00 0.12 0.00 -0.02 0.00 0.00 41.12 41.67 8fab n ASP 151 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 8fab n SER 152 N 10.79 2.69 -4.74 -2.24 7.64 -1.26 -4.85 113.62 121.65 8fab n SER 152 Ca 0.00 -1.98 -0.36 0.00 1.01 0.00 0.00 58.87 57.53 8fab n SER 152 Cb 0.00 -0.17 -0.07 0.00 -1.01 0.00 0.00 64.21 62.95 8fab n SER 152 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 8fab s SER 153 N -0.99 6.40 0.27 6.43 0.01 -0.27 -5.05 113.70 120.48 8fab s SER 153 Ca 0.18 0.46 -0.30 0.00 1.31 0.00 0.00 55.95 57.60 8fab s SER 153 Cb 0.09 -2.16 -0.10 0.00 0.21 0.00 0.00 66.02 64.06 8fab s SER 153 CO 0.12 0.14 1.42 -2.16 0.41 0.00 0.00 173.24 173.16 8fab s PRO 154 N 0.33 4.28 -0.11 12.44 0.04 -1.26 -1.01 135.00 149.71 8fab s PRO 154 Ca 0.15 2.30 -0.03 0.00 0.04 0.00 0.00 61.00 63.46 8fab s PRO 154 Cb -0.13 -3.10 -0.03 0.00 0.04 0.00 0.00 34.50 31.28 8fab s PRO 154 CO 0.03 -0.38 -0.00 0.42 0.04 0.00 0.00 177.00 177.10 8fab s ILE 155 N -0.26 4.23 0.00 0.56 1.01 -0.16 -4.89 121.20 121.70 8fab s ILE 155 Ca 0.57 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.96 8fab s ILE 155 Cb -0.42 -2.81 0.00 0.00 0.01 0.00 0.00 42.46 39.25 8fab s ILE 155 CO 0.46 0.57 0.00 0.29 0.00 0.00 0.00 174.94 176.26 8fab n LYS 156 N 2.58 3.34 -2.48 2.79 4.76 -1.26 -4.27 118.16 123.63 8fab n LYS 156 Ca -0.18 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 54.84 8fab n LYS 156 Cb 0.53 -0.94 -0.03 0.00 -1.84 0.00 0.00 35.03 32.74 8fab n LYS 156 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 8fab s ALA 157 N -1.88 3.37 0.00 7.82 0.00 -1.26 -3.90 121.76 125.91 8fab s ALA 157 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.78 8fab s ALA 157 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.73 8fab s ALA 157 CO 0.00 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.85 8fab n GLY 158 N 2.57 0.87 3.77 0.00 0.00 -1.26 -4.84 105.19 106.30 8fab n GLY 158 Ca 0.05 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 8fab n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 8fab s VAL 159 N -2.00 5.30 -0.06 1.61 1.01 -1.25 -1.35 120.40 123.65 8fab s VAL 159 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.12 8fab s VAL 159 Cb 0.00 -3.36 0.02 0.00 0.00 0.00 0.00 36.38 33.04 8fab s VAL 159 CO 0.00 0.52 -0.04 -1.61 0.00 0.00 0.00 175.10 173.97 8fab s GLU 160 N -0.24 0.92 -0.10 2.72 0.41 -0.53 -4.96 118.70 116.93 8fab s GLU 160 Ca 0.10 -0.08 0.02 0.00 -0.41 0.00 0.00 54.97 54.60 8fab s GLU 160 Cb -0.12 -1.03 0.01 0.00 -1.78 0.00 0.00 34.13 31.21 8fab s GLU 160 CO 0.01 -0.17 -0.15 0.99 -0.49 0.00 0.00 175.26 175.44 8fab s THR 161 N 1.36 1.48 0.62 3.63 2.01 -1.26 0.29 115.64 123.77 8fab s THR 161 Ca -0.04 -0.64 -0.14 0.00 0.31 0.00 0.00 61.69 61.18 8fab s THR 161 Cb -0.13 -1.35 -0.03 0.00 0.01 0.00 0.00 72.50 71.00 8fab s THR 161 CO -0.03 0.44 1.05 0.42 -0.69 0.00 0.00 174.62 175.81 8fab s THR 162 N 0.89 4.06 0.21 -0.82 -4.23 -0.09 -4.97 115.64 110.68 8fab s THR 162 Ca -0.09 0.84 -0.30 0.00 -1.18 0.00 0.00 61.69 60.96 8fab s THR 162 Cb -0.15 -3.47 -0.08 0.00 1.34 0.00 0.00 72.50 70.13 8fab s THR 162 CO 0.00 -0.71 1.15 -0.89 -0.54 0.00 0.00 174.62 173.63 8fab s THR 163 N -2.75 3.64 0.32 3.99 2.01 -1.26 -4.39 115.64 117.20 8fab s THR 163 Ca 0.60 1.45 -0.29 0.00 0.31 0.00 0.00 61.69 63.76 8fab s THR 163 Cb -0.14 -3.92 -0.12 0.00 0.01 0.00 0.00 72.50 68.33 8fab s THR 163 CO 0.44 0.26 1.47 -2.65 -0.69 0.00 0.00 174.62 173.45 8fab n PRO 164 N 2.15 2.48 -4.13 4.92 -0.02 -1.26 -4.85 135.00 134.28 8fab n PRO 164 Ca 0.03 0.88 -0.16 0.00 -2.02 0.00 0.00 63.50 62.22 8fab n PRO 164 Cb 0.45 -2.58 -0.12 0.00 -0.02 0.00 0.00 33.50 31.23 8fab n PRO 164 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 8fab s SER 165 N 0.09 1.36 0.48 2.55 1.04 -0.80 -4.91 113.70 113.51 8fab s SER 165 Ca 0.59 -0.59 -0.22 0.00 0.48 0.00 0.00 55.95 56.21 8fab s SER 165 Cb -0.53 -0.02 -0.07 0.00 0.10 0.00 0.00 66.02 65.51 8fab s SER 165 CO 0.57 -0.13 1.14 -0.54 0.98 0.00 0.00 173.24 175.26 8fab s LYS 166 N -1.68 3.66 0.53 4.02 1.02 -1.26 -1.66 119.74 124.38 8fab s LYS 166 Ca -0.05 1.67 0.09 0.00 0.02 0.00 0.00 55.97 57.70 8fab s LYS 166 Cb -0.10 -2.27 0.06 0.00 -0.52 0.00 0.00 37.83 35.00 8fab s LYS 166 CO 0.02 -0.61 0.68 -0.65 -0.92 0.00 0.00 175.35 173.87 8fab s GLN 167 N -2.91 2.42 0.16 1.68 -0.21 0.65 -4.87 119.66 116.59 8fab s GLN 167 Ca 0.66 -1.60 -0.19 0.00 0.02 0.00 0.00 55.36 54.26 8fab s GLN 167 Cb -0.26 -2.59 0.07 0.00 1.00 0.00 0.00 33.01 31.23 8fab s GLN 167 CO 0.31 -0.67 1.66 0.66 -2.12 0.00 0.00 175.29 175.13 8fab h SER 168 N 0.39 -0.45 0.00 5.90 4.64 -1.97 -0.52 113.55 121.54 8fab h SER 168 Ca -0.33 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 8fab h SER 168 Cb 1.29 0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.64 8fab h SER 168 CO 0.45 -0.16 0.00 -0.46 -0.87 0.00 0.00 176.83 175.78 8fab n ASN 169 N -5.32 0.00 0.00 4.97 0.23 -1.26 -4.76 115.26 109.12 8fab n ASN 169 Ca 0.01 0.11 0.00 0.00 -0.53 0.00 0.00 54.58 54.17 8fab n ASN 169 Cb 0.23 -0.11 0.00 0.00 -2.08 0.00 0.00 39.78 37.82 8fab n ASN 169 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 8fab n ASN 170 N -1.10 -3.91 -4.98 0.53 3.02 -0.20 -5.01 115.26 103.62 8fab n ASN 170 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.35 8fab n ASN 170 Cb 0.00 -1.80 0.03 0.00 -0.61 0.00 0.00 39.78 37.41 8fab n ASN 170 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 8fab s LYS 171 N -0.87 2.59 0.31 3.52 1.02 -1.26 -4.79 119.74 120.26 8fab s LYS 171 Ca 0.00 -0.90 0.08 0.00 0.02 0.00 0.00 55.97 55.17 8fab s LYS 171 Cb 0.00 -2.55 -0.04 0.00 -0.52 0.00 0.00 37.83 34.72 8fab s LYS 171 CO 0.00 -0.63 0.15 0.71 -0.92 0.00 0.00 175.35 174.66 8fab s TYR 172 N -2.67 2.81 0.02 3.18 1.51 0.40 -0.25 117.35 122.35 8fab s TYR 172 Ca 0.57 -0.28 -0.02 0.00 -1.01 0.00 0.00 57.07 56.33 8fab s TYR 172 Cb -0.10 -1.53 -0.02 0.00 -0.11 0.00 0.00 41.96 40.20 8fab s TYR 172 CO 0.37 0.41 0.01 0.00 -1.11 0.00 0.00 175.55 175.23 8fab s ALA 173 N -2.33 0.07 0.19 3.71 0.00 -0.66 -0.41 121.76 122.32 8fab s ALA 173 Ca 0.36 -0.58 -0.13 0.00 0.00 0.00 0.00 51.96 51.61 8fab s ALA 173 Cb -0.05 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.25 8fab s ALA 173 CO 0.23 -0.21 0.41 0.00 0.00 0.00 0.00 175.76 176.18 8fab s ALA 174 N -1.90 -0.42 0.06 0.00 0.00 -0.12 -1.90 121.76 117.48 8fab s ALA 174 Ca -0.12 -0.61 0.01 0.00 0.00 0.00 0.00 51.96 51.25 8fab s ALA 174 Cb -0.06 0.88 -0.03 0.00 0.00 0.00 0.00 23.12 23.91 8fab s ALA 174 CO -0.02 -0.74 -0.06 -1.54 0.00 0.00 0.00 175.76 173.40 8fab s SER 175 N -2.93 0.79 0.01 0.00 1.04 -1.26 -1.47 113.70 109.87 8fab s SER 175 Ca 0.14 -0.77 -0.02 0.00 0.48 0.00 0.00 55.95 55.79 8fab s SER 175 Cb 0.01 0.09 -0.01 0.00 0.10 0.00 0.00 66.02 66.21 8fab s SER 175 CO -0.00 -0.37 0.02 -0.55 0.98 0.00 0.00 173.24 173.31 8fab s SER 176 N -2.27 0.15 0.02 7.02 0.15 -0.53 -0.92 113.70 117.32 8fab s SER 176 Ca -0.01 -0.34 0.04 0.00 0.70 0.00 0.00 55.95 56.35 8fab s SER 176 Cb -0.02 0.12 -0.02 0.00 -1.71 0.00 0.00 66.02 64.39 8fab s SER 176 CO -0.03 -0.26 -0.12 -0.31 1.20 0.00 0.00 173.24 173.71 8fab s TYR 177 N -1.18 1.09 -0.15 3.44 1.51 0.15 -1.22 117.35 120.99 8fab s TYR 177 Ca -0.13 -0.30 0.00 0.00 -1.01 0.00 0.00 57.07 55.63 8fab s TYR 177 Cb -0.08 -0.67 0.03 0.00 -0.11 0.00 0.00 41.96 41.13 8fab s TYR 177 CO -0.00 0.01 -0.12 -1.17 -1.11 0.00 0.00 175.55 173.16 8fab s LEU 178 N -0.86 1.65 -0.08 -1.29 2.96 -0.77 -1.45 118.68 118.84 8fab s LEU 178 Ca 0.02 -0.51 -0.13 0.00 -0.22 0.00 0.00 54.13 53.28 8fab s LEU 178 Cb -0.07 -1.09 -0.05 0.00 0.50 0.00 0.00 46.19 45.48 8fab s LEU 178 CO 0.01 -0.09 0.33 -0.44 -1.32 0.00 0.00 176.35 174.84 8fab s SER 179 N 1.54 6.62 0.13 3.68 0.01 -0.46 -0.58 113.70 124.64 8fab s SER 179 Ca 0.04 0.73 -0.05 0.00 1.31 0.00 0.00 55.95 57.98 8fab s SER 179 Cb -0.13 -2.20 -0.03 0.00 0.21 0.00 0.00 66.02 63.87 8fab s SER 179 CO -0.10 0.25 0.14 -0.76 0.41 0.00 0.00 173.24 173.18 8fab s LEU 180 N -0.49 1.53 0.40 2.44 1.43 0.05 -4.75 118.68 119.29 8fab s LEU 180 Ca 0.20 -1.02 -0.09 0.00 -1.03 0.00 0.00 54.13 52.19 8fab s LEU 180 Cb -0.15 0.67 -0.06 0.00 0.03 0.00 0.00 46.19 46.69 8fab s LEU 180 CO 0.09 -0.77 0.75 0.42 0.23 0.00 0.00 176.35 177.06 8fab s THR 181 N -3.99 4.83 0.45 5.49 -4.23 -1.26 -2.73 115.64 114.20 8fab s THR 181 Ca 0.18 0.51 0.15 0.00 -1.18 0.00 0.00 61.69 61.35 8fab s THR 181 Cb 0.06 -3.75 0.33 0.00 1.34 0.00 0.00 72.50 70.48 8fab s THR 181 CO -0.01 -0.55 2.00 -0.65 -0.54 0.00 0.00 174.62 174.87 8fab h PRO 182 N 1.16 0.31 -0.15 3.99 0.11 -1.85 -1.62 132.00 133.95 8fab h PRO 182 Ca -0.47 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.47 8fab h PRO 182 Cb 1.19 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 8fab h PRO 182 CO 0.64 0.21 -0.53 1.49 -0.21 0.00 0.00 178.00 179.59 8fab h GLU 183 N 0.32 0.42 -0.66 1.05 4.57 -1.97 -2.40 114.58 115.92 8fab h GLU 183 Ca 0.25 -0.26 -0.06 0.00 -1.18 0.00 0.00 59.36 58.11 8fab h GLU 183 Cb 0.54 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.13 8fab h GLU 183 CO -0.06 0.85 0.18 1.96 -1.18 0.00 0.00 179.01 180.77 8fab h GLN 184 N 0.33 1.04 -0.08 1.92 4.20 -1.70 -2.41 115.11 118.41 8fab h GLN 184 Ca 0.01 -0.24 0.03 0.00 0.06 0.00 0.00 58.65 58.51 8fab h GLN 184 Cb 1.05 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.65 8fab h GLN 184 CO 0.09 0.92 -0.11 2.35 -0.67 0.00 0.00 178.83 181.41 8fab h TRP 185 N 0.97 -0.28 0.00 2.96 -0.00 -1.21 -2.82 115.95 115.57 8fab h TRP 185 Ca 0.21 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 59.12 8fab h TRP 185 Cb 0.33 0.14 0.00 0.00 -0.00 0.00 0.00 29.16 29.63 8fab h TRP 185 CO 0.02 -0.17 0.00 0.87 -0.00 0.00 0.00 178.44 179.17 8fab h LYS 186 N -0.15 0.00 -0.64 2.65 1.57 -1.34 -3.18 116.57 115.47 8fab h LYS 186 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 8fab h LYS 186 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 8fab h LYS 186 CO -0.17 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.14 8fab n SER 187 N -2.51 4.23 -4.09 0.86 7.64 -0.92 -4.90 113.62 113.95 8fab n SER 187 Ca 0.01 -2.50 -0.12 0.00 1.01 0.00 0.00 58.87 57.27 8fab n SER 187 Cb 0.20 -0.57 -0.11 0.00 -1.01 0.00 0.00 64.21 62.72 8fab n SER 187 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 8fab s HIS 188 N -2.02 0.70 0.12 1.43 3.76 -1.20 -5.06 115.29 113.02 8fab s HIS 188 Ca 0.42 -0.63 0.01 0.00 -0.15 0.00 0.00 55.06 54.71 8fab s HIS 188 Cb 0.29 -0.42 -0.17 0.00 1.11 0.00 0.00 32.58 33.39 8fab s HIS 188 CO 0.17 -0.11 1.26 0.00 -0.85 0.00 0.00 174.74 175.20 8fab h ARG 189 N 4.07 0.19 -3.14 1.40 3.08 -1.90 -3.42 114.38 114.65 8fab h ARG 189 Ca -0.35 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 59.41 8fab h ARG 189 Cb 1.19 0.09 -0.11 0.00 0.08 0.00 0.00 29.97 31.23 8fab h ARG 189 CO 0.48 1.08 0.12 -1.54 -1.07 0.00 0.00 179.97 179.04 8fab s SER 190 N -6.97 -0.40 0.01 7.04 1.04 -1.26 -4.22 113.70 108.94 8fab s SER 190 Ca -0.02 -0.25 0.04 0.00 0.48 0.00 0.00 55.95 56.20 8fab s SER 190 Cb 0.09 0.59 -0.01 0.00 0.10 0.00 0.00 66.02 66.79 8fab s SER 190 CO 0.85 -1.02 -0.14 -0.31 0.98 0.00 0.00 173.24 173.60 8fab s TYR 191 N -3.81 1.20 0.03 5.02 1.51 -0.28 -0.42 117.35 120.60 8fab s TYR 191 Ca 0.05 -0.27 0.05 0.00 -1.01 0.00 0.00 57.07 55.89 8fab s TYR 191 Cb -0.01 -0.75 -0.02 0.00 -0.11 0.00 0.00 41.96 41.06 8fab s TYR 191 CO -0.08 -0.00 -0.15 -1.12 -1.11 0.00 0.00 175.55 173.09 8fab s SER 192 N -0.60 1.75 -0.27 2.29 0.01 0.01 -1.42 113.70 115.47 8fab s SER 192 Ca 0.04 -0.42 -0.10 0.00 1.31 0.00 0.00 55.95 56.78 8fab s SER 192 Cb -0.06 -0.14 -0.05 0.00 0.21 0.00 0.00 66.02 65.99 8fab s SER 192 CO 0.00 0.08 0.17 0.00 0.41 0.00 0.00 173.24 173.90 8fab s GLN 194 N 1.71 3.39 -0.19 0.00 -0.21 0.37 -2.27 119.66 122.47 8fab s GLN 194 Ca 0.07 -0.64 -0.01 0.00 0.02 0.00 0.00 55.36 54.80 8fab s GLN 194 Cb -0.16 -2.88 0.01 0.00 1.00 0.00 0.00 33.01 30.98 8fab s GLN 194 CO 0.09 -0.04 -0.15 0.08 -2.12 0.00 0.00 175.29 173.15 8fab s VAL 195 N 1.06 2.50 -0.15 1.09 1.01 0.51 -1.08 120.40 125.33 8fab s VAL 195 Ca 0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 8fab s VAL 195 Cb -0.15 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 8fab s VAL 195 CO -0.01 0.50 -0.04 -0.89 0.00 0.00 0.00 175.10 174.66 8fab s THR 196 N 1.32 3.87 -0.04 3.92 2.01 -0.30 -0.69 115.64 125.72 8fab s THR 196 Ca 0.04 -0.37 -0.01 0.00 0.31 0.00 0.00 61.69 61.66 8fab s THR 196 Cb -0.14 -2.69 0.03 0.00 0.01 0.00 0.00 72.50 69.72 8fab s THR 196 CO -0.09 0.50 0.07 -2.28 -0.69 0.00 0.00 174.62 172.13 8fab s HIS 197 N 0.28 -0.01 -1.58 4.92 5.04 -0.68 -1.25 115.29 122.01 8fab s HIS 197 Ca -0.03 0.26 -0.15 0.00 -1.54 0.00 0.00 55.06 53.59 8fab s HIS 197 Cb -0.14 -0.27 0.11 0.00 0.04 0.00 0.00 32.58 32.32 8fab s HIS 197 CO 0.03 -0.14 0.86 0.39 -2.34 0.00 0.00 174.74 173.54 8fab n GLU 198 N 4.56 -4.41 -0.40 2.88 -0.58 -1.26 -1.79 120.64 119.63 8fab n GLU 198 Ca -0.20 0.50 0.00 0.00 -0.42 0.00 0.00 57.16 57.04 8fab n GLU 198 Cb 0.50 -5.32 0.00 0.00 -0.57 0.00 0.00 31.44 26.05 8fab n GLU 198 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 8fab n GLY 199 N -1.52 1.89 3.67 0.62 0.00 -1.26 -5.03 105.19 103.55 8fab n GLY 199 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 8fab n GLY 199 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 8fab s SER 200 N -3.38 5.03 -0.10 1.61 0.01 -0.74 -5.11 113.70 111.02 8fab s SER 200 Ca 0.00 -0.04 -0.03 0.00 1.31 0.00 0.00 55.95 57.19 8fab s SER 200 Cb 0.00 -1.28 -0.03 0.00 0.21 0.00 0.00 66.02 64.91 8fab s SER 200 CO 0.00 0.27 0.01 -0.89 0.41 0.00 0.00 173.24 173.04 8fab s THR 201 N -1.09 4.34 -0.09 1.44 2.01 -1.26 -1.68 115.64 119.31 8fab s THR 201 Ca 0.20 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 61.98 8fab s THR 201 Cb -0.11 -2.84 -0.02 0.00 0.01 0.00 0.00 72.50 69.53 8fab s THR 201 CO 0.10 0.59 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.81 8fab s VAL 202 N -0.68 3.27 0.01 3.82 1.01 0.13 -4.95 120.40 123.00 8fab s VAL 202 Ca 0.11 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.47 8fab s VAL 202 Cb -0.12 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 8fab s VAL 202 CO 0.02 0.57 -0.01 -0.70 0.00 0.00 0.00 175.10 174.98 8fab s GLU 203 N -0.35 0.12 0.03 2.72 2.12 -1.26 -0.37 118.70 121.72 8fab s GLU 203 Ca 0.04 -0.21 0.04 0.00 0.36 0.00 0.00 54.97 55.20 8fab s GLU 203 Cb -0.13 0.02 -0.02 0.00 0.26 0.00 0.00 34.13 34.27 8fab s GLU 203 CO 0.02 -0.01 -0.12 0.15 -0.54 0.00 0.00 175.26 174.76 8fab s LYS 204 N -0.50 0.82 0.02 4.30 -0.14 -0.96 -5.01 119.74 118.27 8fab s LYS 204 Ca -0.05 -0.68 0.04 0.00 -1.36 0.00 0.00 55.97 53.92 8fab s LYS 204 Cb -0.03 -0.78 -0.02 0.00 -1.68 0.00 0.00 37.83 35.32 8fab s LYS 204 CO -0.00 0.19 -0.13 0.99 -0.76 0.00 0.00 175.35 175.64 8fab s THR 205 N -0.83 1.03 0.16 2.17 2.01 -1.26 -1.56 115.64 117.35 8fab s THR 205 Ca -0.00 -0.84 0.07 0.00 0.31 0.00 0.00 61.69 61.23 8fab s THR 205 Cb -0.07 -0.92 -0.04 0.00 0.01 0.00 0.00 72.50 71.48 8fab s THR 205 CO 0.01 0.07 -0.16 0.68 -0.69 0.00 0.00 174.62 174.53 8fab s VAL 206 N -0.68 1.64 0.01 3.82 -7.23 -0.51 -4.99 120.40 112.46 8fab s VAL 206 Ca 0.02 -1.91 0.04 0.00 -1.81 0.00 0.00 61.98 58.32 8fab s VAL 206 Cb -0.07 -1.78 -0.01 0.00 0.56 0.00 0.00 36.38 35.08 8fab s VAL 206 CO 0.01 -0.40 -0.12 0.00 -0.31 0.00 0.00 175.10 174.27 8fab s ALA 207 N -2.25 1.02 -1.59 1.32 0.00 -1.26 -1.12 121.76 117.87 8fab s ALA 207 Ca 0.15 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.48 8fab s ALA 207 Cb -0.04 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.87 8fab s ALA 207 CO 0.05 0.22 0.40 -2.30 0.00 0.00 0.00 175.76 174.13