#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kts n VAL 2 N 0.00 2.70 -4.42 1.12 3.14 -1.26 -5.05 118.33 114.56 2kts n VAL 2 Ca 0.00 -0.50 -0.21 0.00 -2.96 0.00 0.00 64.34 60.67 2kts n VAL 2 Cb 0.00 -1.68 -0.10 0.00 -1.06 0.00 0.00 33.84 31.00 2kts n VAL 2 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 2kts s THR 3 N -1.20 1.51 0.24 1.55 -4.23 -1.26 -4.86 115.64 107.39 2kts s THR 3 Ca 0.61 -2.09 0.02 0.00 -1.18 0.00 0.00 61.69 59.05 2kts s THR 3 Cb -0.48 -2.49 -0.00 0.00 1.34 0.00 0.00 72.50 70.87 2kts s THR 3 CO 0.57 -0.26 1.61 1.55 -0.54 0.00 0.00 174.62 177.55 2kts h PRO 4 N 2.27 0.42 -0.07 3.99 0.13 -1.97 -3.34 132.00 133.43 2kts h PRO 4 Ca -0.40 -0.23 0.03 0.00 -0.87 0.00 0.00 66.00 64.53 2kts h PRO 4 Cb 1.23 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.31 2kts h PRO 4 CO 0.67 0.79 -0.54 1.49 -0.23 0.00 0.00 178.00 180.18 2kts h GLU 5 N 0.34 -0.60 -0.10 0.86 4.22 -1.97 -0.64 114.58 116.68 2kts h GLU 5 Ca 0.02 0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.50 2kts h GLU 5 Cb 0.93 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2kts h GLU 5 CO 0.08 -0.40 0.00 0.00 -2.18 0.00 0.00 179.01 176.51 2kts n GLN 6 N -5.45 0.22 0.00 1.92 10.64 -1.25 -3.16 117.38 120.30 2kts n GLN 6 Ca -0.07 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.10 2kts n GLN 6 Cb 0.39 -1.05 0.00 0.00 -0.86 0.00 0.00 30.24 28.72 2kts n GLN 6 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2kts n LEU 7 N -0.07 0.14 0.00 2.61 4.77 -0.69 -4.78 117.00 118.98 2kts n LEU 7 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2kts n LEU 7 Cb 0.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2kts n LEU 7 CO 0.00 -0.26 0.38 0.00 -1.33 0.00 0.00 177.39 176.18 2kts n GLN 8 N -2.58 0.00 0.00 3.23 6.02 -0.33 -1.22 117.38 122.50 2kts n GLN 8 Ca 0.00 0.24 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 2kts n GLN 8 Cb 0.18 -1.55 0.00 0.00 1.02 0.00 0.00 30.24 29.90 2kts n GLN 8 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2kts n HIS 9 N -1.21 0.00 -4.79 1.08 8.25 -1.26 -3.98 115.22 113.30 2kts n HIS 9 Ca 0.00 -0.02 -0.32 0.00 -0.26 0.00 0.00 57.72 57.12 2kts n HIS 9 Cb 0.05 -0.00 -0.17 0.00 1.12 0.00 0.00 29.99 30.99 2kts n HIS 9 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kts s HIS 10 N -0.05 2.52 0.64 4.41 3.76 -0.36 -5.04 115.29 121.17 2kts s HIS 10 Ca 0.00 -1.19 -0.16 0.00 -0.15 0.00 0.00 55.06 53.56 2kts s HIS 10 Cb 0.00 -1.72 -0.01 0.00 1.11 0.00 0.00 32.58 31.96 2kts s HIS 10 CO 0.00 -0.53 1.10 0.50 -0.85 0.00 0.00 174.74 174.96 2kts s ARG 11 N 0.70 2.94 0.24 1.40 3.52 -1.26 -3.82 118.95 122.67 2kts s ARG 11 Ca -0.11 1.39 0.04 0.00 -0.13 0.00 0.00 55.73 56.92 2kts s ARG 11 Cb -0.16 -1.97 -0.05 0.00 -1.56 0.00 0.00 34.95 31.21 2kts s ARG 11 CO 0.01 -1.14 -0.00 -0.06 -0.81 0.00 0.00 175.30 173.30 2kts s PHE 12 N -2.29 1.60 0.04 5.12 0.40 0.33 -4.10 117.98 119.08 2kts s PHE 12 Ca 0.67 -0.92 0.05 0.00 -0.60 0.00 0.00 56.93 56.14 2kts s PHE 12 Cb -0.20 -0.93 -0.02 0.00 0.51 0.00 0.00 43.02 42.37 2kts s PHE 12 CO 0.39 -0.03 -0.16 0.54 0.70 0.00 0.00 175.22 176.67 2kts s VAL 13 N -3.40 1.24 -1.08 -0.44 0.11 -0.42 -1.04 120.40 115.36 2kts s VAL 13 Ca 0.29 -1.06 -0.22 0.00 -2.93 0.00 0.00 61.98 58.06 2kts s VAL 13 Cb 0.06 -1.11 0.03 0.00 -1.53 0.00 0.00 36.38 33.83 2kts s VAL 13 CO 0.09 0.03 1.62 -0.22 -3.33 0.00 0.00 175.10 173.30 2kts s LEU 14 N -1.19 3.51 -0.03 2.54 2.96 -1.18 -0.85 118.68 124.44 2kts s LEU 14 Ca 0.03 -1.60 -0.26 0.00 -0.22 0.00 0.00 54.13 52.08 2kts s LEU 14 Cb -0.08 -2.57 -0.21 0.00 0.50 0.00 0.00 46.19 43.83 2kts s LEU 14 CO 0.01 -1.71 1.23 -0.08 -1.32 0.00 0.00 176.35 174.49 2kts h GLU 15 N 9.47 0.01 -3.03 1.98 4.57 -1.91 -3.42 114.58 122.24 2kts h GLU 15 Ca 0.25 -0.01 -0.17 0.00 -1.18 0.00 0.00 59.36 58.25 2kts h GLU 15 Cb 0.97 0.00 -0.27 0.00 -0.16 0.00 0.00 28.75 29.29 2kts h GLU 15 CO 1.39 0.53 -0.42 -1.54 -1.18 0.00 0.00 179.01 177.80 2kts s SER 16 N -5.75 -0.29 0.84 1.04 1.04 -1.18 -3.76 113.70 105.64 2kts s SER 16 Ca -0.16 0.56 -0.12 0.00 0.48 0.00 0.00 55.95 56.71 2kts s SER 16 Cb 0.01 0.52 0.09 0.00 0.10 0.00 0.00 66.02 66.75 2kts s SER 16 CO 0.68 -0.12 1.15 -0.69 0.98 0.00 0.00 173.24 175.23 2kts s VAL 17 N 0.58 2.23 0.43 5.02 1.01 0.04 -2.50 120.40 127.21 2kts s VAL 17 Ca -0.04 0.07 0.19 0.00 0.00 0.00 0.00 61.98 62.21 2kts s VAL 17 Cb -0.05 -2.96 0.40 0.00 0.00 0.00 0.00 36.38 33.77 2kts s VAL 17 CO -0.03 -0.10 1.84 -1.13 0.00 0.00 0.00 175.10 175.68 2kts h ASN 18 N -1.19 0.37 0.04 3.32 -1.24 -1.89 -3.29 115.58 111.71 2kts h ASN 18 Ca -0.48 0.05 -0.34 0.00 0.71 0.00 0.00 56.30 56.24 2kts h ASN 18 Cb 1.32 -0.02 -0.04 0.00 0.73 0.00 0.00 38.32 40.31 2kts h ASN 18 CO 0.64 0.13 -1.88 0.61 -1.29 0.00 0.00 177.43 175.63 2kts n GLY 19 N -1.53 -0.62 3.69 1.57 0.00 -1.26 -5.07 105.19 101.97 2kts n GLY 19 Ca 0.21 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 2kts n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kts s LYS 20 N -2.47 1.57 1.24 1.61 1.02 -1.24 -5.18 119.74 116.29 2kts s LYS 20 Ca -0.29 -0.78 -0.21 0.00 0.02 0.00 0.00 55.97 54.72 2kts s LYS 20 Cb 0.08 0.59 0.32 0.00 -0.52 0.00 0.00 37.83 38.30 2kts s LYS 20 CO 0.64 -0.71 0.85 -0.35 -0.92 0.00 0.00 175.35 174.85 2kts n PRO 21 N -0.43 -4.01 -4.20 -1.68 -0.04 -1.26 -0.78 135.00 122.60 2kts n PRO 21 Ca -0.09 -1.40 -0.16 0.00 -0.04 0.00 0.00 63.50 61.82 2kts n PRO 21 Cb 0.61 -1.61 -0.11 0.00 -0.04 0.00 0.00 33.50 32.35 2kts n PRO 21 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2kts s VAL 22 N -2.26 1.09 -0.20 0.52 1.01 -1.25 -4.72 120.40 114.58 2kts s VAL 22 Ca 0.61 -1.64 -0.04 0.00 0.00 0.00 0.00 61.98 60.91 2kts s VAL 22 Cb -0.09 -1.40 0.10 0.00 0.00 0.00 0.00 36.38 35.00 2kts s VAL 22 CO 0.50 -0.49 0.31 -0.89 0.00 0.00 0.00 175.10 174.53 2kts s THR 23 N -2.26 -0.49 -0.42 3.92 2.01 -1.26 -5.02 115.64 112.13 2kts s THR 23 Ca 0.06 0.01 0.06 0.00 0.31 0.00 0.00 61.69 62.13 2kts s THR 23 Cb -0.04 -0.69 0.43 0.00 0.01 0.00 0.00 72.50 72.21 2kts s THR 23 CO 0.01 -0.08 1.11 -1.20 -0.69 0.00 0.00 174.62 173.77 2kts n SER 24 N 5.35 4.51 0.00 3.53 7.64 -1.26 -5.03 113.62 128.37 2kts n SER 24 Ca -0.05 -3.65 0.00 0.00 1.01 0.00 0.00 58.87 56.18 2kts n SER 24 Cb 0.50 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 2kts n SER 24 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2kts n ASP 25 N -0.48 0.00 0.00 6.43 -0.08 -1.26 -0.83 116.55 120.33 2kts n ASP 25 Ca 0.37 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.65 2kts n ASP 25 Cb 0.70 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.16 2kts n ASP 25 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2kts n LYS 26 N 0.00 1.32 -2.85 -0.67 4.81 -1.26 -4.85 118.16 114.66 2kts n LYS 26 Ca 0.00 -0.13 -0.28 0.00 -0.87 0.00 0.00 58.31 57.04 2kts n LYS 26 Cb 0.00 -0.50 -0.03 0.00 0.02 0.00 0.00 35.03 34.52 2kts n LYS 26 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2kts n ASN 27 N -0.22 4.71 -4.72 3.14 0.23 -0.01 -5.11 115.26 113.28 2kts n ASN 27 Ca 0.00 -3.70 -0.29 0.00 -0.53 0.00 0.00 54.58 50.06 2kts n ASN 27 Cb 0.07 -0.58 0.15 0.00 -2.08 0.00 0.00 39.78 37.34 2kts n ASN 27 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2kts s PRO 28 N -3.54 0.88 -1.03 -0.53 0.04 -1.26 -4.75 135.00 124.81 2kts s PRO 28 Ca 0.48 0.56 -0.11 0.00 0.04 0.00 0.00 61.00 61.97 2kts s PRO 28 Cb 0.30 -1.79 -0.08 0.00 0.04 0.00 0.00 34.50 32.97 2kts s PRO 28 CO -0.15 -2.43 2.19 -0.35 0.04 0.00 0.00 177.00 176.30 2kts n PRO 29 N -3.98 2.24 -1.33 0.56 -0.04 -1.26 -4.92 135.00 126.26 2kts n PRO 29 Ca 0.06 -1.78 -0.29 0.00 -0.04 0.00 0.00 63.50 61.45 2kts n PRO 29 Cb 0.57 -2.71 0.16 0.00 -0.04 0.00 0.00 33.50 31.47 2kts n PRO 29 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2kts s GLU 30 N 3.64 0.79 -0.01 0.54 -1.05 -1.26 -3.10 118.70 118.24 2kts s GLU 30 Ca 0.49 0.43 -0.05 0.00 -0.15 0.00 0.00 54.97 55.69 2kts s GLU 30 Cb 0.13 -1.79 0.00 0.00 -0.44 0.00 0.00 34.13 32.03 2kts s GLU 30 CO -0.00 -2.47 0.10 -1.50 0.95 0.00 0.00 175.26 172.35 2kts s ILE 31 N -3.10 0.06 0.07 1.83 2.07 -0.21 -3.77 121.20 118.15 2kts s ILE 31 Ca 0.64 -0.49 0.01 0.00 -1.41 0.00 0.00 60.65 59.41 2kts s ILE 31 Cb -0.17 -0.31 -0.04 0.00 0.13 0.00 0.00 42.46 42.07 2kts s ILE 31 CO 0.56 -0.27 -0.05 -0.94 -1.91 0.00 0.00 174.94 172.33 2kts s SER 32 N -0.89 0.81 0.20 4.50 1.04 -0.54 -0.51 113.70 118.31 2kts s SER 32 Ca -0.10 -0.87 0.10 0.00 0.48 0.00 0.00 55.95 55.56 2kts s SER 32 Cb -0.06 0.12 -0.04 0.00 0.10 0.00 0.00 66.02 66.13 2kts s SER 32 CO 0.01 -0.44 -0.21 -0.36 0.98 0.00 0.00 173.24 173.21 2kts s PHE 33 N -3.10 2.11 0.00 5.02 0.08 -1.25 -1.77 117.98 119.07 2kts s PHE 33 Ca 0.04 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.69 2kts s PHE 33 Cb 0.02 -1.02 0.00 0.00 -0.57 0.00 0.00 43.02 41.45 2kts s PHE 33 CO -0.05 0.48 0.00 0.41 -0.10 0.00 0.00 175.22 175.96 2kts n GLY 34 N 0.08 3.56 3.25 4.36 0.00 -0.91 -4.31 105.19 111.21 2kts n GLY 34 Ca -0.11 -1.22 -0.37 0.00 0.00 0.00 0.00 46.02 44.32 2kts n GLY 34 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kts n GLU 35 N 0.00 0.08 -1.07 1.61 1.02 -1.26 -1.55 120.64 119.47 2kts n GLU 35 Ca 0.00 0.04 -0.07 0.00 -0.02 0.00 0.00 57.16 57.12 2kts n GLU 35 Cb 0.00 -1.30 -0.03 0.00 -0.02 0.00 0.00 31.44 30.09 2kts n GLU 35 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2kts n LYS 36 N 0.94 -1.75 -2.08 3.49 5.02 -1.26 -1.86 118.16 120.66 2kts n LYS 36 Ca 0.06 0.63 -0.20 0.00 -2.02 0.00 0.00 58.31 56.77 2kts n LYS 36 Cb 0.51 -4.81 -0.04 0.00 -0.02 0.00 0.00 35.03 30.67 2kts n LYS 36 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 2kts n MET 37 N -0.34 -1.61 -0.69 1.97 1.56 -0.60 -4.64 117.12 112.76 2kts n MET 37 Ca -0.07 1.07 -0.30 0.00 -0.27 0.00 0.00 57.70 58.14 2kts n MET 37 Cb 0.46 -5.62 0.20 0.00 2.15 0.00 0.00 33.22 30.40 2kts n MET 37 CO 0.00 0.00 0.00 1.41 -0.73 0.00 0.00 175.97 176.65 2kts s MET 38 N -4.52 0.21 -0.01 2.12 1.75 -0.78 -2.65 119.30 115.42 2kts s MET 38 Ca 0.00 1.16 0.02 0.00 -1.25 0.00 0.00 55.69 55.62 2kts s MET 38 Cb 0.00 -1.66 -0.00 0.00 2.84 0.00 0.00 34.83 36.00 2kts s MET 38 CO 0.00 -3.06 -0.08 0.42 -0.65 0.00 0.00 175.02 171.66 2kts s ILE 39 N -2.60 0.61 0.06 10.11 1.01 -0.37 -2.14 121.20 127.87 2kts s ILE 39 Ca 0.67 -0.32 0.02 0.00 0.00 0.00 0.00 60.65 61.02 2kts s ILE 39 Cb -0.23 -0.52 -0.03 0.00 0.01 0.00 0.00 42.46 41.69 2kts s ILE 39 CO 0.61 0.18 -0.07 -0.44 0.00 0.00 0.00 174.94 175.21 2kts s SER 40 N -0.10 0.88 0.15 3.58 0.01 -0.73 -1.59 113.70 115.90 2kts s SER 40 Ca 0.02 -0.68 -0.10 0.00 1.31 0.00 0.00 55.95 56.50 2kts s SER 40 Cb -0.04 0.06 0.04 0.00 0.21 0.00 0.00 66.02 66.29 2kts s SER 40 CO -0.00 -0.29 0.50 0.61 0.41 0.00 0.00 173.24 174.47 2kts n GLY 41 N 1.05 1.15 2.81 3.44 0.00 -0.44 -1.47 105.19 111.73 2kts n GLY 41 Ca -0.20 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.61 2kts n GLY 41 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kts s SER 42 N -2.22 0.26 0.02 1.61 1.04 -1.25 -2.14 113.70 111.03 2kts s SER 42 Ca 0.11 -1.63 -0.11 0.00 0.48 0.00 0.00 55.95 54.80 2kts s SER 42 Cb -0.02 0.92 -0.06 0.00 0.10 0.00 0.00 66.02 66.96 2kts s SER 42 CO 0.04 -0.20 1.11 0.24 0.98 0.00 0.00 173.24 175.41 2kts h MET 43 N 6.56 -0.38 0.00 4.02 2.86 -1.87 -3.38 114.93 122.74 2kts h MET 43 Ca 0.08 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2kts h MET 43 Cb 1.07 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.82 2kts h MET 43 CO 0.17 -0.25 -0.03 0.00 1.06 0.00 0.00 176.91 177.86 2kts n ASN 45 N -3.22 0.00 -1.16 0.00 3.02 -1.26 -4.90 115.26 107.74 2kts n ASN 45 Ca 0.00 -1.53 0.12 0.00 -0.03 0.00 0.00 54.58 53.15 2kts n ASN 45 Cb 0.01 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.12 2kts n ASN 45 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2kts n ARG 46 N -0.59 -2.31 -3.51 3.52 1.74 -1.26 -1.52 116.66 112.73 2kts n ARG 46 Ca 0.03 1.89 -0.16 0.00 -0.77 0.00 0.00 57.85 58.85 2kts n ARG 46 Cb 0.02 -2.86 -0.05 0.00 -1.02 0.00 0.00 32.46 28.54 2kts n ARG 46 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 2kts s PHE 47 N -4.55 -0.59 0.08 -1.55 -0.71 -0.91 -4.16 117.98 105.59 2kts s PHE 47 Ca 0.00 0.83 -0.18 0.00 -1.04 0.00 0.00 56.93 56.54 2kts s PHE 47 Cb 0.00 0.43 0.04 0.00 -1.21 0.00 0.00 43.02 42.28 2kts s PHE 47 CO 0.00 -0.67 0.44 -1.12 -1.34 0.00 0.00 175.22 172.53 2kts s SER 48 N -1.68 -0.31 0.00 1.98 0.01 -1.05 -1.33 113.70 111.32 2kts s SER 48 Ca -0.07 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.10 2kts s SER 48 Cb -0.00 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.69 2kts s SER 48 CO 0.03 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.53 2kts n GLY 49 N 0.17 1.10 3.55 3.44 0.00 -0.62 -1.15 105.19 111.69 2kts n GLY 49 Ca -0.17 -0.79 -0.37 0.00 0.00 0.00 0.00 46.02 44.69 2kts n GLY 49 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kts s GLU 50 N -2.00 2.35 1.14 1.61 2.12 -1.26 -1.24 118.70 121.42 2kts s GLU 50 Ca 0.00 1.04 -0.18 0.00 0.36 0.00 0.00 54.97 56.19 2kts s GLU 50 Cb 0.00 -4.49 0.26 0.00 0.26 0.00 0.00 34.13 30.16 2kts s GLU 50 CO 0.00 -3.02 1.16 0.20 -0.54 0.00 0.00 175.26 173.06 2kts s GLY 51 N 10.27 1.63 -0.06 -1.50 0.00 -1.09 -2.95 107.32 113.62 2kts s GLY 51 Ca 0.83 -0.98 -0.30 0.00 0.00 0.00 0.00 44.72 44.27 2kts s GLY 51 CO 0.24 -0.14 0.77 1.25 0.00 0.00 0.00 173.10 175.22 2kts s LYS 52 N -5.50 0.94 -0.14 2.90 2.20 -1.25 -4.43 119.74 114.46 2kts s LYS 52 Ca 0.71 0.15 -0.05 0.00 -0.36 0.00 0.00 55.97 56.42 2kts s LYS 52 Cb -0.09 0.44 0.07 0.00 -1.51 0.00 0.00 37.83 36.74 2kts s LYS 52 CO 0.55 -0.31 0.26 -1.17 -0.36 0.00 0.00 175.35 174.33 2kts s LEU 53 N -1.35 -0.30 0.00 5.43 2.96 -1.26 -4.22 118.68 119.94 2kts s LEU 53 Ca -0.07 0.55 0.00 0.00 -0.22 0.00 0.00 54.13 54.40 2kts s LEU 53 Cb -0.00 0.70 0.00 0.00 0.50 0.00 0.00 46.19 47.39 2kts s LEU 53 CO 0.05 -0.24 0.29 -0.24 -1.32 0.00 0.00 176.35 174.89 2kts n SER 54 N 5.35 0.00 -0.92 3.68 2.88 -1.26 -4.65 113.62 118.70 2kts n SER 54 Ca -0.06 -1.05 -0.03 0.00 -1.33 0.00 0.00 58.87 56.40 2kts n SER 54 Cb 0.50 -0.01 -0.03 0.00 -0.75 0.00 0.00 64.21 63.91 2kts n SER 54 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2kts n ASN 55 N 0.00 -0.33 -0.93 -3.46 6.94 -1.26 -5.00 115.26 111.22 2kts n ASN 55 Ca 0.00 -1.75 -0.12 0.00 -0.02 0.00 0.00 54.58 52.69 2kts n ASN 55 Cb 0.51 0.08 -0.05 0.00 -2.36 0.00 0.00 39.78 37.96 2kts n ASN 55 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2kts n GLY 56 N 0.09 1.23 3.20 4.83 0.00 -1.26 -4.96 105.19 108.32 2kts n GLY 56 Ca -0.13 -0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 2kts n GLY 56 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kts s GLU 57 N -2.93 0.90 -0.23 1.61 2.12 -1.26 -1.92 118.70 117.00 2kts s GLU 57 Ca 0.00 -1.05 -0.01 0.00 0.36 0.00 0.00 54.97 54.27 2kts s GLU 57 Cb 0.00 -0.91 0.07 0.00 0.26 0.00 0.00 34.13 33.55 2kts s GLU 57 CO 0.00 0.20 0.02 -1.17 -0.54 0.00 0.00 175.26 173.77 2kts s LEU 58 N -1.93 1.79 0.26 2.70 2.96 0.36 -4.38 118.68 120.44 2kts s LEU 58 Ca 0.02 -1.09 0.08 0.00 -0.22 0.00 0.00 54.13 52.91 2kts s LEU 58 Cb -0.09 -0.81 -0.04 0.00 0.50 0.00 0.00 46.19 45.75 2kts s LEU 58 CO 0.03 -0.31 0.15 0.42 -1.32 0.00 0.00 176.35 175.31 2kts s THR 59 N 1.68 4.21 -0.41 3.68 -4.23 -1.26 -1.86 115.64 117.45 2kts s THR 59 Ca -0.00 -1.53 -0.06 0.00 -1.18 0.00 0.00 61.69 58.92 2kts s THR 59 Cb -0.18 -3.27 0.10 0.00 1.34 0.00 0.00 72.50 70.49 2kts s THR 59 CO -0.11 -0.36 0.23 0.00 -0.54 0.00 0.00 174.62 173.84 2kts s ALA 60 N -2.18 3.21 -2.00 3.99 0.00 0.44 -3.95 121.76 121.27 2kts s ALA 60 Ca 0.32 -2.35 0.14 0.00 0.00 0.00 0.00 51.96 50.08 2kts s ALA 60 Cb -0.07 -2.52 0.85 0.00 0.00 0.00 0.00 23.12 21.37 2kts s ALA 60 CO 0.24 -1.73 1.51 1.17 0.00 0.00 0.00 175.76 176.95 2kts n LYS 61 N 4.75 0.96 -2.62 0.00 4.81 -1.15 -4.33 118.16 120.59 2kts n LYS 61 Ca -0.07 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.32 2kts n LYS 61 Cb 0.42 -1.23 0.06 0.00 0.02 0.00 0.00 35.03 34.30 2kts n LYS 61 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2kts n GLY 62 N 0.67 0.43 3.78 3.14 0.00 -1.26 -4.91 105.19 107.05 2kts n GLY 62 Ca 0.11 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2kts n GLY 62 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kts s LEU 63 N -2.70 4.33 -0.06 0.99 2.96 -1.26 -3.93 118.68 119.01 2kts s LEU 63 Ca 0.12 3.01 -0.04 0.00 -0.22 0.00 0.00 54.13 57.00 2kts s LEU 63 Cb 0.25 -3.67 0.03 0.00 0.50 0.00 0.00 46.19 43.29 2kts s LEU 63 CO -0.06 -0.84 0.16 0.00 -1.32 0.00 0.00 176.35 174.29 2kts s ALA 64 N -1.12 -0.34 0.33 5.97 0.00 -0.30 -4.97 121.76 121.32 2kts s ALA 64 Ca 0.52 0.59 0.08 0.00 0.00 0.00 0.00 51.96 53.15 2kts s ALA 64 Cb -0.46 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.26 2kts s ALA 64 CO 0.62 -0.12 0.28 -1.64 0.00 0.00 0.00 175.76 174.90 2kts s MET 65 N 0.66 1.77 0.00 0.00 -1.94 -1.26 -2.54 119.30 115.98 2kts s MET 65 Ca -0.05 -2.03 0.00 0.00 -1.71 0.00 0.00 55.69 51.90 2kts s MET 65 Cb -0.06 0.33 0.00 0.00 2.01 0.00 0.00 34.83 37.10 2kts s MET 65 CO -0.03 -0.66 0.00 0.25 -0.01 0.00 0.00 175.02 174.57 2kts n THR 66 N -0.63 0.00 -3.12 2.05 -2.24 -0.58 -5.04 114.28 104.73 2kts n THR 66 Ca 0.08 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.63 2kts n THR 66 Cb 0.62 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.81 2kts n THR 66 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2kts n ARG 67 N 0.00 1.98 -2.99 -0.78 5.12 -1.26 -4.95 116.66 113.79 2kts n ARG 67 Ca 0.00 -4.07 -0.18 0.00 -1.93 0.00 0.00 57.85 51.67 2kts n ARG 67 Cb 0.00 -1.92 0.02 0.00 -1.16 0.00 0.00 32.46 29.41 2kts n ARG 67 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 2kts s MET 68 N -2.69 2.71 0.20 5.56 -1.94 -1.26 -5.12 119.30 116.76 2kts s MET 68 Ca 0.43 -1.28 0.05 0.00 -1.71 0.00 0.00 55.69 53.18 2kts s MET 68 Cb 0.28 -2.72 -0.05 0.00 2.01 0.00 0.00 34.83 34.35 2kts s MET 68 CO -0.10 -0.41 -0.09 -1.64 -0.01 0.00 0.00 175.02 172.78 2kts s MET 69 N -4.44 1.26 0.00 2.03 -1.94 -1.26 -4.73 119.30 110.22 2kts s MET 69 Ca 0.56 -1.58 0.00 0.00 -1.71 0.00 0.00 55.69 52.96 2kts s MET 69 Cb -0.09 -0.83 0.00 0.00 2.01 0.00 0.00 34.83 35.91 2kts s MET 69 CO 0.34 0.07 0.51 0.00 -0.01 0.00 0.00 175.02 175.93 2kts n ALA 71 N 0.00 0.00 -2.21 0.00 0.00 -1.26 -4.84 120.51 112.20 2kts n ALA 71 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 2kts n ALA 71 Cb 0.54 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.01 2kts n ALA 71 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2kts s ASN 72 N -0.20 5.84 0.14 0.00 3.84 -1.26 -5.04 114.94 118.26 2kts s ASN 72 Ca 0.00 0.63 0.22 0.00 0.21 0.00 0.00 52.86 53.93 2kts s ASN 72 Cb 0.00 -1.79 -0.07 0.00 -0.55 0.00 0.00 41.25 38.83 2kts s ASN 72 CO 0.00 -0.82 0.91 -0.81 -2.79 0.00 0.00 177.10 173.59 2kts n PRO 73 N -2.34 0.60 0.14 0.43 -0.04 -1.26 -4.49 135.00 128.04 2kts n PRO 73 Ca 0.02 0.04 -0.13 0.00 -0.04 0.00 0.00 63.50 63.40 2kts n PRO 73 Cb 0.57 -1.74 -0.07 0.00 -0.04 0.00 0.00 33.50 32.21 2kts n PRO 73 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 2kts h GLN 74 N 0.00 -0.62 0.00 0.54 4.15 -1.96 -0.98 115.11 116.25 2kts h GLN 74 Ca 0.00 0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.44 2kts h GLN 74 Cb 0.98 0.14 -0.00 0.00 0.21 0.00 0.00 27.48 28.81 2kts h GLN 74 CO 0.00 -0.41 -0.12 -0.07 -1.93 0.00 0.00 178.83 176.30 2kts h LEU 75 N -0.64 0.00 -0.50 -2.39 3.38 -1.88 -0.60 115.31 112.68 2kts h LEU 75 Ca -0.02 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 2kts h LEU 75 Cb 0.60 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2kts h LEU 75 CO -0.15 0.12 -0.65 -1.13 0.09 0.00 0.00 178.44 176.72 2kts h ASN 76 N 0.00 0.45 0.88 -0.43 -0.73 -1.66 -2.60 115.58 111.49 2kts h ASN 76 Ca -0.00 -0.27 -0.21 0.00 1.87 0.00 0.00 56.30 57.69 2kts h ASN 76 Cb 0.24 -0.13 -0.02 0.00 0.27 0.00 0.00 38.32 38.67 2kts h ASN 76 CO 0.02 0.98 -0.99 -0.33 -0.37 0.00 0.00 177.43 176.74 2kts h GLU 77 N 0.28 0.06 -0.47 6.67 4.39 -0.37 -3.32 114.58 121.81 2kts h GLU 77 Ca -0.01 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 2kts h GLU 77 Cb 1.20 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.86 2kts h GLU 77 CO 0.11 0.99 0.16 -0.07 -1.16 0.00 0.00 179.01 179.04 2kts h LEU 78 N 0.02 0.63 -0.50 1.33 4.07 -0.97 0.02 115.31 119.90 2kts h LEU 78 Ca -0.03 -0.08 0.09 0.00 0.08 0.00 0.00 57.88 57.93 2kts h LEU 78 Cb 1.72 -0.16 -0.07 0.00 1.08 0.00 0.00 40.66 43.22 2kts h LEU 78 CO 0.14 0.60 0.09 0.44 -1.08 0.00 0.00 178.44 178.62 2kts h ASP 79 N 0.68 -0.03 0.52 -0.43 3.32 -1.57 0.91 116.42 119.82 2kts h ASP 79 Ca 0.16 0.09 -0.25 0.00 0.02 0.00 0.00 57.03 57.05 2kts h ASP 79 Cb 0.19 0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2kts h ASP 79 CO -0.01 0.01 -1.10 0.78 -1.72 0.00 0.00 179.24 177.20 2kts h ASN 80 N 0.22 0.45 0.50 6.45 2.35 -1.44 -2.04 115.58 122.07 2kts h ASN 80 Ca 0.25 -0.43 -0.02 0.00 -0.55 0.00 0.00 56.30 55.56 2kts h ASN 80 Cb 0.35 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 2kts h ASN 80 CO -0.34 1.28 -0.32 0.74 -1.65 0.00 0.00 177.43 177.14 2kts h THR 81 N 0.13 0.35 -0.29 2.81 2.02 -0.79 -2.39 112.91 114.75 2kts h THR 81 Ca -0.11 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.01 2kts h THR 81 Cb 1.79 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.53 2kts h THR 81 CO 0.18 0.00 -0.10 -0.29 0.37 0.00 0.00 175.52 175.68 2kts h ILE 82 N -0.78 1.22 0.38 3.11 6.09 -0.78 0.92 117.51 127.67 2kts h ILE 82 Ca -0.06 -0.97 -0.02 0.00 -1.37 0.00 0.00 64.86 62.45 2kts h ILE 82 Cb 0.64 1.11 0.00 0.00 0.47 0.00 0.00 36.82 39.05 2kts h ILE 82 CO 0.05 0.32 -0.18 -1.28 -3.07 0.00 0.00 178.15 173.99 2kts h SER 83 N 0.46 -0.44 -0.58 2.19 0.87 -1.32 -2.28 113.55 112.45 2kts h SER 83 Ca 0.09 -0.05 0.04 0.00 -1.23 0.00 0.00 61.79 60.64 2kts h SER 83 Cb 0.46 0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.49 2kts h SER 83 CO 0.03 -0.22 0.32 -0.33 -0.53 0.00 0.00 176.83 176.10 2kts h GLU 84 N -0.63 0.60 0.00 2.24 4.39 -1.25 -2.41 114.58 117.53 2kts h GLU 84 Ca -0.05 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.61 2kts h GLU 84 Cb 0.46 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2kts h GLU 84 CO 0.09 0.40 0.00 -1.33 -1.16 0.00 0.00 179.01 177.01 2kts n MET 85 N -4.81 0.58 -0.00 2.33 2.81 0.30 -1.40 117.12 116.92 2kts n MET 85 Ca 0.06 0.02 0.04 0.00 -1.81 0.00 0.00 57.70 56.01 2kts n MET 85 Cb 0.13 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.08 2kts n MET 85 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2kts n LEU 86 N -1.06 0.14 0.12 4.03 7.99 -0.88 -3.37 117.00 123.97 2kts n LEU 86 Ca 0.14 -0.19 -0.01 0.00 -0.01 0.00 0.00 56.01 55.95 2kts n LEU 86 Cb 0.09 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.40 2kts n LEU 86 CO 0.12 0.03 0.38 0.11 -1.51 0.00 0.00 177.39 176.53 2kts h LYS 87 N 0.00 0.00 -0.04 3.23 6.56 -0.75 0.13 116.57 125.70 2kts h LYS 87 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2kts h LYS 87 Cb 0.29 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.95 2kts h LYS 87 CO 0.00 0.66 0.00 -0.85 -2.06 0.00 0.00 179.45 177.20 2kts n GLU 88 N -3.30 0.80 -1.05 3.15 0.28 -1.19 -4.88 120.64 114.45 2kts n GLU 88 Ca 0.01 -1.27 0.00 0.00 -0.16 0.00 0.00 57.16 55.74 2kts n GLU 88 Cb 0.79 -1.23 0.00 0.00 1.43 0.00 0.00 31.44 32.43 2kts n GLU 88 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kts n GLY 89 N 0.65 -1.98 3.76 -1.84 0.00 -1.26 -5.05 105.19 99.48 2kts n GLY 89 Ca 0.07 -0.52 -0.40 0.00 0.00 0.00 0.00 46.02 45.17 2kts n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kts s ALA 90 N 0.00 3.44 0.41 4.61 0.00 -0.77 -4.85 121.76 124.59 2kts s ALA 90 Ca 0.00 1.02 -0.24 0.00 0.00 0.00 0.00 51.96 52.74 2kts s ALA 90 Cb 0.00 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 2kts s ALA 90 CO 0.00 -0.32 1.07 -0.65 0.00 0.00 0.00 175.76 175.86 2kts s GLN 91 N -1.48 4.10 -0.06 0.00 -1.52 0.14 -0.48 119.66 120.36 2kts s GLN 91 Ca 0.46 1.57 -0.00 0.00 -1.95 0.00 0.00 55.36 55.44 2kts s GLN 91 Cb -0.34 -2.54 0.03 0.00 -0.22 0.00 0.00 33.01 29.94 2kts s GLN 91 CO 0.45 -0.21 -0.02 0.54 -0.25 0.00 0.00 175.29 175.80 2kts s VAL 92 N -1.62 0.45 -0.38 1.09 0.11 -0.81 -2.18 120.40 117.05 2kts s VAL 92 Ca 0.58 0.01 0.02 0.00 -2.93 0.00 0.00 61.98 59.67 2kts s VAL 92 Cb -0.23 -0.54 0.16 0.00 -1.53 0.00 0.00 36.38 34.23 2kts s VAL 92 CO 0.29 0.24 0.31 -1.81 -3.33 0.00 0.00 175.10 170.80 2kts s ASP 93 N 1.48 1.90 -0.43 3.54 1.01 -0.32 -4.67 116.67 119.18 2kts s ASP 93 Ca -0.02 -2.39 -0.29 0.00 0.71 0.00 0.00 52.55 50.56 2kts s ASP 93 Cb -0.13 -0.15 0.02 0.00 1.01 0.00 0.00 42.92 43.67 2kts s ASP 93 CO -0.03 -0.24 1.24 -0.22 0.21 0.00 0.00 175.17 176.13 2kts s LEU 94 N 0.76 3.67 0.00 1.23 2.96 -1.26 -1.14 118.68 124.89 2kts s LEU 94 Ca 0.24 0.71 -0.11 0.00 -0.22 0.00 0.00 54.13 54.74 2kts s LEU 94 Cb -0.11 -3.55 0.16 0.00 0.50 0.00 0.00 46.19 43.19 2kts s LEU 94 CO -0.07 -1.27 0.83 1.07 -1.32 0.00 0.00 176.35 175.59 2kts n THR 95 N 6.78 0.00 -0.33 3.68 5.66 -0.53 -4.50 114.28 125.04 2kts n THR 95 Ca 0.14 -0.57 0.22 0.00 -3.05 0.00 0.00 64.05 60.80 2kts n THR 95 Cb 0.48 -1.56 0.45 0.00 -1.55 0.00 0.00 70.33 68.15 2kts n THR 95 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kts h ALA 96 N -2.00 1.82 -0.02 1.79 0.00 -2.05 -3.16 119.26 115.64 2kts h ALA 96 Ca -0.28 0.21 -0.21 0.00 0.00 0.00 0.00 54.91 54.64 2kts h ALA 96 Cb 0.78 0.22 -0.14 0.00 0.00 0.00 0.00 17.79 18.65 2kts h ALA 96 CO 0.19 -0.60 -0.45 0.27 0.00 0.00 0.00 179.25 178.66 2kts n ASN 97 N -5.12 -2.79 -3.64 0.00 0.23 -1.26 -5.12 115.26 97.56 2kts n ASN 97 Ca 0.30 -3.17 -0.05 0.00 -0.53 0.00 0.00 54.58 51.13 2kts n ASN 97 Cb 0.95 1.74 -0.07 0.00 -2.08 0.00 0.00 39.78 40.33 2kts n ASN 97 CO 0.00 0.00 0.00 -1.58 -0.93 0.00 0.00 177.26 174.75 2kts s GLN 98 N 0.66 0.38 -0.41 -3.83 -0.44 -1.20 -4.59 119.66 110.22 2kts s GLN 98 Ca 0.31 0.54 -0.25 0.00 -2.50 0.00 0.00 55.36 53.47 2kts s GLN 98 Cb 0.22 0.14 0.02 0.00 -1.64 0.00 0.00 33.01 31.75 2kts s GLN 98 CO -0.23 -0.06 0.89 -1.17 0.50 0.00 0.00 175.29 175.22 2kts s LEU 99 N 0.71 4.05 -0.34 3.68 0.20 0.13 -1.46 118.68 125.65 2kts s LEU 99 Ca -0.02 0.28 -0.21 0.00 0.69 0.00 0.00 54.13 54.87 2kts s LEU 99 Cb -0.04 -3.16 0.00 0.00 -0.43 0.00 0.00 46.19 42.55 2kts s LEU 99 CO -0.11 -0.92 0.69 -0.89 -0.29 0.00 0.00 176.35 174.82 2kts s THR 100 N 3.51 4.86 -0.04 3.68 2.01 -0.29 -1.45 115.64 127.92 2kts s THR 100 Ca 0.36 0.80 0.01 0.00 0.31 0.00 0.00 61.69 63.17 2kts s THR 100 Cb -0.11 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.27 2kts s THR 100 CO 0.22 -0.28 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.06 2kts s LEU 101 N 2.80 3.27 -0.04 4.42 2.01 -0.80 -1.17 118.68 129.17 2kts s LEU 101 Ca 0.27 -0.03 -0.07 0.00 0.01 0.00 0.00 54.13 54.32 2kts s LEU 101 Cb -0.14 -1.78 0.01 0.00 0.01 0.00 0.00 46.19 44.29 2kts s LEU 101 CO 0.14 0.33 0.17 0.00 1.01 0.00 0.00 176.35 178.00 2kts s ALA 102 N -0.90 -0.41 0.30 4.21 0.00 -0.93 -1.84 121.76 122.18 2kts s ALA 102 Ca 0.15 0.29 -0.19 0.00 0.00 0.00 0.00 51.96 52.21 2kts s ALA 102 Cb -0.11 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.88 2kts s ALA 102 CO 0.04 -0.13 0.70 0.99 0.00 0.00 0.00 175.76 177.36 2kts s THR 103 N -0.43 0.00 0.38 0.00 2.01 -0.50 -0.69 115.64 116.41 2kts s THR 103 Ca -0.05 -1.07 0.07 0.00 0.31 0.00 0.00 61.69 60.95 2kts s THR 103 Cb -0.03 -2.21 0.29 0.00 0.01 0.00 0.00 72.50 70.56 2kts s THR 103 CO 0.01 0.00 1.99 0.00 -0.69 0.00 0.00 174.62 175.93 2kts h ALA 104 N 2.04 1.73 -0.77 7.40 0.00 -1.97 -2.93 119.26 124.76 2kts h ALA 104 Ca -0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2kts h ALA 104 Cb 1.25 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2kts h ALA 104 CO 0.28 0.18 0.00 1.63 0.00 0.00 0.00 179.25 181.35 2kts n LYS 105 N -4.47 0.00 -0.52 0.00 4.76 -1.26 -5.03 118.16 111.64 2kts n LYS 105 Ca 0.08 0.48 0.00 0.00 -2.87 0.00 0.00 58.31 56.00 2kts n LYS 105 Cb 0.19 -1.37 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 2kts n LYS 105 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2kts n GLN 106 N -1.80 0.00 -4.23 1.97 10.64 -1.11 -5.16 117.38 117.70 2kts n GLN 106 Ca 0.00 0.00 -0.19 0.00 -1.83 0.00 0.00 57.00 54.98 2kts n GLN 106 Cb 0.00 0.00 -0.16 0.00 -0.86 0.00 0.00 30.24 29.22 2kts n GLN 106 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.06 175.15 2kts s THR 107 N -2.99 0.57 0.21 -0.39 -1.32 -1.26 -1.41 115.64 109.05 2kts s THR 107 Ca 0.00 -0.21 0.08 0.00 -1.21 0.00 0.00 61.69 60.35 2kts s THR 107 Cb 0.00 -0.54 -0.04 0.00 -1.51 0.00 0.00 72.50 70.41 2kts s THR 107 CO 0.00 0.20 -0.01 -0.76 -2.21 0.00 0.00 174.62 171.84 2kts s LEU 108 N 0.43 3.22 -0.49 9.08 2.01 -0.77 -2.61 118.68 129.56 2kts s LEU 108 Ca -0.06 -0.51 0.03 0.00 0.01 0.00 0.00 54.13 53.60 2kts s LEU 108 Cb -0.10 -1.83 0.14 0.00 0.01 0.00 0.00 46.19 44.42 2kts s LEU 108 CO 0.00 0.06 0.29 -0.89 1.01 0.00 0.00 176.35 176.81 2kts s THR 109 N -1.95 1.73 0.02 5.49 2.01 -1.04 -1.90 115.64 120.00 2kts s THR 109 Ca 0.28 -2.93 -0.17 0.00 0.31 0.00 0.00 61.69 59.18 2kts s THR 109 Cb -0.08 -2.19 -0.06 0.00 0.01 0.00 0.00 72.50 70.18 2kts s THR 109 CO 0.19 -0.92 0.48 -0.31 -0.69 0.00 0.00 174.62 173.36 2kts s TYR 110 N -0.03 3.74 0.01 4.92 2.02 -0.53 -3.10 117.35 124.39 2kts s TYR 110 Ca 0.20 1.10 -0.12 0.00 -0.37 0.00 0.00 57.07 57.88 2kts s TYR 110 Cb -0.20 -2.40 -0.05 0.00 -0.40 0.00 0.00 41.96 38.91 2kts s TYR 110 CO -0.04 0.58 0.36 0.21 -1.57 0.00 0.00 175.55 175.09 2kts s LYS 111 N -0.92 3.79 0.00 -0.62 2.47 -0.03 -0.69 119.74 123.74 2kts s LYS 111 Ca 0.26 0.25 -0.04 0.00 -1.56 0.00 0.00 55.97 54.88 2kts s LYS 111 Cb -0.18 -3.15 -0.20 0.00 -1.46 0.00 0.00 37.83 32.85 2kts s LYS 111 CO 0.15 0.66 2.81 -0.11 0.16 0.00 0.00 175.35 179.03 2kts n LEU 112 N 1.54 3.95 -4.42 5.43 7.94 -1.26 -1.30 117.00 128.89 2kts n LEU 112 Ca -0.13 -2.50 -0.43 0.00 -1.11 0.00 0.00 56.01 51.84 2kts n LEU 112 Cb 0.53 -1.06 0.00 0.00 0.53 0.00 0.00 43.42 43.41 2kts n LEU 112 CO 0.38 1.15 1.82 0.00 -1.11 0.00 0.00 177.39 179.63 2kts n ALA 113 N 2.59 3.97 -0.66 1.96 0.00 -1.26 -4.75 120.51 122.36 2kts n ALA 113 Ca 0.31 -4.03 0.09 0.00 0.00 0.00 0.00 53.44 49.81 2kts n ALA 113 Cb 0.68 -3.35 0.34 0.00 0.00 0.00 0.00 19.45 17.12 2kts n ALA 113 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2kts n ASP 114 N 6.86 4.65 0.00 0.00 5.75 -1.26 -4.61 116.55 127.94 2kts n ASP 114 Ca 0.44 -2.52 0.00 0.00 -0.01 0.00 0.00 54.79 52.71 2kts n ASP 114 Cb 0.43 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 2kts n ASP 114 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2kts n LEU 115 N 0.88 0.71 -4.36 -2.12 4.77 -1.26 -4.81 117.00 110.81 2kts n LEU 115 Ca 0.25 0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 55.77 2kts n LEU 115 Cb 0.89 -1.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.47 2kts n LEU 115 CO 0.23 -0.53 0.47 -0.32 -1.33 0.00 0.00 177.39 175.92 2kts s MET 116 N -1.05 3.40 0.00 3.23 1.75 -1.26 -5.26 119.30 120.11 2kts s MET 116 Ca 0.00 -2.01 0.12 0.00 -1.25 0.00 0.00 55.69 52.55 2kts s MET 116 Cb 0.00 -4.46 0.72 0.00 2.84 0.00 0.00 34.83 33.93 2kts s MET 116 CO 0.00 -1.43 1.15 0.09 -0.65 0.00 0.00 175.02 174.19