#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kts s VAL 2 N 0.00 2.85 0.14 1.12 0.11 -1.26 -5.05 120.40 118.31 2kts s VAL 2 Ca 0.00 0.64 0.02 0.00 -2.93 0.00 0.00 61.98 59.71 2kts s VAL 2 Cb 0.00 -3.33 -0.04 0.00 -1.53 0.00 0.00 36.38 31.48 2kts s VAL 2 CO 0.00 -0.00 -0.03 0.42 -3.33 0.00 0.00 175.10 172.16 2kts s THR 3 N -1.48 0.67 0.09 5.04 -4.23 -1.26 -4.87 115.64 109.61 2kts s THR 3 Ca 0.65 -1.96 -0.24 0.00 -1.18 0.00 0.00 61.69 58.96 2kts s THR 3 Cb -0.32 -1.94 -0.15 0.00 1.34 0.00 0.00 72.50 71.44 2kts s THR 3 CO 0.38 -0.64 1.72 1.55 -0.54 0.00 0.00 174.62 177.09 2kts h PRO 4 N 2.81 -0.13 -0.11 3.99 0.13 -1.97 -3.24 132.00 133.48 2kts h PRO 4 Ca -0.36 0.01 0.03 0.00 -0.87 0.00 0.00 66.00 64.81 2kts h PRO 4 Cb 1.19 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2kts h PRO 4 CO 0.63 -0.09 0.09 0.93 -0.23 0.00 0.00 178.00 179.33 2kts h GLU 5 N -0.13 0.00 0.00 0.86 5.08 -1.97 -0.04 114.58 118.38 2kts h GLU 5 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2kts h GLU 5 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2kts h GLU 5 CO 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.02 2kts n GLN 6 N -4.28 0.99 0.00 2.33 10.64 -1.22 -4.24 117.38 121.60 2kts n GLN 6 Ca -0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2kts n GLN 6 Cb 0.20 -1.05 0.00 0.00 -0.86 0.00 0.00 30.24 28.53 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 -0.55 0.00 0.24 2.61 4.77 -0.05 -4.62 117.00 119.40 2kts n LEU 7 Ca 0.02 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.13 2kts n LEU 7 Cb 0.01 -0.00 0.67 0.00 -2.33 0.00 0.00 43.42 41.77 2kts n LEU 7 CO 0.02 -0.18 0.96 1.56 -1.33 0.00 0.00 177.39 178.41 2kts h GLN 8 N 0.00 0.00 0.00 3.23 7.50 -1.67 -1.29 115.11 122.88 2kts h GLN 8 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2kts h GLN 8 Cb 0.64 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.17 2kts h GLN 8 CO 0.00 0.00 0.00 0.72 -1.50 0.00 0.00 178.83 178.05 2kts n HIS 9 N -2.48 0.00 -3.79 2.96 8.25 -1.26 -3.42 115.22 115.47 2kts n HIS 9 Ca -0.02 -0.31 -0.29 0.00 -0.26 0.00 0.00 57.72 56.85 2kts n HIS 9 Cb 0.23 -0.03 -0.16 0.00 1.12 0.00 0.00 29.99 31.15 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 -0.62 1.50 0.70 4.41 3.76 -0.49 -5.10 115.29 119.44 2kts s HIS 10 Ca 0.00 -1.22 -0.15 0.00 -0.15 0.00 0.00 55.06 53.53 2kts s HIS 10 Cb 0.00 -1.27 0.02 0.00 1.11 0.00 0.00 32.58 32.44 2kts s HIS 10 CO 0.00 -0.69 1.16 0.50 -0.85 0.00 0.00 174.74 174.86 2kts s ARG 11 N 1.70 2.44 0.13 1.40 3.52 -1.26 -4.56 118.95 122.31 2kts s ARG 11 Ca -0.01 1.60 0.04 0.00 -0.13 0.00 0.00 55.73 57.24 2kts s ARG 11 Cb -0.18 -1.89 -0.04 0.00 -1.56 0.00 0.00 34.95 31.29 2kts s ARG 11 CO -0.10 -1.57 -0.10 -0.06 -0.81 0.00 0.00 175.30 172.65 2kts s PHE 12 N -2.12 1.21 -0.03 5.12 0.40 -0.30 -4.21 117.98 118.05 2kts s PHE 12 Ca 0.71 -0.71 0.03 0.00 -0.60 0.00 0.00 56.93 56.37 2kts s PHE 12 Cb -0.25 -0.63 -0.00 0.00 0.51 0.00 0.00 43.02 42.64 2kts s PHE 12 CO 0.43 0.06 -0.13 0.54 0.70 0.00 0.00 175.22 176.82 2kts s VAL 13 N -2.94 1.07 -1.04 -0.44 0.11 -0.62 -0.85 120.40 115.70 2kts s VAL 13 Ca 0.12 -0.53 -0.23 0.00 -2.93 0.00 0.00 61.98 58.41 2kts s VAL 13 Cb 0.00 -0.93 -0.05 0.00 -1.53 0.00 0.00 36.38 33.88 2kts s VAL 13 CO 0.00 0.32 1.89 -0.22 -3.33 0.00 0.00 175.10 173.76 2kts s LEU 14 N 0.03 3.19 0.04 2.54 2.96 -1.14 -1.07 118.68 125.23 2kts s LEU 14 Ca -0.02 -1.22 -0.21 0.00 -0.22 0.00 0.00 54.13 52.47 2kts s LEU 14 Cb -0.09 -2.57 -0.14 0.00 0.50 0.00 0.00 46.19 43.89 2kts s LEU 14 CO 0.01 -2.67 1.41 -0.33 -1.32 0.00 0.00 176.35 173.45 2kts h GLU 15 N 10.35 0.28 -2.52 1.98 4.39 -1.88 -3.45 114.58 123.73 2kts h GLU 15 Ca 0.17 -0.11 -0.10 0.00 0.34 0.00 0.00 59.36 59.66 2kts h GLU 15 Cb 0.97 -0.01 -0.23 0.00 -0.10 0.00 0.00 28.75 29.38 2kts h GLU 15 CO 1.25 0.59 -0.12 -1.12 -1.16 0.00 0.00 179.01 178.45 2kts s SER 16 N -5.90 -0.52 0.46 1.42 0.01 -1.06 -4.25 113.70 103.86 2kts s SER 16 Ca -0.14 0.96 0.07 0.00 1.31 0.00 0.00 55.95 58.15 2kts s SER 16 Cb 0.05 0.98 0.02 0.00 0.21 0.00 0.00 66.02 67.29 2kts s SER 16 CO 0.73 -0.21 0.63 -0.69 0.41 0.00 0.00 173.24 174.11 2kts s VAL 17 N 0.14 2.84 0.24 3.43 1.01 -0.29 -1.54 120.40 126.23 2kts s VAL 17 Ca -0.01 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 60.91 2kts s VAL 17 Cb -0.03 -2.89 0.33 0.00 0.00 0.00 0.00 36.38 33.78 2kts s VAL 17 CO 0.01 0.00 1.60 -1.13 0.00 0.00 0.00 175.10 175.58 2kts h ASN 18 N 0.49 -0.73 0.00 3.32 -1.24 -1.88 -3.12 115.58 112.43 2kts h ASN 18 Ca -0.39 0.23 -0.00 0.00 0.71 0.00 0.00 56.30 56.85 2kts h ASN 18 Cb 1.28 0.48 0.00 0.00 0.73 0.00 0.00 38.32 40.82 2kts h ASN 18 CO 0.45 -0.26 -0.00 1.23 -1.29 0.00 0.00 177.43 177.56 2kts h GLY 19 N 0.00 -0.00 -2.71 1.57 0.00 -1.95 -3.50 103.07 96.47 2kts h GLY 19 Ca 0.38 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.45 2kts h GLY 19 CO -0.81 -0.00 -0.65 0.54 0.00 0.00 0.00 176.54 175.62 2kts s LYS 20 N -1.09 1.09 1.22 4.80 1.02 -1.18 -5.16 119.74 120.45 2kts s LYS 20 Ca -0.00 -1.54 -0.19 0.00 0.02 0.00 0.00 55.97 54.27 2kts s LYS 20 Cb 0.00 -0.07 0.29 0.00 -0.52 0.00 0.00 37.83 37.53 2kts s LYS 20 CO 0.00 -0.21 1.06 -1.25 -0.92 0.00 0.00 175.35 174.04 2kts s PRO 21 N -3.99 -1.39 0.18 -1.68 0.04 -1.26 -1.13 135.00 125.77 2kts s PRO 21 Ca 0.26 0.11 0.04 0.00 0.04 0.00 0.00 61.00 61.45 2kts s PRO 21 Cb 0.07 -1.56 -0.05 0.00 0.04 0.00 0.00 34.50 33.00 2kts s PRO 21 CO 0.05 -3.86 -0.06 0.54 0.04 0.00 0.00 177.00 173.71 2kts s VAL 22 N -2.80 1.11 -0.02 -0.36 0.11 -1.26 -4.82 120.40 112.36 2kts s VAL 22 Ca 0.70 -2.05 -0.03 0.00 -2.93 0.00 0.00 61.98 57.67 2kts s VAL 22 Cb -0.13 -2.05 0.00 0.00 -1.53 0.00 0.00 36.38 32.67 2kts s VAL 22 CO 0.57 -0.57 0.06 -0.89 -3.33 0.00 0.00 175.10 170.94 2kts s THR 23 N -3.37 0.02 -0.15 5.04 2.01 -1.26 -5.02 115.64 112.92 2kts s THR 23 Ca 0.22 -0.20 0.19 0.00 0.31 0.00 0.00 61.69 62.20 2kts s THR 23 Cb 0.04 -0.16 0.39 0.00 0.01 0.00 0.00 72.50 72.78 2kts s THR 23 CO 0.04 -0.11 1.18 -1.20 -0.69 0.00 0.00 174.62 173.84 2kts n SER 24 N 2.67 0.53 -3.68 3.53 7.64 -1.26 -5.01 113.62 118.04 2kts n SER 24 Ca -0.15 -2.04 -0.23 0.00 1.01 0.00 0.00 58.87 57.46 2kts n SER 24 Cb 0.58 -0.12 0.03 0.00 -1.01 0.00 0.00 64.21 63.69 2kts n SER 24 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2kts n ASP 25 N -0.30 -2.29 0.00 6.43 8.00 -1.26 -1.22 116.55 125.91 2kts n ASP 25 Ca -0.02 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.61 2kts n ASP 25 Cb 0.91 -3.93 0.00 0.00 -0.02 0.00 0.00 41.12 38.09 2kts n ASP 25 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2kts n LYS 26 N -4.18 -1.41 -2.76 -1.24 0.00 -1.26 -4.88 118.16 102.43 2kts n LYS 26 Ca -0.24 0.35 -0.31 0.00 0.00 0.00 0.00 58.31 58.10 2kts n LYS 26 Cb 0.66 -4.49 -0.02 0.00 0.00 0.00 0.00 35.03 31.18 2kts n LYS 26 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2kts n ASN 27 N -0.71 5.46 -4.66 3.14 3.02 -0.36 -5.09 115.26 116.06 2kts n ASN 27 Ca 0.00 -3.70 -0.29 0.00 -0.03 0.00 0.00 54.58 50.56 2kts n ASN 27 Cb 0.35 -0.74 0.14 0.00 -0.61 0.00 0.00 39.78 38.92 2kts n ASN 27 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2kts s PRO 28 N -3.75 1.14 -0.47 3.52 0.04 -1.26 -4.74 135.00 129.48 2kts s PRO 28 Ca 0.46 0.12 -0.14 0.00 0.04 0.00 0.00 61.00 61.48 2kts s PRO 28 Cb 0.28 -1.86 -0.14 0.00 0.04 0.00 0.00 34.50 32.82 2kts s PRO 28 CO -0.16 -2.16 1.69 -0.35 0.04 0.00 0.00 177.00 176.06 2kts n PRO 29 N -3.71 0.99 -1.24 0.56 -0.04 -1.26 -4.93 135.00 125.38 2kts n PRO 29 Ca 0.09 -1.24 -0.30 0.00 -0.04 0.00 0.00 63.50 62.01 2kts n PRO 29 Cb 0.60 -2.48 0.13 0.00 -0.04 0.00 0.00 33.50 31.70 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 4.99 1.42 0.02 0.54 -1.05 -1.26 -2.91 118.70 120.44 2kts s GLU 30 Ca 0.41 0.84 0.00 0.00 -0.15 0.00 0.00 54.97 56.07 2kts s GLU 30 Cb 0.10 -1.83 -0.02 0.00 -0.44 0.00 0.00 34.13 31.95 2kts s GLU 30 CO 0.10 -2.13 -0.02 -1.50 0.95 0.00 0.00 175.26 172.65 2kts s ILE 31 N -2.95 0.09 0.04 1.83 2.07 -0.03 -3.84 121.20 118.41 2kts s ILE 31 Ca 0.63 -0.70 0.00 0.00 -1.41 0.00 0.00 60.65 59.18 2kts s ILE 31 Cb -0.18 -0.21 -0.03 0.00 0.13 0.00 0.00 42.46 42.18 2kts s ILE 31 CO 0.57 -0.38 -0.04 -0.94 -1.91 0.00 0.00 174.94 172.23 2kts s SER 32 N -1.12 0.54 0.32 4.50 1.04 0.36 -1.15 113.70 118.20 2kts s SER 32 Ca -0.12 -0.72 0.05 0.00 0.48 0.00 0.00 55.95 55.63 2kts s SER 32 Cb -0.08 0.12 -0.06 0.00 0.10 0.00 0.00 66.02 66.10 2kts s SER 32 CO -0.01 -0.39 0.02 -0.36 0.98 0.00 0.00 173.24 173.47 2kts s PHE 33 N -2.46 2.03 0.00 5.02 0.08 -1.26 -0.99 117.98 120.39 2kts s PHE 33 Ca -0.04 -0.84 0.00 0.00 0.12 0.00 0.00 56.93 56.16 2kts s PHE 33 Cb -0.03 -1.30 0.00 0.00 -0.57 0.00 0.00 43.02 41.13 2kts s PHE 33 CO -0.04 0.15 0.00 0.41 -0.10 0.00 0.00 175.22 175.64 2kts n GLY 34 N -0.69 2.05 3.15 4.36 0.00 -0.98 -4.40 105.19 108.68 2kts n GLY 34 Ca -0.04 -1.18 -0.06 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.11 -1.03 -1.71 1.61 1.02 -1.26 -0.87 120.64 117.29 2kts n GLU 35 Ca 0.00 1.20 -0.11 0.00 -0.02 0.00 0.00 57.16 58.23 2kts n GLU 35 Cb 0.00 -1.91 -0.03 0.00 -0.02 0.00 0.00 31.44 29.48 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 0.96 -0.80 -1.60 3.49 5.02 -1.26 -2.84 118.16 121.13 2kts n LYS 36 Ca -0.01 0.73 -0.16 0.00 -2.02 0.00 0.00 58.31 56.85 2kts n LYS 36 Cb 0.45 -4.75 -0.06 0.00 -0.02 0.00 0.00 35.03 30.65 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 -2.40 -1.12 -1.08 1.97 1.56 -1.11 -4.69 117.12 110.25 2kts n MET 37 Ca -0.12 1.01 -0.32 0.00 -0.27 0.00 0.00 57.70 58.00 2kts n MET 37 Cb 0.46 -5.21 0.13 0.00 2.15 0.00 0.00 33.22 30.75 2kts n MET 37 CO 0.00 0.00 0.00 -1.64 -0.73 0.00 0.00 175.97 173.60 2kts s MET 38 N -3.58 1.64 -0.09 2.12 -1.94 -0.05 -2.34 119.30 115.06 2kts s MET 38 Ca 0.00 1.59 0.04 0.00 -1.71 0.00 0.00 55.69 55.61 2kts s MET 38 Cb 0.00 -1.79 -0.00 0.00 2.01 0.00 0.00 34.83 35.04 2kts s MET 38 CO 0.00 -2.17 -0.23 0.42 -0.01 0.00 0.00 175.02 173.03 2kts s ILE 39 N -2.40 2.18 -0.16 2.53 1.01 0.00 -2.33 121.20 122.04 2kts s ILE 39 Ca 0.69 -0.99 -0.00 0.00 0.00 0.00 0.00 60.65 60.35 2kts s ILE 39 Cb -0.25 -1.83 0.04 0.00 0.01 0.00 0.00 42.46 40.43 2kts s ILE 39 CO 0.52 0.56 -0.06 -0.44 0.00 0.00 0.00 174.94 175.52 2kts s SER 40 N 0.22 2.74 0.20 3.58 0.01 -0.16 -2.23 113.70 118.06 2kts s SER 40 Ca -0.15 -0.61 -0.21 0.00 1.31 0.00 0.00 55.95 56.29 2kts s SER 40 Cb -0.17 -0.91 0.08 0.00 0.21 0.00 0.00 66.02 65.23 2kts s SER 40 CO 0.07 -0.17 1.02 -0.83 0.41 0.00 0.00 173.24 173.75 2kts s GLY 41 N 1.64 0.16 -0.28 3.44 0.00 -1.25 -0.49 107.32 110.54 2kts s GLY 41 Ca 0.01 -0.40 0.02 0.00 0.00 0.00 0.00 44.72 44.35 2kts s GLY 41 CO -0.08 2.43 0.46 -1.35 0.00 0.00 0.00 173.10 174.57 2kts s SER 42 N -3.42 -0.27 0.07 1.64 1.04 -1.25 -2.50 113.70 109.01 2kts s SER 42 Ca 0.22 0.01 -0.17 0.00 0.48 0.00 0.00 55.95 56.49 2kts s SER 42 Cb -0.03 1.43 -0.13 0.00 0.10 0.00 0.00 66.02 67.39 2kts s SER 42 CO 0.06 -0.32 1.33 0.24 0.98 0.00 0.00 173.24 175.53 2kts h MET 43 N 8.11 0.57 0.00 4.02 2.86 -1.90 -3.39 114.93 125.21 2kts h MET 43 Ca -0.11 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 2kts h MET 43 Cb 1.15 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.85 2kts h MET 43 CO 0.24 0.97 0.00 0.00 1.06 0.00 0.00 176.91 179.19 2kts n ASN 45 N -1.70 0.71 -1.29 0.00 4.13 -1.26 -4.92 115.26 110.92 2kts n ASN 45 Ca 0.00 -1.85 0.12 0.00 1.68 0.00 0.00 54.58 54.54 2kts n ASN 45 Cb 0.00 -0.35 -0.07 0.00 -1.54 0.00 0.00 39.78 37.82 2kts n ASN 45 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2kts n ARG 46 N -0.09 -2.74 -3.98 3.52 5.12 -1.26 -0.58 116.66 116.64 2kts n ARG 46 Ca 0.00 2.24 -0.10 0.00 -1.93 0.00 0.00 57.85 58.06 2kts n ARG 46 Cb 0.18 -3.25 -0.04 0.00 -1.16 0.00 0.00 32.46 28.19 2kts n ARG 46 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 2kts s PHE 47 N -4.58 0.38 0.06 -1.55 -0.71 -1.04 -3.94 117.98 106.60 2kts s PHE 47 Ca 0.00 -0.76 -0.26 0.00 -1.04 0.00 0.00 56.93 54.86 2kts s PHE 47 Cb 0.00 0.25 0.09 0.00 -1.21 0.00 0.00 43.02 42.15 2kts s PHE 47 CO 0.00 -1.08 0.75 -1.54 -1.34 0.00 0.00 175.22 172.01 2kts s SER 48 N -3.04 -0.48 0.00 1.98 1.04 -1.06 -3.83 113.70 108.32 2kts s SER 48 Ca 0.22 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.72 2kts s SER 48 Cb -0.01 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.59 2kts s SER 48 CO 0.10 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.17 2kts n GLY 49 N -0.18 0.90 3.55 7.32 0.00 -0.95 -2.11 105.19 113.73 2kts n GLY 49 Ca -0.13 -0.90 -0.37 0.00 0.00 0.00 0.00 46.02 44.62 2kts n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kts s GLU 50 N -2.00 2.82 1.12 1.61 2.02 -1.26 -0.82 118.70 122.19 2kts s GLU 50 Ca 0.00 0.07 -0.18 0.00 0.02 0.00 0.00 54.97 54.88 2kts s GLU 50 Cb 0.00 -4.59 0.25 0.00 0.10 0.00 0.00 34.13 29.89 2kts s GLU 50 CO 0.00 -2.71 1.15 0.20 0.02 0.00 0.00 175.26 173.92 2kts s GLY 51 N 6.90 1.62 -0.14 -1.39 0.00 -0.99 -1.84 107.32 111.49 2kts s GLY 51 Ca 0.59 -0.91 -0.30 0.00 0.00 0.00 0.00 44.72 44.10 2kts s GLY 51 CO 0.12 -0.09 0.94 1.25 0.00 0.00 0.00 173.10 175.31 2kts s LYS 52 N -5.44 0.68 -0.24 2.90 2.20 -1.25 -4.43 119.74 114.16 2kts s LYS 52 Ca 0.70 0.15 -0.08 0.00 -0.36 0.00 0.00 55.97 56.38 2kts s LYS 52 Cb -0.10 0.32 0.10 0.00 -1.51 0.00 0.00 37.83 36.65 2kts s LYS 52 CO 0.55 -0.22 0.51 -1.17 -0.36 0.00 0.00 175.35 174.67 2kts s LEU 53 N -1.17 -0.82 -0.29 5.43 2.96 -1.26 -4.23 118.68 119.30 2kts s LEU 53 Ca -0.03 1.22 0.11 0.00 -0.22 0.00 0.00 54.13 55.21 2kts s LEU 53 Cb -0.00 1.73 0.35 0.00 0.50 0.00 0.00 46.19 48.77 2kts s LEU 53 CO 0.03 -0.23 1.41 -0.24 -1.32 0.00 0.00 176.35 176.00 2kts n SER 54 N 5.36 -1.29 0.01 3.68 2.88 -1.26 -4.51 113.62 118.49 2kts n SER 54 Ca -0.10 -2.07 0.00 0.00 -1.33 0.00 0.00 58.87 55.36 2kts n SER 54 Cb 0.50 0.60 0.00 0.00 -0.75 0.00 0.00 64.21 64.55 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 -1.33 -0.19 0.00 -3.46 6.94 -1.26 -5.03 115.26 110.93 2kts n ASN 55 Ca -0.16 0.09 0.00 0.00 -0.02 0.00 0.00 54.58 54.49 2kts n ASN 55 Cb 0.83 0.35 0.00 0.00 -2.36 0.00 0.00 39.78 38.60 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 -1.15 0.07 3.00 4.83 0.00 -1.26 -5.06 105.19 105.61 2kts n GLY 56 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 1.02 -0.75 1.61 2.12 -1.26 -1.67 118.70 119.77 2kts s GLU 57 Ca 0.00 -0.30 0.02 0.00 0.36 0.00 0.00 54.97 55.04 2kts s GLU 57 Cb 0.00 -0.94 0.18 0.00 0.26 0.00 0.00 34.13 33.63 2kts s GLU 57 CO 0.00 0.09 0.58 -1.17 -0.54 0.00 0.00 175.26 174.22 2kts s LEU 58 N 0.28 5.10 0.22 2.70 2.96 0.37 -4.50 118.68 125.81 2kts s LEU 58 Ca -0.05 -3.63 -0.26 0.00 -0.22 0.00 0.00 54.13 49.97 2kts s LEU 58 Cb -0.10 -1.76 -0.09 0.00 0.50 0.00 0.00 46.19 44.75 2kts s LEU 58 CO 0.01 -0.16 0.84 0.42 -1.32 0.00 0.00 176.35 176.14 2kts s THR 59 N -1.18 4.28 -0.31 3.68 -4.23 -1.26 -3.51 115.64 113.11 2kts s THR 59 Ca 0.24 1.79 -0.21 0.00 -1.18 0.00 0.00 61.69 62.33 2kts s THR 59 Cb -0.09 -4.14 -0.01 0.00 1.34 0.00 0.00 72.50 69.60 2kts s THR 59 CO -0.12 0.42 0.65 0.00 -0.54 0.00 0.00 174.62 175.03 2kts s ALA 60 N -1.28 3.52 -1.05 3.99 0.00 0.51 -4.15 121.76 123.31 2kts s ALA 60 Ca 0.40 -0.64 0.10 0.00 0.00 0.00 0.00 51.96 51.83 2kts s ALA 60 Cb -0.22 -3.13 0.45 0.00 0.00 0.00 0.00 23.12 20.22 2kts s ALA 60 CO 0.27 -1.12 1.32 1.17 0.00 0.00 0.00 175.76 177.40 2kts n LYS 61 N 5.94 0.02 0.00 0.00 4.81 -0.76 -4.74 118.16 123.43 2kts n LYS 61 Ca -0.00 0.31 0.00 0.00 -0.87 0.00 0.00 58.31 57.74 2kts n LYS 61 Cb 0.49 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.04 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 -0.43 2.14 3.46 3.14 0.00 -1.26 -4.97 105.19 107.27 2kts n GLY 62 Ca 0.03 0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 5.06 -0.44 0.99 2.96 -1.26 -4.41 118.68 121.58 2kts s LEU 63 Ca 0.00 -0.87 -0.18 0.00 -0.22 0.00 0.00 54.13 52.87 2kts s LEU 63 Cb 0.00 -2.32 0.03 0.00 0.50 0.00 0.00 46.19 44.41 2kts s LEU 63 CO 0.00 -0.61 0.48 0.00 -1.32 0.00 0.00 176.35 174.90 2kts s ALA 64 N 2.03 3.42 0.49 5.97 0.00 -0.90 -4.90 121.76 127.88 2kts s ALA 64 Ca 0.10 -1.59 0.04 0.00 0.00 0.00 0.00 51.96 50.50 2kts s ALA 64 Cb -0.19 -3.13 0.04 0.00 0.00 0.00 0.00 23.12 19.84 2kts s ALA 64 CO 0.11 -1.70 0.31 -1.33 0.00 0.00 0.00 175.76 173.16 2kts n MET 65 N 5.72 0.78 -3.43 0.00 2.81 -1.26 -2.55 117.12 119.19 2kts n MET 65 Ca -0.07 -3.13 -0.17 0.00 -1.81 0.00 0.00 57.70 52.52 2kts n MET 65 Cb 0.47 0.42 -0.04 0.00 -0.71 0.00 0.00 33.22 33.36 2kts n MET 65 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2kts n THR 66 N -1.58 0.00 -3.53 2.03 -2.24 0.25 -4.98 114.28 104.24 2kts n THR 66 Ca -0.05 -1.31 -0.27 0.00 -2.27 0.00 0.00 64.05 60.15 2kts n THR 66 Cb 0.57 0.31 -0.09 0.00 -2.10 0.00 0.00 70.33 69.02 2kts n THR 66 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2kts n ARG 67 N -0.65 1.85 -3.98 -0.78 -4.01 -1.26 -4.89 116.66 102.94 2kts n ARG 67 Ca -0.09 -4.28 -0.08 0.00 -1.04 0.00 0.00 57.85 52.36 2kts n ARG 67 Cb 0.35 -2.07 -0.09 0.00 -3.04 0.00 0.00 32.46 27.61 2kts n ARG 67 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2kts s MET 68 N -1.76 0.66 -0.14 2.89 0.23 -1.26 -5.16 119.30 114.76 2kts s MET 68 Ca 0.34 -1.01 -0.05 0.00 -1.03 0.00 0.00 55.69 53.94 2kts s MET 68 Cb 0.08 0.25 -0.04 0.00 -1.53 0.00 0.00 34.83 33.60 2kts s MET 68 CO -0.09 -0.16 0.04 -1.64 -2.03 0.00 0.00 175.02 171.14 2kts s MET 69 N -3.49 3.54 0.00 3.16 -1.94 -1.26 -4.71 119.30 114.60 2kts s MET 69 Ca 0.03 -0.36 0.22 0.00 -1.71 0.00 0.00 55.69 53.87 2kts s MET 69 Cb 0.04 -3.03 -0.09 0.00 2.01 0.00 0.00 34.83 33.76 2kts s MET 69 CO -0.09 0.48 1.02 0.00 -0.01 0.00 0.00 175.02 176.42 2kts n ALA 71 N -0.56 0.00 -1.77 0.00 0.00 -1.26 -4.95 120.51 111.96 2kts n ALA 71 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.12 2kts n ALA 71 Cb 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.85 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 0.00 6.52 0.02 0.00 2.47 -1.26 -4.94 114.94 117.74 2kts s ASN 72 Ca 0.00 2.51 -0.17 0.00 0.42 0.00 0.00 52.86 55.62 2kts s ASN 72 Cb 0.00 -2.63 -0.32 0.00 -1.45 0.00 0.00 41.25 36.85 2kts s ASN 72 CO 0.00 -0.69 1.02 1.55 -3.72 0.00 0.00 177.10 175.26 2kts h PRO 73 N 2.83 0.51 -0.46 0.43 0.13 -1.97 -3.27 132.00 130.20 2kts h PRO 73 Ca -0.49 -0.78 -0.01 0.00 -0.87 0.00 0.00 66.00 63.86 2kts h PRO 73 Cb 1.24 0.27 -0.02 0.00 0.13 0.00 0.00 31.00 32.62 2kts h PRO 73 CO 0.63 1.36 0.25 0.37 -0.23 0.00 0.00 178.00 180.38 2kts h GLN 74 N 0.06 0.64 -0.22 0.86 4.15 -1.98 -0.52 115.11 118.10 2kts h GLN 74 Ca -0.20 -0.07 0.06 0.00 0.77 0.00 0.00 58.65 59.21 2kts h GLN 74 Cb 1.91 -0.12 -0.06 0.00 0.21 0.00 0.00 27.48 29.41 2kts h GLN 74 CO 0.23 0.50 -0.21 -0.07 -1.93 0.00 0.00 178.83 177.35 2kts h LEU 75 N 0.60 -0.67 0.00 -2.39 4.07 -1.78 -1.95 115.31 113.19 2kts h LEU 75 Ca 0.16 0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.25 2kts h LEU 75 Cb 0.05 0.32 0.00 0.00 1.08 0.00 0.00 40.66 42.11 2kts h LEU 75 CO -0.03 -0.25 0.00 0.59 -1.08 0.00 0.00 178.44 177.67 2kts n ASN 76 N -5.36 0.00 -0.12 -0.43 3.02 -0.32 -1.87 115.26 110.18 2kts n ASN 76 Ca -0.01 -0.46 -0.17 0.00 -0.03 0.00 0.00 54.58 53.91 2kts n ASN 76 Cb 0.27 -0.04 -0.11 0.00 -0.61 0.00 0.00 39.78 39.29 2kts n ASN 76 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2kts n GLU 77 N -1.04 0.59 0.25 3.52 -0.58 -0.50 -4.58 120.64 118.29 2kts n GLU 77 Ca 0.13 0.14 0.12 0.00 -0.42 0.00 0.00 57.16 57.12 2kts n GLU 77 Cb 0.07 -1.47 0.63 0.00 -0.57 0.00 0.00 31.44 30.11 2kts n GLU 77 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2kts h LEU 78 N -0.03 0.00 -1.57 -4.62 4.07 -0.62 -2.75 115.31 109.79 2kts h LEU 78 Ca -0.53 0.00 0.05 0.00 0.08 0.00 0.00 57.88 57.48 2kts h LEU 78 Cb 1.81 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 43.51 2kts h LEU 78 CO -0.09 0.16 0.36 -2.24 -1.08 0.00 0.00 178.44 175.55 2kts h ASP 79 N 0.00 0.47 0.34 -0.43 2.03 -1.66 -0.32 116.42 116.85 2kts h ASP 79 Ca -0.00 -0.00 -0.33 0.00 -0.73 0.00 0.00 57.03 55.97 2kts h ASP 79 Cb 0.50 -0.10 -0.02 0.00 -0.83 0.00 0.00 39.33 38.88 2kts h ASP 79 CO 0.02 0.32 -1.72 0.78 -1.03 0.00 0.00 179.24 177.61 2kts h ASN 80 N 0.54 0.35 -0.04 4.15 2.35 -1.79 -3.14 115.58 118.01 2kts h ASN 80 Ca 0.23 -0.61 0.04 0.00 -0.55 0.00 0.00 56.30 55.41 2kts h ASN 80 Cb 0.21 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.41 2kts h ASN 80 CO -0.06 1.53 -0.33 0.74 -1.65 0.00 0.00 177.43 177.66 2kts h THR 81 N 0.06 0.29 -0.45 2.81 2.02 -1.31 -0.42 112.91 115.91 2kts h THR 81 Ca -0.31 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 66.77 2kts h THR 81 Cb 2.03 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.71 2kts h THR 81 CO 0.13 0.00 -0.11 -0.29 0.37 0.00 0.00 175.52 175.62 2kts h ILE 82 N -0.45 1.26 -0.06 3.11 6.09 -1.20 -0.61 117.51 125.65 2kts h ILE 82 Ca 0.07 -1.18 0.00 0.00 -1.37 0.00 0.00 64.86 62.38 2kts h ILE 82 Cb 0.56 1.03 -0.00 0.00 0.47 0.00 0.00 36.82 38.87 2kts h ILE 82 CO -0.30 0.41 0.03 0.28 -3.07 0.00 0.00 178.15 175.50 2kts h SER 83 N 0.74 0.04 -0.22 2.19 0.02 -1.42 -2.02 113.55 112.87 2kts h SER 83 Ca 0.12 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 2kts h SER 83 Cb 0.60 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 2kts h SER 83 CO 0.04 0.03 -0.01 -0.08 -1.14 0.00 0.00 176.83 175.67 2kts h GLU 84 N 0.06 0.40 0.12 3.45 4.81 -0.80 -2.23 114.58 120.39 2kts h GLU 84 Ca 0.02 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.13 2kts h GLU 84 Cb 0.00 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 2kts h GLU 84 CO -0.02 0.59 -0.13 0.52 -0.73 0.00 0.00 179.01 179.25 2kts h MET 85 N 0.16 -0.27 0.00 1.92 2.86 -1.07 -2.86 114.93 115.67 2kts h MET 85 Ca 0.06 0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.67 2kts h MET 85 Cb 0.42 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 2kts h MET 85 CO 0.01 -0.18 -0.23 -0.07 1.06 0.00 0.00 176.91 177.50 2kts h LEU 86 N -0.28 0.00 -0.16 1.22 -0.00 -1.38 -1.42 115.31 113.29 2kts h LEU 86 Ca 0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 2kts h LEU 86 Cb 0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.93 2kts h LEU 86 CO -0.04 0.23 -0.03 0.11 -0.00 0.00 0.00 178.44 178.70 2kts h LYS 87 N 0.00 0.31 0.06 1.13 1.57 -1.17 0.15 116.57 118.62 2kts h LYS 87 Ca -0.00 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2kts h LYS 87 Cb 0.94 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.23 2kts h LYS 87 CO 0.03 0.57 -0.03 0.93 -0.57 0.00 0.00 179.45 180.38 2kts h GLU 88 N 0.02 -0.08 0.00 3.15 5.08 -1.47 -3.43 114.58 117.86 2kts h GLU 88 Ca 0.04 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2kts h GLU 88 Cb 0.45 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2kts h GLU 88 CO 0.01 0.46 0.00 0.41 -1.00 0.00 0.00 179.01 178.90 2kts n GLY 89 N 0.52 2.04 3.72 -3.84 0.00 -0.55 -4.88 105.19 102.20 2kts n GLY 89 Ca -0.09 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 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 3.39 0.20 4.61 0.00 -1.13 -4.81 121.76 124.03 2kts s ALA 90 Ca 0.00 0.86 -0.31 0.00 0.00 0.00 0.00 51.96 52.50 2kts s ALA 90 Cb 0.00 -3.44 -0.11 0.00 0.00 0.00 0.00 23.12 19.57 2kts s ALA 90 CO 0.00 -0.42 1.61 -0.65 0.00 0.00 0.00 175.76 176.31 2kts s GLN 91 N 0.88 4.18 -0.15 0.00 -1.52 0.17 -0.48 119.66 122.74 2kts s GLN 91 Ca 0.58 2.46 0.01 0.00 -1.95 0.00 0.00 55.36 56.46 2kts s GLN 91 Cb -0.30 -3.11 0.01 0.00 -0.22 0.00 0.00 33.01 29.39 2kts s GLN 91 CO 0.30 -0.64 -0.19 0.54 -0.25 0.00 0.00 175.29 175.05 2kts s VAL 92 N 0.95 2.35 -0.00 1.09 0.11 -0.67 -2.08 120.40 122.14 2kts s VAL 92 Ca 0.70 -0.88 0.00 0.00 -2.93 0.00 0.00 61.98 58.88 2kts s VAL 92 Cb -0.46 -1.97 0.00 0.00 -1.53 0.00 0.00 36.38 32.43 2kts s VAL 92 CO 0.34 0.53 -0.01 -1.81 -3.33 0.00 0.00 175.10 170.82 2kts s ASP 93 N 0.87 0.21 -0.13 3.54 1.01 -0.56 -4.68 116.67 116.93 2kts s ASP 93 Ca -0.05 -0.03 -0.01 0.00 0.71 0.00 0.00 52.55 53.17 2kts s ASP 93 Cb -0.15 -0.04 0.04 0.00 1.01 0.00 0.00 42.92 43.77 2kts s ASP 93 CO -0.02 0.00 -0.01 -0.22 0.21 0.00 0.00 175.17 175.13 2kts s LEU 94 N 0.12 1.03 0.00 1.23 2.96 -1.26 -0.46 118.68 122.31 2kts s LEU 94 Ca -0.01 -0.44 0.00 0.00 -0.22 0.00 0.00 54.13 53.47 2kts s LEU 94 Cb -0.03 -0.63 0.00 0.00 0.50 0.00 0.00 46.19 46.04 2kts s LEU 94 CO -0.00 -0.21 0.00 0.41 -1.32 0.00 0.00 176.35 175.22 2kts n THR 95 N 5.04 0.00 -0.33 3.68 -1.04 -0.62 -4.61 114.28 116.40 2kts n THR 95 Ca -0.09 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.06 2kts n THR 95 Cb 0.49 -1.87 0.33 0.00 -1.82 0.00 0.00 70.33 67.46 2kts n THR 95 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kts h ALA 96 N -1.78 1.63 0.00 2.41 0.00 -2.05 -3.35 119.26 116.12 2kts h ALA 96 Ca 0.00 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2kts h ALA 96 Cb 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 2kts h ALA 96 CO 0.00 -0.20 -0.21 0.27 0.00 0.00 0.00 179.25 179.11 2kts n ASN 97 N -4.88 -0.22 -3.76 0.00 0.23 -1.26 -5.09 115.26 100.28 2kts n ASN 97 Ca 0.24 -1.46 -0.21 0.00 -0.53 0.00 0.00 54.58 52.62 2kts n ASN 97 Cb 0.64 0.04 -0.17 0.00 -2.08 0.00 0.00 39.78 38.21 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 0.00 0.38 -0.01 -3.83 0.74 -1.26 -3.08 119.66 112.60 2kts s GLN 98 Ca 0.02 0.16 -0.28 0.00 0.05 0.00 0.00 55.36 55.31 2kts s GLN 98 Cb 0.02 -0.73 -0.04 0.00 1.10 0.00 0.00 33.01 33.36 2kts s GLN 98 CO -0.01 -0.26 0.88 -1.17 -0.55 0.00 0.00 175.29 174.18 2kts s LEU 99 N 1.74 4.37 -0.24 3.68 2.96 -0.70 -1.58 118.68 128.91 2kts s LEU 99 Ca 0.01 1.51 0.00 0.00 -0.22 0.00 0.00 54.13 55.43 2kts s LEU 99 Cb -0.13 -3.40 0.04 0.00 0.50 0.00 0.00 46.19 43.20 2kts s LEU 99 CO -0.04 -0.18 -0.10 -0.89 -1.32 0.00 0.00 176.35 173.83 2kts s THR 100 N 0.76 2.48 -0.17 3.68 2.01 0.39 -1.44 115.64 123.35 2kts s THR 100 Ca 0.46 -1.22 -0.01 0.00 0.31 0.00 0.00 61.69 61.23 2kts s THR 100 Cb -0.20 -2.29 -0.00 0.00 0.01 0.00 0.00 72.50 70.02 2kts s THR 100 CO 0.25 0.18 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.47 2kts s LEU 101 N 1.24 2.56 0.05 4.42 2.01 -0.54 -1.49 118.68 126.93 2kts s LEU 101 Ca -0.02 -0.46 -0.00 0.00 0.01 0.00 0.00 54.13 53.66 2kts s LEU 101 Cb -0.17 -1.60 -0.04 0.00 0.01 0.00 0.00 46.19 44.39 2kts s LEU 101 CO -0.06 0.06 -0.04 0.00 1.01 0.00 0.00 176.35 177.32 2kts s ALA 102 N 0.99 0.55 0.38 4.21 0.00 -0.89 -1.06 121.76 125.95 2kts s ALA 102 Ca -0.02 -1.15 -0.09 0.00 0.00 0.00 0.00 51.96 50.71 2kts s ALA 102 Cb -0.15 0.23 0.04 0.00 0.00 0.00 0.00 23.12 23.24 2kts s ALA 102 CO -0.02 -0.31 0.66 2.41 0.00 0.00 0.00 175.76 178.50 2kts n THR 103 N 0.30 0.00 0.29 0.00 -1.04 -0.81 -0.65 114.28 112.36 2kts n THR 103 Ca -0.15 -1.40 0.13 0.00 -2.04 0.00 0.00 64.05 60.59 2kts n THR 103 Cb 0.60 1.06 0.84 0.00 -1.82 0.00 0.00 70.33 71.01 2kts n THR 103 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kts h ALA 104 N 2.03 1.60 -0.51 2.41 0.00 -1.94 -3.27 119.26 119.57 2kts h ALA 104 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2kts h ALA 104 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2kts h ALA 104 CO 0.41 0.02 0.00 1.63 0.00 0.00 0.00 179.25 181.31 2kts n LYS 105 N -3.97 0.00 -1.28 0.00 4.76 -1.26 -5.09 118.16 111.32 2kts n LYS 105 Ca -0.03 0.42 0.00 0.00 -2.87 0.00 0.00 58.31 55.83 2kts n LYS 105 Cb 0.10 -0.97 0.00 0.00 -1.84 0.00 0.00 35.03 32.32 2kts n LYS 105 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 2kts n GLN 106 N -1.75 0.00 -4.04 1.97 7.27 -1.24 -5.19 117.38 114.42 2kts n GLN 106 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 56.98 2kts n GLN 106 Cb 0.00 0.00 -0.09 0.00 2.41 0.00 0.00 30.24 32.56 2kts n GLN 106 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 2kts s THR 107 N -2.70 0.11 -0.14 1.69 -1.32 -1.26 -1.93 115.64 110.08 2kts s THR 107 Ca 0.00 -1.61 -0.10 0.00 -1.21 0.00 0.00 61.69 58.77 2kts s THR 107 Cb 0.00 -1.83 0.05 0.00 -1.51 0.00 0.00 72.50 69.21 2kts s THR 107 CO 0.00 -0.48 0.36 -0.76 -2.21 0.00 0.00 174.62 171.53 2kts s LEU 108 N -2.98 0.28 -0.24 9.08 1.43 -0.22 -2.51 118.68 123.52 2kts s LEU 108 Ca 0.17 0.76 -0.02 0.00 -1.03 0.00 0.00 54.13 54.02 2kts s LEU 108 Cb 0.06 1.20 0.02 0.00 0.03 0.00 0.00 46.19 47.49 2kts s LEU 108 CO -0.02 -0.16 -0.07 -0.89 0.23 0.00 0.00 176.35 175.44 2kts s THR 109 N 0.89 2.87 0.39 5.49 2.01 -0.59 -1.46 115.64 125.24 2kts s THR 109 Ca -0.06 -0.95 0.08 0.00 0.31 0.00 0.00 61.69 61.07 2kts s THR 109 Cb -0.06 -2.42 -0.02 0.00 0.01 0.00 0.00 72.50 70.01 2kts s THR 109 CO -0.07 0.26 0.34 -0.31 -0.69 0.00 0.00 174.62 174.15 2kts s TYR 110 N 1.34 2.76 0.02 4.92 1.51 -0.52 -2.56 117.35 124.81 2kts s TYR 110 Ca 0.01 -0.44 0.05 0.00 -1.01 0.00 0.00 57.07 55.68 2kts s TYR 110 Cb -0.16 -2.06 -0.02 0.00 -0.11 0.00 0.00 41.96 39.62 2kts s TYR 110 CO -0.05 -0.02 -0.14 0.21 -1.11 0.00 0.00 175.55 174.44 2kts s LYS 111 N -4.08 0.98 -0.87 -0.62 2.36 -0.23 -1.72 119.74 115.55 2kts s LYS 111 Ca 0.46 -0.65 -0.06 0.00 -2.55 0.00 0.00 55.97 53.16 2kts s LYS 111 Cb -0.04 -0.97 -0.05 0.00 -1.05 0.00 0.00 37.83 35.72 2kts s LYS 111 CO 0.27 0.25 2.05 -0.11 1.55 0.00 0.00 175.35 179.36 2kts n LEU 112 N 2.20 4.67 -4.48 5.43 7.94 -1.18 -1.59 117.00 129.99 2kts n LEU 112 Ca -0.17 -2.81 -0.43 0.00 -1.11 0.00 0.00 56.01 51.49 2kts n LEU 112 Cb 0.55 -1.07 -0.04 0.00 0.53 0.00 0.00 43.42 43.39 2kts n LEU 112 CO 0.23 0.48 0.70 0.00 -1.11 0.00 0.00 177.39 177.69 2kts s ALA 113 N 3.58 3.17 -0.32 1.96 0.00 -1.26 -4.86 121.76 124.03 2kts s ALA 113 Ca 0.39 -1.55 0.16 0.00 0.00 0.00 0.00 51.96 50.95 2kts s ALA 113 Cb 0.10 -3.74 0.47 0.00 0.00 0.00 0.00 23.12 19.95 2kts s ALA 113 CO -0.02 -2.50 1.06 -3.47 0.00 0.00 0.00 175.76 170.82 2kts n ASP 114 N 7.40 2.54 0.00 0.00 2.03 -1.26 -4.10 116.55 123.16 2kts n ASP 114 Ca -0.02 -2.84 0.00 0.00 0.52 0.00 0.00 54.79 52.46 2kts n ASP 114 Cb 0.46 -0.48 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 2kts n ASP 114 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2kts n LEU 115 N -0.38 0.86 -3.02 -2.67 4.77 -1.26 -2.08 117.00 113.22 2kts n LEU 115 Ca 0.19 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 56.02 2kts n LEU 115 Cb 0.80 -1.74 0.02 0.00 -2.33 0.00 0.00 43.42 40.17 2kts n LEU 115 CO 0.24 -0.64 -0.12 0.80 -1.33 0.00 0.00 177.39 176.34 2kts n MET 116 N -0.40 -2.31 0.00 3.23 0.00 -1.26 -5.29 117.12 111.10 2kts n MET 116 Ca 0.00 1.97 0.00 0.00 -0.00 0.00 0.00 57.70 59.67 2kts n MET 116 Cb 0.21 -4.52 0.00 0.00 0.00 0.00 0.00 33.22 28.91 2kts n MET 116 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26