#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 2.25 0.28 3.17 0.11 -1.26 -5.08 120.40 119.86 2kts s VAL 2 Ca 0.00 0.11 0.08 0.00 -2.93 0.00 0.00 61.98 59.24 2kts s VAL 2 Cb 0.00 -2.60 -0.06 0.00 -1.53 0.00 0.00 36.38 32.20 2kts s VAL 2 CO 0.00 -0.07 -0.09 0.42 -3.33 0.00 0.00 175.10 172.03 2kts s THR 3 N -2.10 1.82 0.27 5.04 -4.23 -1.26 -4.83 115.64 110.35 2kts s THR 3 Ca 0.73 -2.17 0.02 0.00 -1.18 0.00 0.00 61.69 59.09 2kts s THR 3 Cb -0.28 -2.42 0.06 0.00 1.34 0.00 0.00 72.50 71.21 2kts s THR 3 CO 0.48 -0.33 1.71 1.55 -0.54 0.00 0.00 174.62 177.49 2kts h PRO 4 N 2.27 0.50 0.19 3.99 0.13 -1.95 -3.32 132.00 133.82 2kts h PRO 4 Ca -0.40 -0.19 0.01 0.00 -0.87 0.00 0.00 66.00 64.55 2kts h PRO 4 Cb 1.24 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 2kts h PRO 4 CO 0.66 0.72 -0.26 1.49 -0.23 0.00 0.00 178.00 180.38 2kts h GLU 5 N 0.44 -0.49 0.00 0.86 4.81 -1.92 -0.36 114.58 117.92 2kts h GLU 5 Ca 0.06 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2kts h GLU 5 Cb 0.68 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.17 2kts h GLU 5 CO 0.05 -0.33 0.00 0.00 -0.73 0.00 0.00 179.01 178.00 2kts n GLN 6 N -5.38 0.19 0.01 1.92 10.64 -1.25 -2.79 117.38 120.72 2kts n GLN 6 Ca -0.08 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.09 2kts n GLN 6 Cb 0.29 -1.18 0.00 0.00 -0.86 0.00 0.00 30.24 28.49 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 -0.68 0.08 0.00 2.61 4.77 -0.88 -4.77 117.00 118.13 2kts n LEU 7 Ca 0.02 0.02 0.01 0.00 -0.03 0.00 0.00 56.01 56.03 2kts n LEU 7 Cb 0.01 -0.02 0.05 0.00 -2.33 0.00 0.00 43.42 41.13 2kts n LEU 7 CO 0.01 -0.16 0.45 0.00 -1.33 0.00 0.00 177.39 176.36 2kts n GLN 8 N -2.96 0.03 0.00 3.23 10.64 -0.20 -1.48 117.38 126.64 2kts n GLN 8 Ca 0.00 0.29 0.00 0.00 -1.83 0.00 0.00 57.00 55.46 2kts n GLN 8 Cb 0.37 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.25 2kts n GLN 8 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 2kts n HIS 9 N -1.31 0.00 -4.17 2.61 8.25 -1.25 -1.59 115.22 117.75 2kts n HIS 9 Ca 0.01 -0.37 -0.14 0.00 -0.26 0.00 0.00 57.72 56.95 2kts n HIS 9 Cb 0.02 -0.04 -0.11 0.00 1.12 0.00 0.00 29.99 30.98 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 -0.75 1.06 0.06 4.41 3.76 -0.55 -5.02 115.29 118.26 2kts s HIS 10 Ca 0.00 -0.64 -0.05 0.00 -0.15 0.00 0.00 55.06 54.21 2kts s HIS 10 Cb 0.00 -0.58 -0.05 0.00 1.11 0.00 0.00 32.58 33.06 2kts s HIS 10 CO 0.00 0.00 0.31 0.50 -0.85 0.00 0.00 174.74 174.70 2kts s ARG 11 N -2.72 3.59 0.23 1.40 3.52 -1.26 -2.61 118.95 121.10 2kts s ARG 11 Ca 0.05 -0.10 0.07 0.00 -0.13 0.00 0.00 55.73 55.62 2kts s ARG 11 Cb -0.03 -2.99 -0.05 0.00 -1.56 0.00 0.00 34.95 30.31 2kts s ARG 11 CO 0.00 0.58 -0.12 -0.06 -0.81 0.00 0.00 175.30 174.89 2kts s PHE 12 N -1.45 1.79 0.13 5.12 0.40 -0.28 -3.81 117.98 119.88 2kts s PHE 12 Ca 0.33 -0.61 0.06 0.00 -0.60 0.00 0.00 56.93 56.11 2kts s PHE 12 Cb -0.13 -0.89 -0.04 0.00 0.51 0.00 0.00 43.02 42.48 2kts s PHE 12 CO 0.21 0.34 -0.13 0.54 0.70 0.00 0.00 175.22 176.87 2kts s VAL 13 N -2.98 1.32 -0.67 -0.44 0.11 -0.87 -1.72 120.40 115.15 2kts s VAL 13 Ca 0.25 -1.77 -0.24 0.00 -2.93 0.00 0.00 61.98 57.28 2kts s VAL 13 Cb 0.00 -1.58 0.06 0.00 -1.53 0.00 0.00 36.38 33.33 2kts s VAL 13 CO 0.08 -0.46 1.05 -0.22 -3.33 0.00 0.00 175.10 172.22 2kts s LEU 14 N -2.57 4.03 -0.06 2.54 2.96 -1.23 -1.04 118.68 123.30 2kts s LEU 14 Ca 0.10 -0.78 -0.01 0.00 -0.22 0.00 0.00 54.13 53.22 2kts s LEU 14 Cb -0.04 -2.50 -0.26 0.00 0.50 0.00 0.00 46.19 43.89 2kts s LEU 14 CO 0.03 -1.53 0.59 -0.08 -1.32 0.00 0.00 176.35 174.04 2kts h GLU 15 N 9.66 0.20 -2.74 1.98 4.22 -1.84 -3.44 114.58 122.62 2kts h GLU 15 Ca -0.28 -0.34 -0.11 0.00 0.08 0.00 0.00 59.36 58.71 2kts h GLU 15 Cb 1.07 0.13 -0.21 0.00 0.50 0.00 0.00 28.75 30.23 2kts h GLU 15 CO 1.20 1.00 -0.18 -1.54 -2.18 0.00 0.00 179.01 177.31 2kts s SER 16 N -6.78 -0.36 0.46 1.04 1.04 -0.98 -4.06 113.70 104.06 2kts s SER 16 Ca -0.14 0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.77 2kts s SER 16 Cb 0.07 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.75 2kts s SER 16 CO 0.81 -0.36 0.00 0.52 0.98 0.00 0.00 173.24 175.19 2kts n VAL 17 N 1.80 0.00 0.00 5.02 0.31 0.29 -1.07 118.33 124.68 2kts n VAL 17 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 2kts n VAL 17 Cb 0.56 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 2kts n VAL 17 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2kts n ASN 18 N -1.39 0.00 0.00 4.52 5.15 -0.85 -4.23 115.26 118.46 2kts n ASN 18 Ca 0.00 0.28 0.00 0.00 -0.60 0.00 0.00 54.58 54.26 2kts n ASN 18 Cb 0.00 -0.28 0.00 0.00 -0.53 0.00 0.00 39.78 38.97 2kts n ASN 18 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kts n GLY 19 N -1.27 0.00 3.27 8.20 0.00 -1.26 -5.01 105.19 109.12 2kts n GLY 19 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 0.87 0.74 1.61 1.02 -1.26 -5.19 119.74 117.53 2kts s LYS 20 Ca 0.00 -0.55 -0.07 0.00 0.02 0.00 0.00 55.97 55.37 2kts s LYS 20 Cb 0.00 0.38 0.09 0.00 -0.52 0.00 0.00 37.83 37.78 2kts s LYS 20 CO 0.00 -0.29 1.05 -1.25 -0.92 0.00 0.00 175.35 173.93 2kts s PRO 21 N -2.83 1.89 -0.14 -1.68 0.04 -1.26 -0.55 135.00 130.47 2kts s PRO 21 Ca -0.03 -0.45 -0.00 0.00 0.04 0.00 0.00 61.00 60.56 2kts s PRO 21 Cb 0.00 -2.16 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 2kts s PRO 21 CO -0.05 -1.43 -0.14 0.08 0.04 0.00 0.00 177.00 175.50 2kts s VAL 22 N -3.30 2.86 -0.60 -0.36 1.01 -1.26 -4.75 120.40 114.00 2kts s VAL 22 Ca 0.63 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.80 2kts s VAL 22 Cb -0.09 -2.21 0.15 0.00 0.00 0.00 0.00 36.38 34.24 2kts s VAL 22 CO 0.46 0.52 0.48 0.42 0.00 0.00 0.00 175.10 176.97 2kts s THR 23 N 0.62 4.55 -0.28 3.92 -4.23 -1.26 -5.00 115.64 113.97 2kts s THR 23 Ca -0.08 -2.16 -0.21 0.00 -1.18 0.00 0.00 61.69 58.07 2kts s THR 23 Cb -0.16 -3.93 0.10 0.00 1.34 0.00 0.00 72.50 69.85 2kts s THR 23 CO 0.03 -0.87 0.83 -0.55 -0.54 0.00 0.00 174.62 173.52 2kts s SER 24 N 2.25 -0.70 0.00 3.99 0.15 -1.26 -4.98 113.70 113.15 2kts s SER 24 Ca 0.11 1.23 0.15 0.00 0.70 0.00 0.00 55.95 58.13 2kts s SER 24 Cb -0.22 1.27 0.03 0.00 -1.71 0.00 0.00 66.02 65.39 2kts s SER 24 CO -0.03 -0.20 0.84 0.47 1.20 0.00 0.00 173.24 175.52 2kts n ASP 25 N 3.24 1.71 -3.75 5.45 8.00 -1.26 -4.90 116.55 125.04 2kts n ASP 25 Ca -0.16 -1.35 -0.14 0.00 0.71 0.00 0.00 54.79 53.84 2kts n ASP 25 Cb 0.57 0.35 -0.15 0.00 -0.02 0.00 0.00 41.12 41.87 2kts n ASP 25 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2kts s LYS 26 N -1.62 0.07 -0.88 -1.24 1.02 -1.26 -4.95 119.74 110.89 2kts s LYS 26 Ca 0.13 0.35 -0.05 0.00 0.02 0.00 0.00 55.97 56.43 2kts s LYS 26 Cb 0.12 -0.20 0.00 0.00 -0.52 0.00 0.00 37.83 37.23 2kts s LYS 26 CO 0.32 -0.17 0.65 0.09 -0.92 0.00 0.00 175.35 175.31 2kts n ASN 27 N 4.27 -5.46 -4.21 2.83 5.03 -1.26 -4.94 115.26 111.52 2kts n ASN 27 Ca -0.26 -0.82 -0.29 0.00 0.87 0.00 0.00 54.58 54.09 2kts n ASN 27 Cb 0.51 -2.61 0.25 0.00 -1.02 0.00 0.00 39.78 36.91 2kts n ASN 27 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2kts s PRO 28 N -4.87 -1.26 -1.11 3.52 0.04 -1.26 -4.84 135.00 125.21 2kts s PRO 28 Ca 0.09 0.49 -0.10 0.00 0.04 0.00 0.00 61.00 61.52 2kts s PRO 28 Cb -0.04 -1.54 -0.07 0.00 0.04 0.00 0.00 34.50 32.89 2kts s PRO 28 CO 0.87 -3.86 2.29 -0.35 0.04 0.00 0.00 177.00 175.99 2kts n PRO 29 N -4.97 2.44 -1.98 0.56 -0.04 -1.25 -4.65 135.00 125.12 2kts n PRO 29 Ca 0.06 -1.81 -0.28 0.00 -0.04 0.00 0.00 63.50 61.43 2kts n PRO 29 Cb 0.57 -2.70 0.08 0.00 -0.04 0.00 0.00 33.50 31.42 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 3.37 2.04 -0.24 0.54 -1.05 -1.26 -3.57 118.70 118.53 2kts s GLU 30 Ca 0.50 0.03 -0.03 0.00 -0.15 0.00 0.00 54.97 55.32 2kts s GLU 30 Cb 0.13 -2.01 0.11 0.00 -0.44 0.00 0.00 34.13 31.93 2kts s GLU 30 CO -0.02 -1.49 0.26 -1.50 0.95 0.00 0.00 175.26 173.45 2kts s ILE 31 N -3.49 -0.36 -0.01 1.83 2.07 -0.70 -4.21 121.20 116.32 2kts s ILE 31 Ca 0.61 -0.28 -0.30 0.00 -1.41 0.00 0.00 60.65 59.28 2kts s ILE 31 Cb -0.11 -0.82 -0.03 0.00 0.13 0.00 0.00 42.46 41.63 2kts s ILE 31 CO 0.48 -0.32 0.96 -0.94 -1.91 0.00 0.00 174.94 173.21 2kts s SER 32 N 2.35 7.33 0.30 4.50 1.04 -1.19 -1.12 113.70 126.91 2kts s SER 32 Ca 0.08 1.62 -0.03 0.00 0.48 0.00 0.00 55.95 58.11 2kts s SER 32 Cb -0.15 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.37 2kts s SER 32 CO -0.21 -0.26 0.54 -0.36 0.98 0.00 0.00 173.24 173.92 2kts s PHE 33 N 1.07 3.49 -0.30 5.02 0.08 -1.07 -2.81 117.98 123.46 2kts s PHE 33 Ca 0.51 0.51 -0.14 0.00 0.12 0.00 0.00 56.93 57.93 2kts s PHE 33 Cb -0.21 -2.01 0.15 0.00 -0.57 0.00 0.00 43.02 40.39 2kts s PHE 33 CO 0.27 0.17 0.91 0.20 -0.10 0.00 0.00 175.22 176.67 2kts s GLY 34 N -3.46 -0.28 0.05 4.36 0.00 -1.05 -4.07 107.32 102.87 2kts s GLY 34 Ca 0.42 2.91 0.00 0.00 0.00 0.00 0.00 44.72 48.05 2kts s GLY 34 CO 0.32 3.05 0.00 -2.21 0.00 0.00 0.00 173.10 174.26 2kts n GLU 35 N 4.80 -2.71 0.00 2.90 0.00 -0.62 -3.67 120.64 121.33 2kts n GLU 35 Ca -0.12 2.19 0.00 0.00 0.00 0.00 0.00 57.16 59.23 2kts n GLU 35 Cb 0.53 -2.41 0.00 0.00 0.00 0.00 0.00 31.44 29.56 2kts n GLU 35 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2kts n LYS 36 N 0.94 0.00 0.00 5.31 5.02 -1.26 -0.70 118.16 127.46 2kts n LYS 36 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2kts n LYS 36 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2kts n LYS 36 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2kts n MET 37 N 0.00 0.00 -0.97 1.97 2.81 -1.26 -4.83 117.12 114.83 2kts n MET 37 Ca 0.00 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.56 2kts n MET 37 Cb 0.00 0.00 0.13 0.00 -0.71 0.00 0.00 33.22 32.64 2kts n MET 37 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 2kts n MET 38 N 0.00 -0.04 -4.44 0.03 2.81 0.12 -3.32 117.12 112.28 2kts n MET 38 Ca 0.00 0.06 -0.29 0.00 -1.81 0.00 0.00 57.70 55.66 2kts n MET 38 Cb 0.00 -2.21 -0.17 0.00 -0.71 0.00 0.00 33.22 30.13 2kts n MET 38 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2kts s ILE 39 N -2.26 1.57 -0.04 2.02 1.01 -0.34 -2.57 121.20 120.58 2kts s ILE 39 Ca 0.67 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 60.63 2kts s ILE 39 Cb -0.27 -1.43 0.03 0.00 0.01 0.00 0.00 42.46 40.80 2kts s ILE 39 CO 0.57 0.46 0.03 -0.94 0.00 0.00 0.00 174.94 175.05 2kts s SER 40 N 1.01 0.99 0.09 3.58 1.04 -1.12 -1.75 113.70 117.53 2kts s SER 40 Ca -0.06 0.01 -0.25 0.00 0.48 0.00 0.00 55.95 56.13 2kts s SER 40 Cb -0.15 -0.24 0.09 0.00 0.10 0.00 0.00 66.02 65.82 2kts s SER 40 CO -0.02 -0.19 1.15 -0.83 0.98 0.00 0.00 173.24 174.33 2kts s GLY 41 N 1.73 -0.02 -0.26 7.32 0.00 -0.88 -3.16 107.32 112.04 2kts s GLY 41 Ca -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 44.72 44.58 2kts s GLY 41 CO -0.03 3.50 0.46 -0.45 0.00 0.00 0.00 173.10 176.57 2kts s SER 42 N -3.53 -0.36 0.01 1.64 0.15 -1.26 -1.80 113.70 108.55 2kts s SER 42 Ca 0.24 0.47 -0.15 0.00 0.70 0.00 0.00 55.95 57.21 2kts s SER 42 Cb -0.01 1.50 -0.08 0.00 -1.71 0.00 0.00 66.02 65.72 2kts s SER 42 CO 0.02 -0.29 0.92 0.24 1.20 0.00 0.00 173.24 175.34 2kts h MET 43 N 8.12 -0.50 0.00 5.44 2.86 -1.87 -3.34 114.93 125.63 2kts h MET 43 Ca -0.21 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 2kts h MET 43 Cb 1.16 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.93 2kts h MET 43 CO 0.27 -0.34 0.00 0.00 1.06 0.00 0.00 176.91 177.90 2kts n ASN 45 N -3.30 0.51 -1.33 0.00 5.03 -1.26 -4.77 115.26 110.14 2kts n ASN 45 Ca 0.00 -1.72 0.16 0.00 0.87 0.00 0.00 54.58 53.88 2kts n ASN 45 Cb 0.00 -0.26 -0.07 0.00 -1.02 0.00 0.00 39.78 38.43 2kts n ASN 45 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2kts n ARG 46 N -0.16 -2.83 -3.68 3.52 1.74 -1.26 -0.43 116.66 113.56 2kts n ARG 46 Ca 0.00 2.22 -0.09 0.00 -0.77 0.00 0.00 57.85 59.22 2kts n ARG 46 Cb 0.13 -3.41 -0.02 0.00 -1.02 0.00 0.00 32.46 28.14 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 -3.87 -0.32 0.01 -1.55 -0.71 -0.75 -4.43 117.98 106.38 2kts s PHE 47 Ca 0.00 -0.03 -0.28 0.00 -1.04 0.00 0.00 56.93 55.57 2kts s PHE 47 Cb 0.00 0.65 0.10 0.00 -1.21 0.00 0.00 43.02 42.55 2kts s PHE 47 CO 0.00 -1.05 0.94 -1.54 -1.34 0.00 0.00 175.22 172.23 2kts s SER 48 N -2.84 -0.30 -0.03 1.98 1.04 -0.84 -2.08 113.70 110.63 2kts s SER 48 Ca 0.07 -0.09 -0.30 0.00 0.48 0.00 0.00 55.95 56.11 2kts s SER 48 Cb -0.04 0.38 0.12 0.00 0.10 0.00 0.00 66.02 66.58 2kts s SER 48 CO -0.01 -0.64 1.31 -0.83 0.98 0.00 0.00 173.24 174.05 2kts s GLY 49 N -2.57 -0.32 -0.90 7.32 0.00 -0.72 -0.71 107.32 109.43 2kts s GLY 49 Ca 0.07 0.48 -0.25 0.00 0.00 0.00 0.00 44.72 45.02 2kts s GLY 49 CO -0.06 2.30 1.42 -0.54 0.00 0.00 0.00 173.10 176.21 2kts s GLU 50 N -2.21 3.37 0.88 2.90 2.02 -1.26 -1.20 118.70 123.21 2kts s GLU 50 Ca 0.20 -0.70 -0.11 0.00 0.02 0.00 0.00 54.97 54.38 2kts s GLU 50 Cb 0.03 -4.87 0.12 0.00 0.10 0.00 0.00 34.13 29.51 2kts s GLU 50 CO -0.03 -2.25 1.09 0.20 0.02 0.00 0.00 175.26 174.29 2kts s GLY 51 N 4.71 1.62 -0.06 -1.39 0.00 -1.21 -4.11 107.32 106.89 2kts s GLY 51 Ca 0.43 -0.02 -0.30 0.00 0.00 0.00 0.00 44.72 44.84 2kts s GLY 51 CO 0.01 0.45 0.76 1.25 0.00 0.00 0.00 173.10 175.58 2kts s LYS 52 N -4.92 0.95 -0.12 2.90 2.20 -1.21 -4.43 119.74 115.10 2kts s LYS 52 Ca 0.63 0.14 -0.09 0.00 -0.36 0.00 0.00 55.97 56.29 2kts s LYS 52 Cb -0.18 0.45 0.04 0.00 -1.51 0.00 0.00 37.83 36.63 2kts s LYS 52 CO 0.57 -0.31 0.31 -1.17 -0.36 0.00 0.00 175.35 174.39 2kts s LEU 53 N -1.36 0.51 0.00 5.43 2.96 -1.26 -3.67 118.68 121.28 2kts s LEU 53 Ca -0.07 0.66 0.00 0.00 -0.22 0.00 0.00 54.13 54.50 2kts s LEU 53 Cb -0.00 1.04 0.00 0.00 0.50 0.00 0.00 46.19 47.72 2kts s LEU 53 CO 0.05 -0.14 0.14 -0.24 -1.32 0.00 0.00 176.35 174.84 2kts n SER 54 N 3.56 0.00 0.00 3.68 2.88 -1.26 -4.32 113.62 118.16 2kts n SER 54 Ca -0.19 -1.02 0.00 0.00 -1.33 0.00 0.00 58.87 56.33 2kts n SER 54 Cb 0.56 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 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 0.00 0.00 -3.46 0.23 -1.26 -5.02 115.26 105.75 2kts n ASN 55 Ca 0.00 -0.80 0.00 0.00 -0.53 0.00 0.00 54.58 53.25 2kts n ASN 55 Cb 0.50 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.20 2kts n ASN 55 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2kts n GLY 56 N 0.00 0.66 3.35 4.83 0.00 -1.26 -5.11 105.19 107.66 2kts n GLY 56 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.63 1.97 -0.17 1.61 2.12 -1.26 -1.52 118.70 120.82 2kts s GLU 57 Ca 0.00 -1.02 0.00 0.00 0.36 0.00 0.00 54.97 54.32 2kts s GLU 57 Cb 0.00 -2.04 0.01 0.00 0.26 0.00 0.00 34.13 32.35 2kts s GLU 57 CO 0.00 0.54 -0.17 -1.17 -0.54 0.00 0.00 175.26 173.92 2kts s LEU 58 N -1.03 2.35 0.36 2.70 2.96 0.37 -4.36 118.68 122.03 2kts s LEU 58 Ca 0.11 -0.54 0.08 0.00 -0.22 0.00 0.00 54.13 53.56 2kts s LEU 58 Cb -0.10 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 2kts s LEU 58 CO 0.01 0.04 0.23 0.42 -1.32 0.00 0.00 176.35 175.74 2kts s THR 59 N 1.06 3.08 -0.48 3.68 -4.23 -1.24 -0.72 115.64 116.78 2kts s THR 59 Ca -0.01 -1.53 0.03 0.00 -1.18 0.00 0.00 61.69 59.00 2kts s THR 59 Cb -0.14 -3.05 0.15 0.00 1.34 0.00 0.00 72.50 70.79 2kts s THR 59 CO -0.05 -0.14 0.30 0.00 -0.54 0.00 0.00 174.62 174.20 2kts s ALA 60 N -2.41 2.32 -0.68 3.99 0.00 0.09 -3.28 121.76 121.80 2kts s ALA 60 Ca 0.41 -2.80 -0.27 0.00 0.00 0.00 0.00 51.96 49.30 2kts s ALA 60 Cb -0.03 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.21 2kts s ALA 60 CO 0.25 -2.05 1.57 0.21 0.00 0.00 0.00 175.76 175.74 2kts s LYS 61 N -0.03 2.91 0.00 0.00 2.20 -1.26 -3.69 119.74 119.86 2kts s LYS 61 Ca 0.22 0.19 0.00 0.00 -0.36 0.00 0.00 55.97 56.02 2kts s LYS 61 Cb -0.16 -4.29 0.00 0.00 -1.51 0.00 0.00 37.83 31.88 2kts s LYS 61 CO -0.06 -2.44 0.00 0.41 -0.36 0.00 0.00 175.35 172.89 2kts n GLY 62 N 5.54 0.83 3.63 5.54 0.00 -1.26 -4.68 105.19 114.80 2kts n GLY 62 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 1.52 0.08 0.99 2.96 -1.24 -4.06 118.68 118.92 2kts s LEU 63 Ca 0.00 1.34 -0.05 0.00 -0.22 0.00 0.00 54.13 55.20 2kts s LEU 63 Cb 0.00 -3.49 -0.02 0.00 0.50 0.00 0.00 46.19 43.18 2kts s LEU 63 CO 0.00 -3.35 0.09 0.00 -1.32 0.00 0.00 176.35 171.77 2kts s ALA 64 N -2.82 0.21 0.05 5.97 0.00 0.11 -4.94 121.76 120.34 2kts s ALA 64 Ca 0.66 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 51.64 2kts s ALA 64 Cb -0.20 0.46 0.00 0.00 0.00 0.00 0.00 23.12 23.38 2kts s ALA 64 CO 0.59 -0.46 0.09 -1.33 0.00 0.00 0.00 175.76 174.65 2kts n MET 65 N -0.00 0.12 -0.97 0.00 2.81 -1.26 -1.98 117.12 115.83 2kts n MET 65 Ca -0.13 -0.37 0.00 0.00 -1.81 0.00 0.00 57.70 55.39 2kts n MET 65 Cb 0.62 0.39 0.00 0.00 -0.71 0.00 0.00 33.22 33.52 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 -0.08 0.00 -2.65 2.03 -2.24 0.43 -4.99 114.28 106.78 2kts n THR 66 Ca -0.00 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.55 2kts n THR 66 Cb 0.08 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.31 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 0.00 2.80 -3.78 -0.78 -4.01 -1.26 -4.84 116.66 104.79 2kts n ARG 67 Ca 0.00 -4.26 -0.20 0.00 -1.04 0.00 0.00 57.85 52.34 2kts n ARG 67 Cb 0.00 -2.02 -0.02 0.00 -3.04 0.00 0.00 32.46 27.38 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 -3.38 3.06 0.18 2.89 0.23 -1.26 -5.11 119.30 115.91 2kts s MET 68 Ca 0.44 -1.03 0.09 0.00 -1.03 0.00 0.00 55.69 54.15 2kts s MET 68 Cb 0.39 -2.71 -0.04 0.00 -1.53 0.00 0.00 34.83 30.94 2kts s MET 68 CO -0.13 0.21 -0.19 -1.64 -2.03 0.00 0.00 175.02 171.25 2kts s MET 69 N -4.03 1.32 0.28 3.16 -1.94 -1.26 -4.01 119.30 112.83 2kts s MET 69 Ca 0.39 -1.45 0.11 0.00 -1.71 0.00 0.00 55.69 53.03 2kts s MET 69 Cb -0.08 -1.39 -0.05 0.00 2.01 0.00 0.00 34.83 35.32 2kts s MET 69 CO 0.28 0.28 -0.09 0.00 -0.01 0.00 0.00 175.02 175.48 2kts n ALA 71 N -0.77 2.43 -2.80 0.00 0.00 -1.26 -4.82 120.51 113.29 2kts n ALA 71 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.24 2kts n ALA 71 Cb 0.60 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.92 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 -0.37 0.67 -0.04 0.00 3.84 -1.26 -5.08 114.94 112.71 2kts s ASN 72 Ca 0.00 -0.26 -0.24 0.00 0.21 0.00 0.00 52.86 52.58 2kts s ASN 72 Cb 0.00 -0.03 -0.18 0.00 -0.55 0.00 0.00 41.25 40.49 2kts s ASN 72 CO 0.00 -0.04 1.03 1.55 -2.79 0.00 0.00 177.10 176.86 2kts h PRO 73 N 5.47 -0.14 -0.53 0.43 0.13 -1.99 -3.22 132.00 132.14 2kts h PRO 73 Ca -0.31 0.01 0.04 0.00 -0.87 0.00 0.00 66.00 64.87 2kts h PRO 73 Cb 1.20 0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 2kts h PRO 73 CO 0.47 0.34 0.29 0.37 -0.23 0.00 0.00 178.00 179.24 2kts h GLN 74 N -0.74 0.56 -0.85 0.86 4.15 -1.98 -0.73 115.11 116.38 2kts h GLN 74 Ca -0.02 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 2kts h GLN 74 Cb 0.55 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 28.07 2kts h GLN 74 CO 0.03 0.37 0.48 -0.07 -1.93 0.00 0.00 178.83 177.70 2kts h LEU 75 N 0.57 1.05 0.04 -2.39 3.38 -1.88 0.20 115.31 116.28 2kts h LEU 75 Ca 0.23 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2kts h LEU 75 Cb 0.09 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2kts h LEU 75 CO -0.13 0.83 -0.02 0.78 0.09 0.00 0.00 178.44 179.99 2kts h ASN 76 N 1.18 -0.04 -0.79 -0.43 2.35 -1.42 -2.92 115.58 113.51 2kts h ASN 76 Ca 0.30 -0.21 0.15 0.00 -0.55 0.00 0.00 56.30 55.99 2kts h ASN 76 Cb 0.00 0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.33 2kts h ASN 76 CO -0.05 0.19 0.52 -0.08 -1.65 0.00 0.00 177.43 176.36 2kts h GLU 77 N -0.27 0.45 0.00 0.81 4.81 -0.66 -2.35 114.58 117.36 2kts h GLU 77 Ca -0.01 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2kts h GLU 77 Cb 0.25 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 2kts h GLU 77 CO 0.01 0.29 -0.05 -0.07 -0.73 0.00 0.00 179.01 178.46 2kts h LEU 78 N 0.46 0.00 -0.61 1.64 4.07 -0.42 -2.35 115.31 118.10 2kts h LEU 78 Ca 0.39 0.00 0.09 0.00 0.08 0.00 0.00 57.88 58.44 2kts h LEU 78 Cb 0.86 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.53 2kts h LEU 78 CO -0.14 0.05 0.25 -2.24 -1.08 0.00 0.00 178.44 175.29 2kts h ASP 79 N 0.00 0.28 0.07 -0.43 3.04 -1.35 -0.13 116.42 117.90 2kts h ASP 79 Ca -0.00 0.07 -0.14 0.00 -3.24 0.00 0.00 57.03 53.72 2kts h ASP 79 Cb 0.73 0.03 -0.03 0.00 -1.04 0.00 0.00 39.33 39.03 2kts h ASP 79 CO 0.01 0.17 -2.07 -0.46 -2.04 0.00 0.00 179.24 174.85 2kts n ASN 80 N -4.96 0.07 0.30 4.15 0.23 -1.18 -2.57 115.26 111.30 2kts n ASN 80 Ca 0.08 0.03 -0.17 0.00 -0.53 0.00 0.00 54.58 54.00 2kts n ASN 80 Cb 0.25 1.50 -0.08 0.00 -2.08 0.00 0.00 39.78 39.37 2kts n ASN 80 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 2kts h THR 81 N 0.00 0.24 -0.48 5.53 2.02 -1.37 -3.19 112.91 115.65 2kts h THR 81 Ca -0.20 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 66.89 2kts h THR 81 Cb 1.46 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 2kts h THR 81 CO 0.01 0.00 -0.08 -0.29 0.37 0.00 0.00 175.52 175.53 2kts h ILE 82 N -0.86 1.26 -0.43 3.11 6.09 -1.08 -2.49 117.51 123.11 2kts h ILE 82 Ca -0.06 -1.16 0.04 0.00 -1.37 0.00 0.00 64.86 62.31 2kts h ILE 82 Cb 0.73 0.98 -0.04 0.00 0.47 0.00 0.00 36.82 38.95 2kts h ILE 82 CO 0.02 0.40 0.20 -1.28 -3.07 0.00 0.00 178.15 174.42 2kts h SER 83 N 0.78 0.26 0.48 2.19 0.87 -1.56 -0.49 113.55 116.09 2kts h SER 83 Ca 0.13 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2kts h SER 83 Cb 0.58 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 2kts h SER 83 CO 0.04 0.19 -0.04 -0.62 -0.53 0.00 0.00 176.83 175.87 2kts n GLU 84 N -4.94 0.53 0.00 2.24 1.02 -1.16 -0.87 120.64 117.45 2kts n GLU 84 Ca 0.03 -0.07 0.13 0.00 -0.02 0.00 0.00 57.16 57.23 2kts n GLU 84 Cb 0.13 -1.50 0.38 0.00 -0.02 0.00 0.00 31.44 30.43 2kts n GLU 84 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2kts n MET 85 N -1.17 0.99 -0.04 3.49 2.81 -0.28 -4.06 117.12 118.86 2kts n MET 85 Ca 0.15 -0.60 -0.04 0.00 -1.81 0.00 0.00 57.70 55.40 2kts n MET 85 Cb 0.25 -1.49 -0.05 0.00 -0.71 0.00 0.00 33.22 31.22 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 -0.48 0.70 -0.03 4.03 7.99 -0.70 -3.12 117.00 125.39 2kts n LEU 86 Ca 0.13 -0.01 -0.13 0.00 -0.01 0.00 0.00 56.01 55.99 2kts n LEU 86 Cb 0.36 0.06 -0.10 0.00 -0.11 0.00 0.00 43.42 43.62 2kts n LEU 86 CO 0.24 0.28 0.57 0.11 -1.51 0.00 0.00 177.39 177.08 2kts h LYS 87 N 0.00 0.05 -0.00 3.23 1.57 -1.21 0.28 116.57 120.49 2kts h LYS 87 Ca -0.19 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2kts h LYS 87 Cb 1.40 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.72 2kts h LYS 87 CO 0.00 0.64 -0.01 0.39 -0.57 0.00 0.00 179.45 179.90 2kts n GLU 88 N -4.75 0.70 -0.93 3.15 -0.58 -1.26 -4.80 120.64 112.18 2kts n GLU 88 Ca -0.09 -0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 2kts n GLU 88 Cb 0.33 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 2kts n GLU 88 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kts n GLY 89 N 1.18 -2.09 3.83 0.62 0.00 -1.24 -5.05 105.19 102.44 2kts n GLY 89 Ca 0.18 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 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 3.05 0.32 4.61 0.00 0.10 -4.85 121.76 124.99 2kts s ALA 90 Ca 0.00 0.30 -0.28 0.00 0.00 0.00 0.00 51.96 51.98 2kts s ALA 90 Cb 0.00 -3.14 -0.09 0.00 0.00 0.00 0.00 23.12 19.89 2kts s ALA 90 CO 0.00 -0.07 1.11 -0.65 0.00 0.00 0.00 175.76 176.15 2kts s GLN 91 N -3.63 4.45 -0.23 0.00 -1.52 0.47 -0.48 119.66 118.72 2kts s GLN 91 Ca 0.61 1.77 -0.00 0.00 -1.95 0.00 0.00 55.36 55.78 2kts s GLN 91 Cb -0.10 -2.98 0.06 0.00 -0.22 0.00 0.00 33.01 29.77 2kts s GLN 91 CO 0.22 0.05 -0.01 0.54 -0.25 0.00 0.00 175.29 175.85 2kts s VAL 92 N -1.29 1.17 -0.61 1.09 0.11 -0.58 -1.96 120.40 118.33 2kts s VAL 92 Ca 0.49 -1.06 0.06 0.00 -2.93 0.00 0.00 61.98 58.53 2kts s VAL 92 Cb -0.30 -1.57 0.21 0.00 -1.53 0.00 0.00 36.38 33.19 2kts s VAL 92 CO 0.39 -0.20 0.57 0.47 -3.33 0.00 0.00 175.10 172.99 2kts n ASP 93 N 4.79 2.52 -4.67 3.54 8.00 -0.28 -4.74 116.55 125.71 2kts n ASP 93 Ca -0.10 -3.13 -0.43 0.00 0.71 0.00 0.00 54.79 51.85 2kts n ASP 93 Cb 0.45 -0.69 -0.02 0.00 -0.02 0.00 0.00 41.12 40.84 2kts n ASP 93 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2kts s LEU 94 N -1.60 4.18 0.00 0.64 2.96 -1.26 -2.16 118.68 121.44 2kts s LEU 94 Ca 0.32 1.59 0.00 0.00 -0.22 0.00 0.00 54.13 55.82 2kts s LEU 94 Cb 0.06 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.20 2kts s LEU 94 CO -0.11 -0.66 0.00 0.41 -1.32 0.00 0.00 176.35 174.66 2kts n THR 95 N 5.13 0.00 -0.32 3.68 -1.04 -0.26 -4.63 114.28 116.84 2kts n THR 95 Ca 0.12 0.00 0.17 0.00 -2.04 0.00 0.00 64.05 62.31 2kts n THR 95 Cb 0.46 -1.67 0.42 0.00 -1.82 0.00 0.00 70.33 67.72 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 -1.31 1.96 0.00 2.41 0.00 -2.04 -3.31 119.26 116.97 2kts h ALA 96 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2kts h ALA 96 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2kts h ALA 96 CO 0.00 -0.33 -0.06 0.27 0.00 0.00 0.00 179.25 179.14 2kts n ASN 97 N -4.68 0.00 -3.74 0.00 0.23 -1.26 -5.07 115.26 100.74 2kts n ASN 97 Ca 0.23 -1.11 -0.24 0.00 -0.53 0.00 0.00 54.58 52.93 2kts n ASN 97 Cb 0.70 -0.02 -0.17 0.00 -2.08 0.00 0.00 39.78 38.20 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 0.52 -0.24 -3.83 0.74 -1.25 -1.11 119.66 114.49 2kts s GLN 98 Ca 0.00 -0.01 -0.29 0.00 0.05 0.00 0.00 55.36 55.11 2kts s GLN 98 Cb 0.00 -1.27 0.00 0.00 1.10 0.00 0.00 33.01 32.84 2kts s GLN 98 CO 0.00 -0.41 1.20 -1.17 -0.55 0.00 0.00 175.29 174.35 2kts s LEU 99 N 1.98 4.04 -0.48 3.68 2.96 -0.24 -1.10 118.68 129.51 2kts s LEU 99 Ca 0.03 1.38 -0.19 0.00 -0.22 0.00 0.00 54.13 55.13 2kts s LEU 99 Cb -0.14 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.06 2kts s LEU 99 CO -0.06 -0.86 0.58 -0.89 -1.32 0.00 0.00 176.35 173.81 2kts s THR 100 N 3.72 4.92 -0.32 3.68 2.01 -0.92 -1.80 115.64 126.93 2kts s THR 100 Ca 0.51 -0.42 -0.16 0.00 0.31 0.00 0.00 61.69 61.93 2kts s THR 100 Cb -0.17 -4.24 -0.02 0.00 0.01 0.00 0.00 72.50 68.08 2kts s THR 100 CO 0.15 -0.71 0.43 -0.76 -0.69 0.00 0.00 174.62 173.05 2kts s LEU 101 N 2.52 4.27 -0.02 4.42 2.01 -1.13 -1.13 118.68 129.62 2kts s LEU 101 Ca 0.15 0.04 0.05 0.00 0.01 0.00 0.00 54.13 54.38 2kts s LEU 101 Cb -0.18 -2.47 -0.01 0.00 0.01 0.00 0.00 46.19 43.53 2kts s LEU 101 CO 0.13 -0.34 -0.17 0.00 1.01 0.00 0.00 176.35 176.97 2kts s ALA 102 N 2.19 1.44 0.28 4.21 0.00 -0.83 -0.95 121.76 128.10 2kts s ALA 102 Ca 0.16 -0.73 -0.15 0.00 0.00 0.00 0.00 51.96 51.23 2kts s ALA 102 Cb -0.16 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.59 2kts s ALA 102 CO 0.12 0.34 0.60 0.99 0.00 0.00 0.00 175.76 177.80 2kts s THR 103 N -0.35 0.00 0.43 0.00 2.01 -0.94 -0.40 115.64 116.39 2kts s THR 103 Ca 0.05 -1.24 0.35 0.00 0.31 0.00 0.00 61.69 61.16 2kts s THR 103 Cb -0.07 -2.25 0.37 0.00 0.01 0.00 0.00 72.50 70.56 2kts s THR 103 CO -0.00 0.00 2.16 0.00 -0.69 0.00 0.00 174.62 176.09 2kts h ALA 104 N 2.13 1.14 -1.58 7.40 0.00 -1.90 -3.23 119.26 123.22 2kts h ALA 104 Ca -0.25 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2kts h ALA 104 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2kts h ALA 104 CO 0.32 0.06 0.00 1.63 0.00 0.00 0.00 179.25 181.26 2kts n LYS 105 N -3.34 0.00 -4.11 0.00 4.76 -1.26 -5.04 118.16 109.17 2kts n LYS 105 Ca -0.02 0.24 -0.15 0.00 -2.87 0.00 0.00 58.31 55.51 2kts n LYS 105 Cb 0.19 -1.05 -0.04 0.00 -1.84 0.00 0.00 35.03 32.29 2kts n LYS 105 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2kts s GLN 106 N -1.39 1.90 0.16 1.97 -0.21 -1.22 -5.16 119.66 115.71 2kts s GLN 106 Ca 0.00 -1.78 0.06 0.00 0.02 0.00 0.00 55.36 53.66 2kts s GLN 106 Cb 0.00 0.43 -0.04 0.00 1.00 0.00 0.00 33.01 34.40 2kts s GLN 106 CO 0.00 -0.78 -0.13 -0.08 -2.12 0.00 0.00 175.29 172.18 2kts s THR 107 N -3.09 1.47 0.12 -0.19 -1.32 -1.26 -2.22 115.64 109.14 2kts s THR 107 Ca 0.31 -2.01 -0.07 0.00 -1.21 0.00 0.00 61.69 58.71 2kts s THR 107 Cb -0.00 -1.83 -0.01 0.00 -1.51 0.00 0.00 72.50 69.14 2kts s THR 107 CO 0.21 -0.57 0.19 -0.76 -2.21 0.00 0.00 174.62 171.48 2kts s LEU 108 N -2.99 1.39 -0.20 9.08 1.43 -0.13 -2.01 118.68 125.24 2kts s LEU 108 Ca 0.17 -0.83 0.01 0.00 -1.03 0.00 0.00 54.13 52.45 2kts s LEU 108 Cb -0.01 0.93 0.04 0.00 0.03 0.00 0.00 46.19 47.18 2kts s LEU 108 CO 0.04 -0.78 -0.13 -0.89 0.23 0.00 0.00 176.35 174.82 2kts s THR 109 N -3.93 1.88 -0.02 5.49 2.01 -0.23 -2.86 115.64 117.98 2kts s THR 109 Ca 0.12 -1.11 0.02 0.00 0.31 0.00 0.00 61.69 61.03 2kts s THR 109 Cb 0.05 -1.87 -0.03 0.00 0.01 0.00 0.00 72.50 70.65 2kts s THR 109 CO -0.05 0.25 -0.04 -0.31 -0.69 0.00 0.00 174.62 173.77 2kts s TYR 110 N 1.30 2.97 -0.05 4.92 2.02 -0.75 -2.31 117.35 125.45 2kts s TYR 110 Ca -0.01 0.02 -0.06 0.00 -0.37 0.00 0.00 57.07 56.65 2kts s TYR 110 Cb -0.16 -1.66 -0.04 0.00 -0.40 0.00 0.00 41.96 39.70 2kts s TYR 110 CO -0.09 0.40 0.20 0.21 -1.57 0.00 0.00 175.55 174.69 2kts s LYS 111 N -1.31 3.50 -1.14 -0.62 2.47 -0.21 -1.08 119.74 121.35 2kts s LYS 111 Ca 0.17 -0.15 -0.07 0.00 -1.56 0.00 0.00 55.97 54.36 2kts s LYS 111 Cb -0.11 -3.14 -0.06 0.00 -1.46 0.00 0.00 37.83 33.06 2kts s LYS 111 CO 0.07 0.71 2.37 -0.11 0.16 0.00 0.00 175.35 178.55 2kts n LEU 112 N 1.45 6.13 -4.19 5.43 7.94 -0.27 -2.04 117.00 131.45 2kts n LEU 112 Ca -0.15 -3.35 -0.43 0.00 -1.11 0.00 0.00 56.01 50.97 2kts n LEU 112 Cb 0.54 -1.24 0.00 0.00 0.53 0.00 0.00 43.42 43.25 2kts n LEU 112 CO 0.38 1.07 2.18 0.00 -1.11 0.00 0.00 177.39 179.91 2kts n ALA 113 N 4.01 4.48 -1.98 1.96 0.00 -1.26 -4.85 120.51 122.88 2kts n ALA 113 Ca 0.55 -3.94 -0.37 0.00 0.00 0.00 0.00 53.44 49.68 2kts n ALA 113 Cb 0.16 -3.47 -0.01 0.00 0.00 0.00 0.00 19.45 16.13 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 6.87 7.35 0.00 0.00 5.75 -1.25 -4.53 116.55 130.74 2kts n ASP 114 Ca 0.48 -3.42 0.02 0.00 -0.01 0.00 0.00 54.79 51.86 2kts n ASP 114 Cb 0.42 -1.22 0.14 0.00 -1.03 0.00 0.00 41.12 39.42 2kts n ASP 114 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kts n LEU 115 N 0.63 0.00 -4.59 -2.12 -0.00 -1.26 -4.80 117.00 104.85 2kts n LEU 115 Ca 0.53 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 56.12 2kts n LEU 115 Cb 0.33 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.73 2kts n LEU 115 CO 0.51 0.00 1.63 -0.32 -0.00 0.00 0.00 177.39 179.21 2kts s MET 116 N -2.00 3.15 0.00 1.47 1.75 -1.26 -5.19 119.30 117.21 2kts s MET 116 Ca 0.07 1.46 0.23 0.00 -1.25 0.00 0.00 55.69 56.20 2kts s MET 116 Cb 0.03 -4.27 1.38 0.00 2.84 0.00 0.00 34.83 34.81 2kts s MET 116 CO 0.05 -2.08 1.75 0.09 -0.65 0.00 0.00 175.02 174.18