#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 2.56 -4.47 1.12 3.14 -1.26 -5.04 118.33 114.37 2kts n VAL 2 Ca 0.00 -0.50 -0.23 0.00 -2.96 0.00 0.00 64.34 60.65 2kts n VAL 2 Cb 0.00 -1.66 -0.10 0.00 -1.06 0.00 0.00 33.84 31.01 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 -1.19 1.97 0.29 1.55 -4.23 -1.26 -4.81 115.64 107.96 2kts s THR 3 Ca 0.60 -2.19 -0.00 0.00 -1.18 0.00 0.00 61.69 58.91 2kts s THR 3 Cb -0.49 -2.47 0.15 0.00 1.34 0.00 0.00 72.50 71.03 2kts s THR 3 CO 0.58 -0.30 1.83 1.55 -0.54 0.00 0.00 174.62 177.74 2kts h PRO 4 N 2.21 0.78 0.45 3.99 0.13 -1.97 -3.32 132.00 134.27 2kts h PRO 4 Ca -0.41 -0.16 -0.01 0.00 -0.87 0.00 0.00 66.00 64.55 2kts h PRO 4 Cb 1.24 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2kts h PRO 4 CO 0.67 0.72 -0.35 1.49 -0.23 0.00 0.00 178.00 180.31 2kts h GLU 5 N 0.75 -0.76 -0.17 0.86 4.81 -1.96 -1.96 114.58 116.15 2kts h GLU 5 Ca 0.16 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 2kts h GLU 5 Cb 0.31 0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.86 2kts h GLU 5 CO 0.00 -0.51 0.00 0.00 -0.73 0.00 0.00 179.01 177.78 2kts n GLN 6 N -5.47 0.20 0.00 1.92 10.64 -1.25 -2.68 117.38 120.75 2kts n GLN 6 Ca -0.11 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.06 2kts n GLN 6 Cb 0.37 -1.08 0.00 0.00 -0.86 0.00 0.00 30.24 28.66 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 0.25 0.00 0.31 2.61 4.77 -1.01 -4.75 117.00 119.19 2kts n LEU 7 Ca 0.00 0.01 0.19 0.00 -0.03 0.00 0.00 56.01 56.19 2kts n LEU 7 Cb 0.04 0.01 1.03 0.00 -2.33 0.00 0.00 43.42 42.17 2kts n LEU 7 CO 0.00 -0.39 1.16 1.56 -1.33 0.00 0.00 177.39 178.40 2kts h GLN 8 N 0.00 0.00 -0.34 3.23 4.20 -1.14 -0.34 115.11 120.73 2kts h GLN 8 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2kts h GLN 8 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 2kts h GLN 8 CO 0.00 0.00 0.00 0.72 -0.67 0.00 0.00 178.83 178.88 2kts n HIS 9 N -3.20 0.54 -3.71 2.96 8.25 -1.25 -3.21 115.22 115.60 2kts n HIS 9 Ca -0.02 -0.55 -0.26 0.00 -0.26 0.00 0.00 57.72 56.63 2kts n HIS 9 Cb 0.20 -0.07 -0.17 0.00 1.12 0.00 0.00 29.99 31.07 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 -1.27 0.71 0.61 4.41 3.76 -0.14 -5.10 115.29 118.28 2kts s HIS 10 Ca 0.26 -0.55 -0.17 0.00 -0.15 0.00 0.00 55.06 54.45 2kts s HIS 10 Cb 0.15 -0.88 -0.02 0.00 1.11 0.00 0.00 32.58 32.94 2kts s HIS 10 CO 0.15 -0.52 1.13 0.50 -0.85 0.00 0.00 174.74 175.15 2kts s ARG 11 N 1.96 3.01 0.05 1.40 3.52 -1.26 -4.39 118.95 123.23 2kts s ARG 11 Ca 0.01 1.53 -0.00 0.00 -0.13 0.00 0.00 55.73 57.14 2kts s ARG 11 Cb -0.16 -1.97 -0.03 0.00 -1.56 0.00 0.00 34.95 31.23 2kts s ARG 11 CO -0.07 -1.11 -0.04 -0.06 -0.81 0.00 0.00 175.30 173.21 2kts s PHE 12 N -2.04 0.51 -0.03 5.12 0.40 -1.08 -3.94 117.98 116.92 2kts s PHE 12 Ca 0.70 -0.86 -0.01 0.00 -0.60 0.00 0.00 56.93 56.16 2kts s PHE 12 Cb -0.23 -0.36 0.03 0.00 0.51 0.00 0.00 43.02 42.98 2kts s PHE 12 CO 0.35 -0.28 0.05 0.54 0.70 0.00 0.00 175.22 176.59 2kts s VAL 13 N -3.04 -0.07 -0.03 -0.44 0.11 -0.79 -1.19 120.40 114.95 2kts s VAL 13 Ca 0.00 0.24 -0.32 0.00 -2.93 0.00 0.00 61.98 58.97 2kts s VAL 13 Cb 0.01 -0.11 -0.10 0.00 -1.53 0.00 0.00 36.38 34.65 2kts s VAL 13 CO -0.06 0.10 1.93 -0.11 -3.33 0.00 0.00 175.10 173.63 2kts n LEU 14 N 4.34 3.78 -0.09 2.54 0.00 -1.05 -0.28 117.00 126.23 2kts n LEU 14 Ca -0.25 0.93 -0.17 0.00 0.00 0.00 0.00 56.01 56.53 2kts n LEU 14 Cb 0.50 -1.44 -0.08 0.00 0.00 0.00 0.00 43.42 42.40 2kts n LEU 14 CO 0.19 0.06 -1.13 1.21 0.00 0.00 0.00 177.39 177.73 2kts n GLU 15 N 7.10 0.43 -3.91 1.96 0.00 -0.24 -4.67 120.64 121.30 2kts n GLU 15 Ca 0.22 0.14 -0.10 0.00 0.00 0.00 0.00 57.16 57.42 2kts n GLU 15 Cb 0.35 -1.27 -0.10 0.00 0.00 0.00 0.00 31.44 30.42 2kts n GLU 15 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 2kts s SER 16 N -6.27 0.13 0.99 4.31 1.04 -0.78 -4.17 113.70 108.95 2kts s SER 16 Ca -0.26 -0.40 -0.16 0.00 0.48 0.00 0.00 55.95 55.62 2kts s SER 16 Cb 0.08 0.20 0.19 0.00 0.10 0.00 0.00 66.02 66.60 2kts s SER 16 CO 0.38 -0.42 1.23 -0.69 0.98 0.00 0.00 173.24 174.71 2kts s VAL 17 N -1.95 1.91 0.46 5.02 1.01 -0.30 -0.82 120.40 125.72 2kts s VAL 17 Ca -0.11 0.00 0.30 0.00 0.00 0.00 0.00 61.98 62.17 2kts s VAL 17 Cb -0.05 -2.85 0.50 0.00 0.00 0.00 0.00 36.38 33.98 2kts s VAL 17 CO -0.02 0.00 1.69 -0.55 0.00 0.00 0.00 175.10 176.22 2kts h ASN 18 N -1.76 0.23 0.00 3.32 -1.07 -0.94 -3.35 115.58 112.02 2kts h ASN 18 Ca -0.46 0.09 -0.06 0.00 0.07 0.00 0.00 56.30 55.94 2kts h ASN 18 Cb 1.27 0.06 -0.01 0.00 -2.07 0.00 0.00 38.32 37.58 2kts h ASN 18 CO 0.44 -0.06 -0.88 0.61 0.07 0.00 0.00 177.43 177.62 2kts n GLY 19 N -1.59 -0.13 3.21 9.14 0.00 -1.26 -5.05 105.19 109.51 2kts n GLY 19 Ca 0.33 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.16 0.96 0.83 1.61 1.02 -1.26 -5.15 119.74 115.60 2kts s LYS 20 Ca -0.08 -1.41 -0.11 0.00 0.02 0.00 0.00 55.97 54.39 2kts s LYS 20 Cb 0.02 -0.37 0.09 0.00 -0.52 0.00 0.00 37.83 37.06 2kts s LYS 20 CO 0.11 -0.00 1.10 -1.25 -0.92 0.00 0.00 175.35 174.39 2kts s PRO 21 N -3.82 1.75 0.14 -1.68 0.04 -1.26 -1.15 135.00 129.01 2kts s PRO 21 Ca 0.16 1.23 -0.01 0.00 0.04 0.00 0.00 61.00 62.42 2kts s PRO 21 Cb 0.04 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 2kts s PRO 21 CO -0.01 -2.02 0.06 0.54 0.04 0.00 0.00 177.00 175.60 2kts s VAL 22 N -2.83 0.13 0.15 -0.36 0.11 -1.26 -4.86 120.40 111.48 2kts s VAL 22 Ca 0.63 -1.92 0.05 0.00 -2.93 0.00 0.00 61.98 57.82 2kts s VAL 22 Cb -0.19 -2.07 -0.04 0.00 -1.53 0.00 0.00 36.38 32.55 2kts s VAL 22 CO 0.57 -0.44 -0.12 0.42 -3.33 0.00 0.00 175.10 172.19 2kts s THR 23 N -4.03 1.31 -0.35 5.04 -4.23 -1.26 -4.96 115.64 107.16 2kts s THR 23 Ca 0.25 -1.95 0.14 0.00 -1.18 0.00 0.00 61.69 58.95 2kts s THR 23 Cb 0.07 -1.75 0.43 0.00 1.34 0.00 0.00 72.50 72.59 2kts s THR 23 CO 0.02 -0.60 1.21 -0.24 -0.54 0.00 0.00 174.62 174.47 2kts n SER 24 N 0.05 -0.32 -4.02 3.99 2.88 -1.26 -4.93 113.62 110.01 2kts n SER 24 Ca -0.12 -2.48 -0.34 0.00 -1.33 0.00 0.00 58.87 54.61 2kts n SER 24 Cb 0.59 0.28 -0.02 0.00 -0.75 0.00 0.00 64.21 64.32 2kts n SER 24 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2kts n ASP 25 N -0.52 -2.00 0.00 -3.46 8.00 -1.26 -0.86 116.55 116.45 2kts n ASP 25 Ca 0.01 -1.15 0.00 0.00 0.71 0.00 0.00 54.79 54.35 2kts n ASP 25 Cb 0.84 -2.40 0.00 0.00 -0.02 0.00 0.00 41.12 39.54 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 -4.58 0.00 -3.33 -1.24 0.00 -1.26 -4.87 118.16 102.88 2kts n LYS 26 Ca -0.22 0.00 -0.32 0.00 0.00 0.00 0.00 58.31 57.77 2kts n LYS 26 Cb 0.64 -3.31 -0.05 0.00 0.00 0.00 0.00 35.03 32.31 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 0.00 4.58 -4.59 3.14 3.02 -0.04 -5.09 115.26 116.27 2kts n ASN 27 Ca 0.00 -3.41 -0.28 0.00 -0.03 0.00 0.00 54.58 50.85 2kts n ASN 27 Cb 0.00 -0.88 0.20 0.00 -0.61 0.00 0.00 39.78 38.49 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 -2.48 -0.06 -0.11 3.52 0.04 -1.26 -4.64 135.00 130.01 2kts s PRO 28 Ca 0.36 0.52 -0.28 0.00 0.04 0.00 0.00 61.00 61.63 2kts s PRO 28 Cb 0.10 -1.68 -0.33 0.00 0.04 0.00 0.00 34.50 32.63 2kts s PRO 28 CO 0.01 -3.07 1.61 -0.35 0.04 0.00 0.00 177.00 175.25 2kts n PRO 29 N -4.41 0.21 -2.85 0.56 -0.04 -1.26 -4.90 135.00 122.30 2kts n PRO 29 Ca 0.05 -1.09 -0.20 0.00 -0.04 0.00 0.00 63.50 62.22 2kts n PRO 29 Cb 0.57 -2.53 0.02 0.00 -0.04 0.00 0.00 33.50 31.52 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 6.62 2.73 0.17 0.54 -1.05 -1.25 -2.54 118.70 123.93 2kts s GLU 30 Ca 0.64 -0.90 -0.09 0.00 -0.15 0.00 0.00 54.97 54.47 2kts s GLU 30 Cb 0.14 -2.60 -0.01 0.00 -0.44 0.00 0.00 34.13 31.22 2kts s GLU 30 CO 0.30 -0.47 0.29 -1.50 0.95 0.00 0.00 175.26 174.83 2kts s ILE 31 N -2.57 0.06 0.11 1.83 2.07 -0.34 -2.96 121.20 119.40 2kts s ILE 31 Ca 0.55 -1.40 -0.07 0.00 -1.41 0.00 0.00 60.65 58.31 2kts s ILE 31 Cb -0.10 -1.88 -0.01 0.00 0.13 0.00 0.00 42.46 40.60 2kts s ILE 31 CO 0.36 -0.27 0.18 -0.94 -1.91 0.00 0.00 174.94 172.36 2kts s SER 32 N -2.97 0.15 0.30 4.50 1.04 0.04 -2.65 113.70 114.10 2kts s SER 32 Ca 0.18 -0.78 0.05 0.00 0.48 0.00 0.00 55.95 55.88 2kts s SER 32 Cb 0.03 0.35 -0.06 0.00 0.10 0.00 0.00 66.02 66.44 2kts s SER 32 CO 0.01 -0.76 0.01 -0.36 0.98 0.00 0.00 173.24 173.12 2kts s PHE 33 N -3.91 1.91 -3.61 5.02 0.08 -1.26 -1.86 117.98 114.35 2kts s PHE 33 Ca 0.09 -0.85 0.00 0.00 0.12 0.00 0.00 56.93 56.29 2kts s PHE 33 Cb 0.05 -1.18 0.00 0.00 -0.57 0.00 0.00 43.02 41.32 2kts s PHE 33 CO -0.07 0.11 0.00 0.41 -0.10 0.00 0.00 175.22 175.56 2kts n GLY 34 N -0.61 -1.12 3.58 4.36 0.00 -1.15 -4.40 105.19 105.85 2kts n GLY 34 Ca -0.04 -1.07 -0.23 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.63 -2.26 1.61 1.02 -1.26 -1.29 120.64 116.83 2kts n GLU 35 Ca 0.00 1.07 -0.21 0.00 -0.02 0.00 0.00 57.16 58.01 2kts n GLU 35 Cb 0.00 -2.94 -0.02 0.00 -0.02 0.00 0.00 31.44 28.45 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 -1.89 -1.62 -1.09 3.49 5.02 -1.26 -1.08 118.16 119.74 2kts n LYS 36 Ca -0.20 1.04 -0.03 0.00 -2.02 0.00 0.00 58.31 57.10 2kts n LYS 36 Cb 0.65 -5.65 -0.01 0.00 -0.02 0.00 0.00 35.03 30.00 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 -2.89 -0.40 -1.65 1.97 2.81 -0.45 -4.74 117.12 111.78 2kts n MET 37 Ca -0.24 0.45 -0.39 0.00 -1.81 0.00 0.00 57.70 55.71 2kts n MET 37 Cb 0.69 -4.02 0.04 0.00 -0.71 0.00 0.00 33.22 29.22 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 -2.52 1.22 -4.44 0.03 2.81 -0.24 -2.73 117.12 111.25 2kts n MET 38 Ca -0.03 0.45 -0.34 0.00 -1.81 0.00 0.00 57.70 55.97 2kts n MET 38 Cb 0.15 -2.26 -0.11 0.00 -0.71 0.00 0.00 33.22 30.29 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 -1.40 4.00 -0.02 2.02 1.01 -0.11 -2.94 121.20 123.76 2kts s ILE 39 Ca 0.72 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 61.04 2kts s ILE 39 Cb -0.45 -2.70 0.01 0.00 0.01 0.00 0.00 42.46 39.33 2kts s ILE 39 CO 0.50 0.55 -0.04 -0.44 0.00 0.00 0.00 174.94 175.51 2kts s SER 40 N -0.31 0.61 -0.03 3.58 0.01 -0.78 -1.83 113.70 114.96 2kts s SER 40 Ca 0.05 -0.08 -0.16 0.00 1.31 0.00 0.00 55.95 57.07 2kts s SER 40 Cb -0.12 -0.18 0.05 0.00 0.21 0.00 0.00 66.02 65.98 2kts s SER 40 CO 0.02 0.00 0.72 0.61 0.41 0.00 0.00 173.24 175.01 2kts n GLY 41 N 3.45 0.33 3.28 3.44 0.00 -1.16 -0.78 105.19 113.75 2kts n GLY 41 Ca -0.19 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.79 2kts n GLY 41 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kts s SER 42 N -2.59 0.13 0.00 1.61 0.15 -1.15 -1.52 113.70 110.33 2kts s SER 42 Ca 0.17 -1.15 0.00 0.00 0.70 0.00 0.00 55.95 55.67 2kts s SER 42 Cb -0.00 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 2kts s SER 42 CO -0.01 -0.87 0.00 0.23 1.20 0.00 0.00 173.24 173.79 2kts n MET 43 N -0.23 0.00 0.02 5.44 2.81 -1.26 -3.86 117.12 120.05 2kts n MET 43 Ca -0.03 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 2kts n MET 43 Cb 0.64 -0.56 0.00 0.00 -0.71 0.00 0.00 33.22 32.59 2kts n MET 43 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kts n ASN 45 N -2.62 1.84 -1.41 0.00 3.02 -1.26 -4.76 115.26 110.06 2kts n ASN 45 Ca 0.00 -2.01 0.18 0.00 -0.03 0.00 0.00 54.58 52.71 2kts n ASN 45 Cb 0.00 -0.24 -0.08 0.00 -0.61 0.00 0.00 39.78 38.85 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 0.47 -3.18 -3.78 3.52 5.12 -1.26 -0.70 116.66 116.85 2kts n ARG 46 Ca 0.11 2.50 -0.06 0.00 -1.93 0.00 0.00 57.85 58.47 2kts n ARG 46 Cb 0.30 -3.74 -0.02 0.00 -1.16 0.00 0.00 32.46 27.83 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 -3.79 -0.19 0.17 -1.55 -0.71 -0.58 -4.18 117.98 107.15 2kts s PHE 47 Ca 0.00 -0.19 -0.20 0.00 -1.04 0.00 0.00 56.93 55.51 2kts s PHE 47 Cb 0.00 0.67 0.05 0.00 -1.21 0.00 0.00 43.02 42.52 2kts s PHE 47 CO 0.00 -1.04 0.54 -1.12 -1.34 0.00 0.00 175.22 172.26 2kts s SER 48 N -2.91 -0.37 -0.12 1.98 0.01 -1.19 -2.97 113.70 108.12 2kts s SER 48 Ca 0.11 -0.27 -0.34 0.00 1.31 0.00 0.00 55.95 56.76 2kts s SER 48 Cb -0.04 0.57 0.15 0.00 0.21 0.00 0.00 66.02 66.91 2kts s SER 48 CO 0.04 -1.00 1.41 -0.83 0.41 0.00 0.00 173.24 173.26 2kts s GLY 49 N -2.81 -0.43 -0.74 3.44 0.00 -0.76 -2.53 107.32 103.48 2kts s GLY 49 Ca 0.05 1.12 -0.26 0.00 0.00 0.00 0.00 44.72 45.63 2kts s GLY 49 CO -0.08 0.26 1.95 -0.54 0.00 0.00 0.00 173.10 174.69 2kts s GLU 50 N -2.09 2.52 0.77 2.90 2.02 -1.26 -0.93 118.70 122.63 2kts s GLU 50 Ca 0.14 0.27 -0.12 0.00 0.02 0.00 0.00 54.97 55.29 2kts s GLU 50 Cb 0.06 -4.70 0.05 0.00 0.10 0.00 0.00 34.13 29.64 2kts s GLU 50 CO -0.06 -3.12 1.10 0.20 0.02 0.00 0.00 175.26 173.41 2kts s GLY 51 N 8.43 1.62 -0.28 -1.39 0.00 -1.10 -4.29 107.32 110.31 2kts s GLY 51 Ca 0.71 -0.28 -0.22 0.00 0.00 0.00 0.00 44.72 44.93 2kts s GLY 51 CO 0.11 0.14 1.03 1.25 0.00 0.00 0.00 173.10 175.63 2kts s LYS 52 N -5.24 0.45 -0.06 2.90 2.20 -1.26 -4.18 119.74 114.55 2kts s LYS 52 Ca 0.60 0.60 0.02 0.00 -0.36 0.00 0.00 55.97 56.82 2kts s LYS 52 Cb -0.13 0.18 0.02 0.00 -1.51 0.00 0.00 37.83 36.39 2kts s LYS 52 CO 0.53 -0.06 -0.09 -1.17 -0.36 0.00 0.00 175.35 174.20 2kts s LEU 53 N 0.55 1.49 0.00 5.43 2.96 -1.26 -4.54 118.68 123.32 2kts s LEU 53 Ca -0.00 -0.24 0.00 0.00 -0.22 0.00 0.00 54.13 53.67 2kts s LEU 53 Cb -0.05 -0.70 0.00 0.00 0.50 0.00 0.00 46.19 45.95 2kts s LEU 53 CO -0.09 -0.01 0.00 -0.24 -1.32 0.00 0.00 176.35 174.69 2kts n SER 54 N 4.00 0.00 -0.29 3.68 2.88 -1.26 -4.60 113.62 118.03 2kts n SER 54 Ca -0.23 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.40 2kts n SER 54 Cb 0.51 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 64.12 2kts n SER 54 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2kts n ASN 55 N -1.22 1.99 0.00 -3.46 5.15 -1.26 -4.94 115.26 111.52 2kts n ASN 55 Ca 0.00 -3.24 0.00 0.00 -0.60 0.00 0.00 54.58 50.74 2kts n ASN 55 Cb 0.00 -0.44 0.00 0.00 -0.53 0.00 0.00 39.78 38.81 2kts n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kts n GLY 56 N -1.21 0.66 3.30 8.20 0.00 -1.26 -5.02 105.19 109.86 2kts n GLY 56 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.15 1.27 -0.01 1.61 2.12 -1.26 -0.87 118.70 121.41 2kts s GLU 57 Ca 0.00 -1.15 0.03 0.00 0.36 0.00 0.00 54.97 54.21 2kts s GLU 57 Cb 0.00 -1.55 -0.00 0.00 0.26 0.00 0.00 34.13 32.84 2kts s GLU 57 CO 0.00 0.37 -0.09 -1.17 -0.54 0.00 0.00 175.26 173.83 2kts s LEU 58 N -1.75 1.95 0.31 2.70 2.96 0.50 -4.52 118.68 120.84 2kts s LEU 58 Ca 0.08 -0.18 0.06 0.00 -0.22 0.00 0.00 54.13 53.87 2kts s LEU 58 Cb -0.10 -0.51 -0.06 0.00 0.50 0.00 0.00 46.19 46.02 2kts s LEU 58 CO 0.04 0.10 -0.01 0.42 -1.32 0.00 0.00 176.35 175.58 2kts s THR 59 N -0.11 1.53 -0.20 3.68 -4.23 -1.26 -0.46 115.64 114.59 2kts s THR 59 Ca 0.02 -2.07 -0.05 0.00 -1.18 0.00 0.00 61.69 58.42 2kts s THR 59 Cb -0.05 -2.63 0.07 0.00 1.34 0.00 0.00 72.50 71.23 2kts s THR 59 CO -0.00 -0.17 0.10 0.00 -0.54 0.00 0.00 174.62 174.01 2kts s ALA 60 N -3.07 0.53 -1.14 3.99 0.00 0.62 -3.93 121.76 118.77 2kts s ALA 60 Ca 0.32 -0.55 -0.21 0.00 0.00 0.00 0.00 51.96 51.52 2kts s ALA 60 Cb 0.06 -1.14 -0.07 0.00 0.00 0.00 0.00 23.12 21.97 2kts s ALA 60 CO 0.14 -1.30 1.91 1.17 0.00 0.00 0.00 175.76 177.68 2kts n LYS 61 N 5.25 1.97 0.00 0.00 4.81 -1.26 -4.25 118.16 124.68 2kts n LYS 61 Ca -0.07 -2.50 0.00 0.00 -0.87 0.00 0.00 58.31 54.87 2kts n LYS 61 Cb 0.47 -3.48 0.00 0.00 0.02 0.00 0.00 35.03 32.04 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 5.33 2.56 2.19 3.14 0.00 -1.26 -4.90 105.19 112.26 2kts n GLY 62 Ca 0.47 -0.73 -0.03 0.00 0.00 0.00 0.00 46.02 45.73 2kts n GLY 62 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2kts n LEU 63 N 0.00 -5.16 -4.50 0.99 0.00 -1.26 -4.95 117.00 102.12 2kts n LEU 63 Ca 0.00 1.84 -0.42 0.00 0.00 0.00 0.00 56.01 57.43 2kts n LEU 63 Cb 0.00 -2.67 -0.03 0.00 0.00 0.00 0.00 43.42 40.71 2kts n LEU 63 CO 0.00 -2.70 1.03 0.00 0.00 0.00 0.00 177.39 175.72 2kts s ALA 64 N -0.47 2.96 0.62 1.96 0.00 -1.05 -4.86 121.76 120.91 2kts s ALA 64 Ca -0.14 -1.84 0.07 0.00 0.00 0.00 0.00 51.96 50.05 2kts s ALA 64 Cb 0.01 -4.12 0.11 0.00 0.00 0.00 0.00 23.12 19.12 2kts s ALA 64 CO 0.39 -3.10 0.85 -1.33 0.00 0.00 0.00 175.76 172.56 2kts n MET 65 N 8.34 0.43 -0.74 0.00 2.81 -1.26 -3.20 117.12 123.50 2kts n MET 65 Ca 0.07 -3.02 0.00 0.00 -1.81 0.00 0.00 57.70 52.94 2kts n MET 65 Cb 0.48 -0.34 0.00 0.00 -0.71 0.00 0.00 33.22 32.65 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 -2.40 0.00 -2.60 2.03 -2.24 0.12 -4.98 114.28 104.21 2kts n THR 66 Ca 0.16 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.80 2kts n THR 66 Cb 0.60 -0.09 0.02 0.00 -2.10 0.00 0.00 70.33 68.76 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 -0.03 1.96 -1.19 -0.78 5.12 -1.26 -4.96 116.66 115.52 2kts n ARG 67 Ca 0.00 -3.68 -0.14 0.00 -1.93 0.00 0.00 57.85 52.10 2kts n ARG 67 Cb 0.00 -1.61 0.09 0.00 -1.16 0.00 0.00 32.46 29.79 2kts n ARG 67 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 2kts n MET 68 N -0.24 -0.36 -4.02 5.56 2.81 -1.26 -5.15 117.12 114.46 2kts n MET 68 Ca 0.19 -1.17 -0.11 0.00 -1.81 0.00 0.00 57.70 54.81 2kts n MET 68 Cb 0.77 -0.58 -0.04 0.00 -0.71 0.00 0.00 33.22 32.66 2kts n MET 68 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kts s MET 69 N -4.25 1.74 0.01 0.03 0.23 -1.26 -4.84 119.30 110.95 2kts s MET 69 Ca 0.37 -1.46 -0.02 0.00 -1.03 0.00 0.00 55.69 53.55 2kts s MET 69 Cb -0.01 0.47 -0.01 0.00 -1.53 0.00 0.00 34.83 33.75 2kts s MET 69 CO 0.26 -0.73 0.02 0.00 -2.03 0.00 0.00 175.02 172.54 2kts n ALA 71 N 1.85 2.03 -3.14 0.00 0.00 -1.26 -4.32 120.51 115.67 2kts n ALA 71 Ca -0.21 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.10 2kts n ALA 71 Cb 0.56 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.90 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 0.57 -0.24 0.15 0.00 3.84 -1.26 -5.05 114.94 112.95 2kts s ASN 72 Ca 0.00 0.42 0.13 0.00 0.21 0.00 0.00 52.86 53.63 2kts s ASN 72 Cb 0.00 0.48 -0.08 0.00 -0.55 0.00 0.00 41.25 41.09 2kts s ASN 72 CO 0.00 -0.13 1.15 1.55 -2.79 0.00 0.00 177.10 176.88 2kts h PRO 73 N 5.52 0.00 0.00 0.43 0.13 -1.99 -3.25 132.00 132.84 2kts h PRO 73 Ca -0.26 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.85 2kts h PRO 73 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kts h PRO 73 CO 0.36 0.55 -0.10 0.37 -0.23 0.00 0.00 178.00 178.95 2kts h GLN 74 N 0.00 0.00 -0.09 0.86 4.15 -1.98 -0.10 115.11 117.95 2kts h GLN 74 Ca -0.08 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.23 2kts h GLN 74 Cb 1.59 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.27 2kts h GLN 74 CO 0.08 0.10 -0.45 -0.07 -1.93 0.00 0.00 178.83 176.56 2kts h LEU 75 N 0.00 0.22 -0.03 -2.39 3.38 -1.89 -2.72 115.31 111.88 2kts h LEU 75 Ca -0.00 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2kts h LEU 75 Cb 0.23 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2kts h LEU 75 CO 0.01 0.64 -0.09 -1.13 0.09 0.00 0.00 178.44 177.97 2kts h ASN 76 N 0.17 0.00 0.61 -0.43 -0.73 -1.16 -2.91 115.58 111.13 2kts h ASN 76 Ca 0.01 0.00 -0.24 0.00 1.87 0.00 0.00 56.30 57.94 2kts h ASN 76 Cb 0.86 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.45 2kts h ASN 76 CO 0.07 0.09 -1.09 -0.33 -0.37 0.00 0.00 177.43 175.79 2kts h GLU 77 N 0.00 0.25 -0.14 6.67 4.39 -1.42 -3.28 114.58 121.05 2kts h GLU 77 Ca -0.00 -0.36 0.04 0.00 0.34 0.00 0.00 59.36 59.38 2kts h GLU 77 Cb 1.06 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 2kts h GLU 77 CO 0.01 1.12 0.18 -0.07 -1.16 0.00 0.00 179.01 179.09 2kts h LEU 78 N 0.10 0.00 -1.78 1.33 -0.00 -1.27 -1.99 115.31 111.71 2kts h LEU 78 Ca -0.09 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.75 2kts h LEU 78 Cb 1.79 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.44 2kts h LEU 78 CO 0.17 0.00 -0.16 0.44 -0.00 0.00 0.00 178.44 178.90 2kts h ASP 79 N 0.00 0.00 0.00 -0.43 3.32 -1.62 0.66 116.42 118.35 2kts h ASP 79 Ca 0.07 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.79 2kts h ASP 79 Cb 0.42 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.91 2kts h ASP 79 CO -0.00 0.16 -2.26 -0.46 -1.72 0.00 0.00 179.24 174.96 2kts n ASN 80 N -3.96 0.44 0.00 6.45 0.23 -0.79 -3.52 115.26 114.10 2kts n ASN 80 Ca -0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.03 2kts n ASN 80 Cb 0.25 0.97 0.00 0.00 -2.08 0.00 0.00 39.78 38.92 2kts n ASN 80 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 2kts n THR 81 N -2.68 0.00 0.01 5.53 -1.04 -0.93 -1.81 114.28 113.37 2kts n THR 81 Ca -0.30 1.28 -0.03 0.00 -2.04 0.00 0.00 64.05 62.97 2kts n THR 81 Cb 1.09 -1.90 0.22 0.00 -1.82 0.00 0.00 70.33 67.92 2kts n THR 81 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 2kts h ILE 82 N 0.00 1.25 -0.44 12.58 6.09 -1.08 -0.76 117.51 135.15 2kts h ILE 82 Ca 0.00 -1.17 -0.01 0.00 -1.37 0.00 0.00 64.86 62.31 2kts h ILE 82 Cb 0.00 1.27 -0.02 0.00 0.47 0.00 0.00 36.82 38.53 2kts h ILE 82 CO 0.00 0.38 0.23 0.28 -3.07 0.00 0.00 178.15 175.96 2kts h SER 83 N 0.44 0.56 0.55 2.19 0.02 -1.60 -1.23 113.55 114.49 2kts h SER 83 Ca 0.07 -0.11 -0.24 0.00 -0.84 0.00 0.00 61.79 60.68 2kts h SER 83 Cb 0.60 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 2kts h SER 83 CO 0.04 0.50 -1.06 -0.08 -1.14 0.00 0.00 176.83 175.09 2kts h GLU 84 N 0.57 0.28 -0.37 3.45 4.81 -1.01 -1.67 114.58 120.64 2kts h GLU 84 Ca 0.15 -0.38 0.06 0.00 -0.13 0.00 0.00 59.36 59.06 2kts h GLU 84 Cb 0.08 0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.53 2kts h GLU 84 CO -0.02 1.12 0.03 0.52 -0.73 0.00 0.00 179.01 179.93 2kts h MET 85 N 0.12 0.13 0.00 1.92 2.86 -0.97 -1.13 114.93 117.87 2kts h MET 85 Ca -0.09 -0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.42 2kts h MET 85 Cb 1.75 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 33.36 2kts h MET 85 CO 0.17 0.09 -0.55 -0.07 1.06 0.00 0.00 176.91 177.61 2kts h LEU 86 N 0.14 0.00 -0.43 1.22 -0.00 -1.23 0.10 115.31 115.11 2kts h LEU 86 Ca 0.18 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.89 2kts h LEU 86 Cb 0.23 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.89 2kts h LEU 86 CO -0.27 0.55 -0.51 0.11 -0.00 0.00 0.00 178.44 178.31 2kts h LYS 87 N 0.00 0.74 0.43 1.13 1.57 -0.62 0.18 116.57 119.99 2kts h LYS 87 Ca -0.01 -0.45 -0.02 0.00 -1.87 0.00 0.00 60.65 58.31 2kts h LYS 87 Cb 1.25 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.61 2kts h LYS 87 CO 0.07 1.07 -0.21 0.93 -0.57 0.00 0.00 179.45 180.75 2kts h GLU 88 N 0.57 -0.56 0.00 3.15 4.39 -1.16 -3.45 114.58 117.54 2kts h GLU 88 Ca 0.02 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2kts h GLU 88 Cb 1.09 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2kts h GLU 88 CO 0.11 -0.37 0.00 0.41 -1.16 0.00 0.00 179.01 178.00 2kts n GLY 89 N -0.36 2.17 3.82 -3.84 0.00 -0.00 -4.97 105.19 102.00 2kts n GLY 89 Ca -0.07 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 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 3.62 0.13 4.61 0.00 0.39 -4.84 121.76 125.68 2kts s ALA 90 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 51.96 51.62 2kts s ALA 90 Cb 0.00 -2.56 -0.06 0.00 0.00 0.00 0.00 23.12 20.49 2kts s ALA 90 CO 0.00 0.42 1.00 -0.65 0.00 0.00 0.00 175.76 176.53 2kts s GLN 91 N -1.08 4.67 -0.34 0.00 -1.52 0.59 -0.37 119.66 121.61 2kts s GLN 91 Ca 0.27 1.53 0.00 0.00 -1.95 0.00 0.00 55.36 55.22 2kts s GLN 91 Cb -0.19 -3.35 0.11 0.00 -0.22 0.00 0.00 33.01 29.36 2kts s GLN 91 CO 0.17 0.17 0.12 0.08 -0.25 0.00 0.00 175.29 175.59 2kts s VAL 92 N -0.07 1.14 -0.49 1.09 1.01 -0.05 -1.84 120.40 121.18 2kts s VAL 92 Ca 0.48 -1.74 0.01 0.00 0.00 0.00 0.00 61.98 60.73 2kts s VAL 92 Cb -0.25 -1.85 0.13 0.00 0.00 0.00 0.00 36.38 34.41 2kts s VAL 92 CO 0.31 -0.71 0.25 -1.81 0.00 0.00 0.00 175.10 173.14 2kts s ASP 93 N 1.29 4.84 -0.49 3.32 1.01 -0.99 -4.68 116.67 120.96 2kts s ASP 93 Ca 0.11 -2.60 -0.20 0.00 0.71 0.00 0.00 52.55 50.57 2kts s ASP 93 Cb -0.19 -1.73 0.05 0.00 1.01 0.00 0.00 42.92 42.06 2kts s ASP 93 CO -0.18 -0.36 0.65 -0.22 0.21 0.00 0.00 175.17 175.27 2kts s LEU 94 N 0.29 4.79 0.00 1.23 1.98 -1.26 -0.65 118.68 125.07 2kts s LEU 94 Ca 0.14 -0.74 0.00 0.00 -2.89 0.00 0.00 54.13 50.64 2kts s LEU 94 Cb -0.22 -2.53 0.00 0.00 0.66 0.00 0.00 46.19 44.10 2kts s LEU 94 CO -0.03 -0.88 0.00 1.07 -1.89 0.00 0.00 176.35 174.61 2kts n THR 95 N 5.70 0.00 0.25 3.68 5.66 -0.13 -4.39 114.28 125.05 2kts n THR 95 Ca -0.05 0.00 0.18 0.00 -3.05 0.00 0.00 64.05 61.13 2kts n THR 95 Cb 0.46 -1.72 0.87 0.00 -1.55 0.00 0.00 70.33 68.39 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 -1.52 1.57 0.00 1.79 0.00 -2.04 -3.29 119.26 115.76 2kts h ALA 96 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kts h ALA 96 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2kts h ALA 96 CO 0.00 -0.33 0.00 0.27 0.00 0.00 0.00 179.25 179.19 2kts n ASN 97 N -3.34 0.00 -3.83 0.00 0.23 -1.26 -5.07 115.26 101.98 2kts n ASN 97 Ca 0.01 -1.00 -0.13 0.00 -0.53 0.00 0.00 54.58 52.93 2kts n ASN 97 Cb 0.36 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 37.91 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 -0.01 -0.25 -3.83 0.74 -1.24 -0.86 119.66 114.20 2kts s GLN 98 Ca 0.00 0.08 -0.03 0.00 0.05 0.00 0.00 55.36 55.46 2kts s GLN 98 Cb 0.00 -0.09 0.02 0.00 1.10 0.00 0.00 33.01 34.04 2kts s GLN 98 CO 0.00 -0.06 -0.04 -1.17 -0.55 0.00 0.00 175.29 173.47 2kts s LEU 99 N 0.40 3.29 0.24 3.68 2.96 0.06 -0.96 118.68 128.34 2kts s LEU 99 Ca -0.03 -0.83 -0.11 0.00 -0.22 0.00 0.00 54.13 52.94 2kts s LEU 99 Cb -0.05 -1.70 -0.08 0.00 0.50 0.00 0.00 46.19 44.87 2kts s LEU 99 CO -0.01 -0.13 0.59 0.28 -1.32 0.00 0.00 176.35 175.75 2kts s THR 100 N 1.36 4.87 -0.20 3.68 -1.32 0.18 -0.30 115.64 123.91 2kts s THR 100 Ca 0.01 0.59 0.01 0.00 -1.21 0.00 0.00 61.69 61.10 2kts s THR 100 Cb -0.17 -3.62 0.03 0.00 -1.51 0.00 0.00 72.50 67.23 2kts s THR 100 CO -0.03 -0.08 -0.17 -0.76 -2.21 0.00 0.00 174.62 171.38 2kts s LEU 101 N -2.80 2.40 -0.00 9.08 2.01 0.15 -2.34 118.68 127.18 2kts s LEU 101 Ca 0.48 -0.83 0.04 0.00 0.01 0.00 0.00 54.13 53.84 2kts s LEU 101 Cb -0.11 -1.45 -0.01 0.00 0.01 0.00 0.00 46.19 44.63 2kts s LEU 101 CO 0.20 -0.06 -0.14 0.00 1.01 0.00 0.00 176.35 177.36 2kts s ALA 102 N 1.27 1.18 0.34 4.21 0.00 -0.77 -0.69 121.76 127.30 2kts s ALA 102 Ca 0.01 -0.64 -0.18 0.00 0.00 0.00 0.00 51.96 51.15 2kts s ALA 102 Cb -0.15 -0.29 0.04 0.00 0.00 0.00 0.00 23.12 22.73 2kts s ALA 102 CO -0.11 0.28 0.77 0.99 0.00 0.00 0.00 175.76 177.70 2kts s THR 103 N -0.40 0.00 0.40 0.00 2.01 -1.07 -0.30 115.64 116.28 2kts s THR 103 Ca 0.05 -0.98 0.21 0.00 0.31 0.00 0.00 61.69 61.27 2kts s THR 103 Cb -0.06 -2.55 0.41 0.00 0.01 0.00 0.00 72.50 70.31 2kts s THR 103 CO -0.00 0.00 1.74 0.00 -0.69 0.00 0.00 174.62 175.67 2kts h ALA 104 N 2.00 2.32 0.06 7.40 0.00 -1.94 -2.85 119.26 126.24 2kts h ALA 104 Ca -0.27 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2kts h ALA 104 Cb 1.25 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 2kts h ALA 104 CO 0.34 -0.77 -0.05 0.87 0.00 0.00 0.00 179.25 179.64 2kts h LYS 105 N 0.33 -0.10 0.00 0.00 1.79 -1.94 -3.49 116.57 113.16 2kts h LYS 105 Ca 0.64 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.11 2kts h LYS 105 Cb 1.71 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 32.38 2kts h LYS 105 CO -0.32 -0.07 0.00 0.00 -1.08 0.00 0.00 179.45 177.98 2kts n GLN 106 N -2.53 0.00 -4.19 3.15 10.64 -1.08 -5.12 117.38 118.26 2kts n GLN 106 Ca -0.01 0.00 -0.17 0.00 -1.83 0.00 0.00 57.00 54.99 2kts n GLN 106 Cb 0.05 0.00 -0.15 0.00 -0.86 0.00 0.00 30.24 29.28 2kts n GLN 106 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 2kts s THR 107 N -2.17 0.46 0.16 -0.39 2.01 -1.26 -2.61 115.64 111.85 2kts s THR 107 Ca 0.00 -0.23 0.03 0.00 0.31 0.00 0.00 61.69 61.79 2kts s THR 107 Cb 0.00 -0.40 -0.05 0.00 0.01 0.00 0.00 72.50 72.06 2kts s THR 107 CO 0.00 0.14 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.28 2kts s LEU 108 N -0.02 2.29 -0.09 4.42 2.01 0.13 -0.22 118.68 127.20 2kts s LEU 108 Ca 0.01 -1.12 -0.03 0.00 0.01 0.00 0.00 54.13 53.00 2kts s LEU 108 Cb -0.04 -0.16 0.04 0.00 0.01 0.00 0.00 46.19 46.04 2kts s LEU 108 CO -0.00 -0.49 0.07 -0.89 1.01 0.00 0.00 176.35 176.05 2kts s THR 109 N -3.53 -0.06 0.29 5.49 2.01 -0.00 -0.68 115.64 119.15 2kts s THR 109 Ca 0.21 0.21 -0.01 0.00 0.31 0.00 0.00 61.69 62.41 2kts s THR 109 Cb 0.05 -0.32 -0.04 0.00 0.01 0.00 0.00 72.50 72.20 2kts s THR 109 CO 0.03 0.03 0.50 -0.31 -0.69 0.00 0.00 174.62 174.18 2kts s TYR 110 N 2.14 3.49 0.08 4.92 1.51 0.59 -1.08 117.35 129.00 2kts s TYR 110 Ca 0.04 0.41 0.01 0.00 -1.01 0.00 0.00 57.07 56.53 2kts s TYR 110 Cb -0.13 -1.93 -0.04 0.00 -0.11 0.00 0.00 41.96 39.75 2kts s TYR 110 CO -0.05 0.22 0.17 0.21 -1.11 0.00 0.00 175.55 174.99 2kts s LYS 111 N -3.82 3.24 -0.99 -0.62 2.47 0.61 -0.76 119.74 119.87 2kts s LYS 111 Ca 0.40 -0.55 -0.06 0.00 -1.56 0.00 0.00 55.97 54.20 2kts s LYS 111 Cb -0.10 -2.91 -0.07 0.00 -1.46 0.00 0.00 37.83 33.29 2kts s LYS 111 CO 0.32 0.58 2.29 -0.11 0.16 0.00 0.00 175.35 178.60 2kts n LEU 112 N 0.24 5.54 -4.38 5.43 7.94 -0.04 -1.88 117.00 129.85 2kts n LEU 112 Ca -0.06 -3.12 -0.45 0.00 -1.11 0.00 0.00 56.01 51.26 2kts n LEU 112 Cb 0.52 -1.17 -0.01 0.00 0.53 0.00 0.00 43.42 43.29 2kts n LEU 112 CO 0.49 0.91 0.84 0.00 -1.11 0.00 0.00 177.39 178.52 2kts s ALA 113 N 3.07 4.26 -0.23 1.96 0.00 -1.26 -4.85 121.76 124.71 2kts s ALA 113 Ca 0.45 -3.49 0.14 0.00 0.00 0.00 0.00 51.96 49.07 2kts s ALA 113 Cb 0.12 -3.73 0.71 0.00 0.00 0.00 0.00 23.12 20.22 2kts s ALA 113 CO -0.04 -2.43 1.64 -0.40 0.00 0.00 0.00 175.76 174.54 2kts n ASP 114 N 4.08 4.95 -0.29 0.00 5.75 -1.25 -4.42 116.55 125.37 2kts n ASP 114 Ca 0.24 -3.02 -0.04 0.00 -0.01 0.00 0.00 54.79 51.96 2kts n ASP 114 Cb 0.43 -0.65 -0.02 0.00 -1.03 0.00 0.00 41.12 39.86 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 0.11 0.02 -4.32 -2.12 4.77 -1.26 -4.75 117.00 109.44 2kts n LEU 115 Ca 0.27 0.09 -0.29 0.00 -0.03 0.00 0.00 56.01 56.06 2kts n LEU 115 Cb 1.12 -1.51 0.25 0.00 -2.33 0.00 0.00 43.42 40.96 2kts n LEU 115 CO 0.28 -0.49 0.24 1.15 -1.33 0.00 0.00 177.39 177.24 2kts n MET 116 N -1.73 -3.13 0.00 3.23 0.00 -1.26 -5.24 117.12 108.98 2kts n MET 116 Ca -0.04 -0.91 0.07 0.00 0.00 0.00 0.00 57.70 56.83 2kts n MET 116 Cb 0.27 -1.96 0.06 0.00 0.00 0.00 0.00 33.22 31.60 2kts n MET 116 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26