#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 3.37 -4.29 3.17 3.14 -1.26 -5.04 118.33 117.42 2kts n VAL 2 Ca 0.00 -0.50 -0.16 0.00 -2.96 0.00 0.00 64.34 60.72 2kts n VAL 2 Cb 0.00 -1.72 -0.10 0.00 -1.06 0.00 0.00 33.84 30.96 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 -1.25 0.94 0.20 1.55 -4.23 -1.26 -4.84 115.64 106.75 2kts s THR 3 Ca 0.67 -2.02 -0.07 0.00 -1.18 0.00 0.00 61.69 59.09 2kts s THR 3 Cb -0.43 -2.21 0.07 0.00 1.34 0.00 0.00 72.50 71.27 2kts s THR 3 CO 0.53 -0.43 1.67 1.55 -0.54 0.00 0.00 174.62 177.40 2kts h PRO 4 N 2.58 0.98 -0.31 3.99 0.13 -1.96 -3.28 132.00 134.12 2kts h PRO 4 Ca -0.38 -0.31 0.02 0.00 -0.87 0.00 0.00 66.00 64.47 2kts h PRO 4 Cb 1.21 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 2kts h PRO 4 CO 0.64 0.98 0.15 1.49 -0.23 0.00 0.00 178.00 181.03 2kts h GLU 5 N 0.89 0.31 -0.27 0.86 4.22 -1.97 -1.23 114.58 117.39 2kts h GLU 5 Ca 0.16 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.58 2kts h GLU 5 Cb 0.56 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2kts h GLU 5 CO 0.03 0.20 0.00 0.00 -2.18 0.00 0.00 179.01 177.07 2kts n GLN 6 N -4.96 0.49 0.00 1.92 10.64 -1.24 -3.29 117.38 120.94 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 0.08 -1.14 0.00 0.00 -0.86 0.00 0.00 30.24 28.32 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 -0.08 0.43 0.00 2.61 4.77 -0.61 -4.80 117.00 119.33 2kts n LEU 7 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 2kts n LEU 7 Cb 0.07 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.19 2kts n LEU 7 CO 0.00 -0.11 0.43 0.00 -1.33 0.00 0.00 177.39 176.38 2kts n GLN 8 N -2.52 0.01 -0.07 3.23 6.02 -0.56 -1.63 117.38 121.86 2kts n GLN 8 Ca 0.00 0.30 0.02 0.00 -0.01 0.00 0.00 57.00 57.32 2kts n GLN 8 Cb 0.24 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 30.03 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 -1.32 0.00 -3.64 1.08 8.25 -1.26 -3.64 115.22 114.70 2kts n HIS 9 Ca 0.01 -0.43 -0.28 0.00 -0.26 0.00 0.00 57.72 56.76 2kts n HIS 9 Cb 0.01 -0.06 -0.16 0.00 1.12 0.00 0.00 29.99 30.90 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 -1.06 0.59 0.42 4.41 3.76 -0.65 -5.09 115.29 117.68 2kts s HIS 10 Ca 0.07 -0.74 -0.24 0.00 -0.15 0.00 0.00 55.06 53.99 2kts s HIS 10 Cb 0.06 -0.93 -0.08 0.00 1.11 0.00 0.00 32.58 32.74 2kts s HIS 10 CO 0.01 -0.66 1.18 0.50 -0.85 0.00 0.00 174.74 174.92 2kts s ARG 11 N 2.01 3.94 -0.11 1.40 3.52 -1.26 -4.47 118.95 123.97 2kts s ARG 11 Ca 0.04 1.85 -0.01 0.00 -0.13 0.00 0.00 55.73 57.48 2kts s ARG 11 Cb -0.16 -2.59 0.03 0.00 -1.56 0.00 0.00 34.95 30.67 2kts s ARG 11 CO -0.18 -0.42 -0.01 -0.06 -0.81 0.00 0.00 175.30 173.82 2kts s PHE 12 N -1.44 0.96 0.18 5.12 0.08 -0.47 -3.79 117.98 118.62 2kts s PHE 12 Ca 0.59 -0.47 -0.14 0.00 0.12 0.00 0.00 56.93 57.03 2kts s PHE 12 Cb -0.31 -0.96 -0.07 0.00 -0.57 0.00 0.00 43.02 41.11 2kts s PHE 12 CO 0.38 -0.44 0.58 0.54 -0.10 0.00 0.00 175.22 176.18 2kts s VAL 13 N 1.88 4.84 -0.79 -0.44 0.11 -0.95 -0.61 120.40 124.43 2kts s VAL 13 Ca 0.03 0.80 -0.25 0.00 -2.93 0.00 0.00 61.98 59.63 2kts s VAL 13 Cb -0.13 -3.71 -0.02 0.00 -1.53 0.00 0.00 36.38 30.98 2kts s VAL 13 CO -0.06 0.15 1.81 -0.22 -3.33 0.00 0.00 175.10 173.45 2kts s LEU 14 N -2.19 3.25 0.05 2.54 2.96 -0.52 -1.20 118.68 123.56 2kts s LEU 14 Ca 0.41 -0.33 -0.31 0.00 -0.22 0.00 0.00 54.13 53.68 2kts s LEU 14 Cb -0.14 -2.55 -0.18 0.00 0.50 0.00 0.00 46.19 43.82 2kts s LEU 14 CO 0.20 -2.41 1.48 -0.33 -1.32 0.00 0.00 176.35 173.97 2kts h GLU 15 N 12.50 -0.87 -3.29 1.98 4.39 -1.87 -3.45 114.58 123.98 2kts h GLU 15 Ca -0.07 0.06 -0.21 0.00 0.34 0.00 0.00 59.36 59.48 2kts h GLU 15 Cb 1.07 0.20 -0.29 0.00 -0.10 0.00 0.00 28.75 29.63 2kts h GLU 15 CO 1.24 -0.55 -0.56 -1.54 -1.16 0.00 0.00 179.01 176.43 2kts s SER 16 N -4.45 -0.15 0.85 1.42 1.04 -0.91 -4.10 113.70 107.40 2kts s SER 16 Ca -0.17 0.32 -0.12 0.00 0.48 0.00 0.00 55.95 56.47 2kts s SER 16 Cb 0.03 0.26 0.10 0.00 0.10 0.00 0.00 66.02 66.51 2kts s SER 16 CO 0.58 -0.11 1.10 -0.69 0.98 0.00 0.00 173.24 175.10 2kts s VAL 17 N 0.67 2.84 0.35 5.02 1.01 -0.97 -2.23 120.40 127.09 2kts s VAL 17 Ca -0.05 0.27 0.16 0.00 0.00 0.00 0.00 61.98 62.36 2kts s VAL 17 Cb -0.07 -2.89 0.34 0.00 0.00 0.00 0.00 36.38 33.76 2kts s VAL 17 CO -0.03 -0.35 1.67 -0.55 0.00 0.00 0.00 175.10 175.83 2kts h ASN 18 N -1.32 0.50 0.00 3.32 -1.07 -1.91 -3.17 115.58 111.93 2kts h ASN 18 Ca -0.48 0.18 0.00 0.00 0.07 0.00 0.00 56.30 56.07 2kts h ASN 18 Cb 1.28 0.13 0.00 0.00 -2.07 0.00 0.00 38.32 37.66 2kts h ASN 18 CO 0.57 -0.13 0.00 0.61 0.07 0.00 0.00 177.43 178.56 2kts n GLY 19 N -1.31 1.72 3.21 9.14 0.00 -1.26 -5.03 105.19 111.66 2kts n GLY 19 Ca 0.32 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.01 1.04 1.15 1.61 1.02 -1.20 -5.15 119.74 118.20 2kts s LYS 20 Ca 0.00 -1.41 -0.14 0.00 0.02 0.00 0.00 55.97 54.44 2kts s LYS 20 Cb 0.00 0.28 0.24 0.00 -0.52 0.00 0.00 37.83 37.84 2kts s LYS 20 CO 0.00 -0.33 0.80 -0.35 -0.92 0.00 0.00 175.35 174.55 2kts n PRO 21 N -0.16 -2.18 -4.41 -1.68 -0.04 -1.26 -2.29 135.00 122.99 2kts n PRO 21 Ca -0.04 -0.61 -0.26 0.00 -0.04 0.00 0.00 63.50 62.55 2kts n PRO 21 Cb 0.64 -2.07 -0.09 0.00 -0.04 0.00 0.00 33.50 31.93 2kts n PRO 21 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2kts s VAL 22 N -2.38 2.36 0.12 0.52 0.11 -1.26 -4.82 120.40 115.06 2kts s VAL 22 Ca 0.66 -1.98 0.05 0.00 -2.93 0.00 0.00 61.98 57.77 2kts s VAL 22 Cb -0.23 -2.84 -0.04 0.00 -1.53 0.00 0.00 36.38 31.74 2kts s VAL 22 CO 0.65 -0.13 -0.12 -0.89 -3.33 0.00 0.00 175.10 171.29 2kts s THR 23 N -2.59 1.16 -0.21 5.04 2.01 -1.26 -5.06 115.64 114.74 2kts s THR 23 Ca 0.35 -1.79 -0.16 0.00 0.31 0.00 0.00 61.69 60.40 2kts s THR 23 Cb 0.03 -1.56 0.06 0.00 0.01 0.00 0.00 72.50 71.04 2kts s THR 23 CO 0.19 -0.55 0.53 -0.94 -0.69 0.00 0.00 174.62 173.16 2kts s SER 24 N -2.65 -0.61 -0.88 3.53 1.04 -1.26 -4.96 113.70 107.91 2kts s SER 24 Ca 0.10 1.11 -0.11 0.00 0.48 0.00 0.00 55.95 57.53 2kts s SER 24 Cb -0.02 1.07 -0.08 0.00 0.10 0.00 0.00 66.02 67.09 2kts s SER 24 CO 0.01 -0.20 2.05 0.47 0.98 0.00 0.00 173.24 176.55 2kts n ASP 25 N 3.37 4.13 0.00 7.02 9.92 -1.26 -4.48 116.55 135.25 2kts n ASP 25 Ca -0.17 -2.44 0.00 0.00 -0.53 0.00 0.00 54.79 51.65 2kts n ASP 25 Cb 0.56 -1.11 0.00 0.00 -0.64 0.00 0.00 41.12 39.94 2kts n ASP 25 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2kts n LYS 26 N 5.12 -0.84 -3.59 -1.24 4.81 -1.26 -4.87 118.16 116.29 2kts n LYS 26 Ca 0.46 0.21 -0.27 0.00 -0.87 0.00 0.00 58.31 57.84 2kts n LYS 26 Cb 0.22 -4.47 -0.10 0.00 0.02 0.00 0.00 35.03 30.70 2kts n LYS 26 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2kts n ASN 27 N -0.42 2.02 -4.85 3.14 3.02 -1.26 -5.11 115.26 111.79 2kts n ASN 27 Ca 0.00 -3.00 -0.30 0.00 -0.03 0.00 0.00 54.58 51.25 2kts n ASN 27 Cb 0.21 -0.68 0.08 0.00 -0.61 0.00 0.00 39.78 38.78 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 -1.31 2.29 -1.06 3.52 0.04 -1.26 -4.81 135.00 132.40 2kts s PRO 28 Ca 0.31 0.46 -0.24 0.00 0.04 0.00 0.00 61.00 61.57 2kts s PRO 28 Cb 0.05 -1.96 -0.11 0.00 0.04 0.00 0.00 34.50 32.52 2kts s PRO 28 CO -0.13 -1.44 2.02 -1.25 0.04 0.00 0.00 177.00 176.24 2kts s PRO 29 N -5.31 2.14 0.47 0.56 0.04 -1.26 -4.90 135.00 126.73 2kts s PRO 29 Ca 0.60 -0.66 -0.01 0.00 0.04 0.00 0.00 61.00 60.98 2kts s PRO 29 Cb -0.13 -5.10 -0.01 0.00 0.04 0.00 0.00 34.50 29.30 2kts s PRO 29 CO 0.52 -4.23 0.71 -1.83 0.04 0.00 0.00 177.00 172.22 2kts s GLU 30 N 7.25 3.12 0.11 4.56 -1.05 -1.26 -1.44 118.70 129.98 2kts s GLU 30 Ca 0.74 -0.33 0.05 0.00 -0.15 0.00 0.00 54.97 55.28 2kts s GLU 30 Cb -0.04 -2.50 -0.04 0.00 -0.44 0.00 0.00 34.13 31.11 2kts s GLU 30 CO 0.11 -0.30 -0.13 -1.50 0.95 0.00 0.00 175.26 174.39 2kts s ILE 31 N -2.62 1.20 0.25 1.83 2.07 0.22 -3.43 121.20 120.72 2kts s ILE 31 Ca 0.48 -1.63 -0.04 0.00 -1.41 0.00 0.00 60.65 58.06 2kts s ILE 31 Cb -0.10 -1.41 -0.02 0.00 0.13 0.00 0.00 42.46 41.06 2kts s ILE 31 CO 0.40 -0.41 0.31 -0.55 -1.91 0.00 0.00 174.94 172.77 2kts s SER 32 N -2.33 0.37 0.14 4.50 0.15 0.06 -1.36 113.70 115.23 2kts s SER 32 Ca 0.06 -1.31 0.01 0.00 0.70 0.00 0.00 55.95 55.41 2kts s SER 32 Cb -0.05 0.51 -0.04 0.00 -1.71 0.00 0.00 66.02 64.72 2kts s SER 32 CO 0.02 -1.03 -0.01 -0.36 1.20 0.00 0.00 173.24 173.06 2kts s PHE 33 N -3.85 1.04 0.00 3.44 0.08 -1.26 -1.33 117.98 116.09 2kts s PHE 33 Ca 0.33 -1.02 0.00 0.00 0.12 0.00 0.00 56.93 56.36 2kts s PHE 33 Cb 0.03 -0.60 0.00 0.00 -0.57 0.00 0.00 43.02 41.88 2kts s PHE 33 CO 0.14 -0.25 0.00 0.41 -0.10 0.00 0.00 175.22 175.43 2kts n GLY 34 N -0.15 1.13 0.25 4.36 0.00 -1.10 -4.31 105.19 105.38 2kts n GLY 34 Ca -0.08 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.46 2kts n GLY 34 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2kts n GLU 35 N 0.00 -0.72 -1.25 1.61 0.28 -1.26 -4.62 120.64 114.68 2kts n GLU 35 Ca 0.00 0.54 -0.07 0.00 -0.16 0.00 0.00 57.16 57.46 2kts n GLU 35 Cb 0.00 -0.61 -0.03 0.00 1.43 0.00 0.00 31.44 32.23 2kts n GLU 35 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2kts n LYS 36 N -1.02 -1.20 -3.02 3.44 5.02 -1.26 -0.35 118.16 119.77 2kts n LYS 36 Ca 0.00 0.44 -0.21 0.00 -2.02 0.00 0.00 58.31 56.52 2kts n LYS 36 Cb 0.00 -4.59 0.01 0.00 -0.02 0.00 0.00 35.03 30.43 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 -1.53 -3.52 -0.73 1.97 2.81 -1.26 -4.41 117.12 110.46 2kts n MET 37 Ca -0.08 0.66 -0.29 0.00 -1.81 0.00 0.00 57.70 56.18 2kts n MET 37 Cb 0.25 -5.39 0.21 0.00 -0.71 0.00 0.00 33.22 27.58 2kts n MET 37 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kts s MET 38 N -5.66 -0.00 -0.05 0.03 0.00 0.52 -2.91 119.30 111.23 2kts s MET 38 Ca 0.27 1.01 0.01 0.00 0.00 0.00 0.00 55.69 56.97 2kts s MET 38 Cb -0.13 -1.65 0.02 0.00 0.00 0.00 0.00 34.83 33.07 2kts s MET 38 CO 0.33 -3.15 -0.03 0.42 0.00 0.00 0.00 175.02 172.58 2kts s ILE 39 N -2.61 0.47 0.10 3.16 1.01 0.36 -2.70 121.20 120.98 2kts s ILE 39 Ca 0.67 -0.06 0.10 0.00 0.00 0.00 0.00 60.65 61.36 2kts s ILE 39 Cb -0.23 -0.52 -0.04 0.00 0.01 0.00 0.00 42.46 41.68 2kts s ILE 39 CO 0.61 0.22 -0.26 -0.44 0.00 0.00 0.00 174.94 175.07 2kts s SER 40 N 1.08 3.29 0.00 3.58 0.01 -0.45 -1.77 113.70 119.44 2kts s SER 40 Ca -0.09 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 56.49 2kts s SER 40 Cb -0.14 -0.26 0.00 0.00 0.21 0.00 0.00 66.02 65.83 2kts s SER 40 CO -0.01 0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.46 2kts n GLY 41 N 1.21 -0.77 3.14 3.44 0.00 -1.12 -0.76 105.19 110.32 2kts n GLY 41 Ca -0.18 -1.09 0.03 0.00 0.00 0.00 0.00 46.02 44.78 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 0.00 -1.34 -0.00 1.61 1.04 -1.22 -2.50 113.70 111.28 2kts s SER 42 Ca 0.00 -0.16 -0.02 0.00 0.48 0.00 0.00 55.95 56.25 2kts s SER 42 Cb 0.00 1.78 -0.01 0.00 0.10 0.00 0.00 66.02 67.89 2kts s SER 42 CO 0.00 -0.21 0.46 0.24 0.98 0.00 0.00 173.24 174.71 2kts h MET 43 N 7.38 -0.07 0.00 4.02 2.86 -1.89 -3.38 114.93 123.85 2kts h MET 43 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2kts h MET 43 Cb 1.19 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.86 2kts h MET 43 CO 0.08 -0.05 -0.02 0.00 1.06 0.00 0.00 176.91 177.98 2kts n ASN 45 N -3.41 1.42 -0.81 0.00 3.02 -1.26 -4.91 115.26 109.32 2kts n ASN 45 Ca 0.00 -1.84 0.05 0.00 -0.03 0.00 0.00 54.58 52.76 2kts n ASN 45 Cb 0.01 -0.46 -0.01 0.00 -0.61 0.00 0.00 39.78 38.71 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 0.18 -0.78 -3.64 3.52 3.00 -1.26 -0.67 116.66 117.00 2kts n ARG 46 Ca 0.00 0.51 -0.03 0.00 -0.01 0.00 0.00 57.85 58.32 2kts n ARG 46 Cb 0.29 -0.95 -0.05 0.00 0.00 0.00 0.00 32.46 31.75 2kts n ARG 46 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.63 177.04 2kts s PHE 47 N -0.71 -0.07 -0.09 -1.55 -0.71 -1.04 -4.26 117.98 109.55 2kts s PHE 47 Ca 0.00 0.14 -0.19 0.00 -1.04 0.00 0.00 56.93 55.84 2kts s PHE 47 Cb 0.00 0.49 0.04 0.00 -1.21 0.00 0.00 43.02 42.34 2kts s PHE 47 CO 0.00 -0.05 0.46 -1.54 -1.34 0.00 0.00 175.22 172.75 2kts s SER 48 N -0.57 -0.41 -0.21 1.98 1.04 -1.16 -2.79 113.70 111.57 2kts s SER 48 Ca 0.08 0.56 -0.36 0.00 0.48 0.00 0.00 55.95 56.71 2kts s SER 48 Cb -0.03 0.62 0.15 0.00 0.10 0.00 0.00 66.02 66.86 2kts s SER 48 CO -0.11 -0.38 1.39 -0.83 0.98 0.00 0.00 173.24 174.30 2kts s GLY 49 N -0.69 -0.32 -0.70 7.32 0.00 -0.73 -0.80 107.32 111.39 2kts s GLY 49 Ca -0.08 1.52 -0.26 0.00 0.00 0.00 0.00 44.72 45.91 2kts s GLY 49 CO 0.04 0.45 1.87 -0.54 0.00 0.00 0.00 173.10 174.92 2kts s GLU 50 N -2.06 2.63 1.10 2.90 2.02 -1.26 -0.49 118.70 123.54 2kts s GLU 50 Ca 0.13 0.32 -0.17 0.00 0.02 0.00 0.00 54.97 55.27 2kts s GLU 50 Cb 0.02 -4.58 0.24 0.00 0.10 0.00 0.00 34.13 29.91 2kts s GLU 50 CO -0.04 -2.89 1.14 0.20 0.02 0.00 0.00 175.26 173.69 2kts s GLY 51 N 7.94 1.61 -0.06 -1.39 0.00 -1.15 -3.37 107.32 110.91 2kts s GLY 51 Ca 0.67 -0.85 -0.29 0.00 0.00 0.00 0.00 44.72 44.25 2kts s GLY 51 CO 0.14 -0.06 0.81 1.25 0.00 0.00 0.00 173.10 175.24 2kts s LYS 52 N -5.40 0.89 -0.05 2.90 2.20 -1.22 -4.03 119.74 115.03 2kts s LYS 52 Ca 0.70 0.05 0.02 0.00 -0.36 0.00 0.00 55.97 56.38 2kts s LYS 52 Cb -0.11 0.41 0.02 0.00 -1.51 0.00 0.00 37.83 36.64 2kts s LYS 52 CO 0.55 -0.31 -0.09 -1.17 -0.36 0.00 0.00 175.35 173.97 2kts s LEU 53 N -1.53 1.55 0.00 5.43 2.96 -1.26 -4.31 118.68 121.51 2kts s LEU 53 Ca -0.04 -0.22 0.00 0.00 -0.22 0.00 0.00 54.13 53.65 2kts s LEU 53 Cb -0.00 -0.65 0.00 0.00 0.50 0.00 0.00 46.19 46.03 2kts s LEU 53 CO 0.02 0.01 0.00 -0.24 -1.32 0.00 0.00 176.35 174.81 2kts n SER 54 N 3.83 0.16 -0.40 3.68 2.88 -1.26 -4.69 113.62 117.81 2kts n SER 54 Ca -0.23 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.31 2kts n SER 54 Cb 0.52 0.02 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 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 -0.41 0.00 0.00 -3.46 6.94 -1.26 -5.00 115.26 112.07 2kts n ASN 55 Ca 0.00 -1.54 0.00 0.00 -0.02 0.00 0.00 54.58 53.02 2kts n ASN 55 Cb 0.01 -0.11 0.00 0.00 -2.36 0.00 0.00 39.78 37.32 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 0.00 0.43 3.13 4.83 0.00 -1.26 -5.02 105.19 107.29 2kts n GLY 56 Ca 0.00 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.41 0.34 -0.31 1.61 2.12 -1.26 -0.56 118.70 118.22 2kts s GLU 57 Ca 0.00 0.17 0.03 0.00 0.36 0.00 0.00 54.97 55.53 2kts s GLU 57 Cb 0.00 0.16 0.09 0.00 0.26 0.00 0.00 34.13 34.64 2kts s GLU 57 CO 0.00 -0.06 0.03 -1.17 -0.54 0.00 0.00 175.26 173.52 2kts s LEU 58 N -0.23 3.93 0.60 2.70 2.96 0.46 -4.37 118.68 124.73 2kts s LEU 58 Ca -0.03 -1.88 -0.04 0.00 -0.22 0.00 0.00 54.13 51.96 2kts s LEU 58 Cb -0.03 -1.43 0.03 0.00 0.50 0.00 0.00 46.19 45.26 2kts s LEU 58 CO 0.01 -0.35 0.88 0.42 -1.32 0.00 0.00 176.35 175.99 2kts s THR 59 N 1.11 3.08 -0.23 3.68 -4.23 -1.26 -2.21 115.64 115.57 2kts s THR 59 Ca 0.07 -0.27 -0.02 0.00 -1.18 0.00 0.00 61.69 60.29 2kts s THR 59 Cb -0.19 -3.23 0.07 0.00 1.34 0.00 0.00 72.50 70.49 2kts s THR 59 CO -0.11 -0.22 0.03 0.00 -0.54 0.00 0.00 174.62 173.79 2kts s ALA 60 N -2.97 1.32 -2.00 3.99 0.00 0.19 -3.93 121.76 118.35 2kts s ALA 60 Ca 0.56 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 51.49 2kts s ALA 60 Cb -0.10 -1.34 0.22 0.00 0.00 0.00 0.00 23.12 21.90 2kts s ALA 60 CO 0.43 -1.30 0.61 1.63 0.00 0.00 0.00 175.76 177.13 2kts n LYS 61 N 4.93 0.36 0.00 0.00 5.02 -1.22 -4.24 118.16 123.01 2kts n LYS 61 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 2kts n LYS 61 Cb 0.45 -1.16 0.00 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 -0.52 0.00 0.00 177.40 177.29 2kts n GLY 62 N -0.18 -1.04 2.69 0.72 0.00 -1.26 -5.07 105.19 101.05 2kts n GLY 62 Ca 0.03 0.24 -0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.33 -7.90 -4.57 0.99 7.94 -1.26 -4.95 117.00 104.93 2kts n LEU 63 Ca 0.00 1.39 -0.41 0.00 -1.11 0.00 0.00 56.01 55.88 2kts n LEU 63 Cb 0.00 -3.31 -0.03 0.00 0.53 0.00 0.00 43.42 40.62 2kts n LEU 63 CO 0.00 -3.14 1.29 0.00 -1.11 0.00 0.00 177.39 174.44 2kts s ALA 64 N -1.62 2.70 0.39 1.96 0.00 0.02 -4.84 121.76 120.37 2kts s ALA 64 Ca 0.01 -0.80 0.08 0.00 0.00 0.00 0.00 51.96 51.24 2kts s ALA 64 Cb -0.00 -4.16 -0.03 0.00 0.00 0.00 0.00 23.12 18.93 2kts s ALA 64 CO 0.77 -3.14 0.31 -1.64 0.00 0.00 0.00 175.76 172.06 2kts s MET 65 N 5.78 2.51 0.00 0.00 -1.94 -1.26 -3.00 119.30 121.39 2kts s MET 65 Ca 0.51 -1.54 0.00 0.00 -1.71 0.00 0.00 55.69 52.95 2kts s MET 65 Cb -0.11 -2.32 0.00 0.00 2.01 0.00 0.00 34.83 34.42 2kts s MET 65 CO 0.22 -0.10 0.00 0.25 -0.01 0.00 0.00 175.02 175.38 2kts n THR 66 N -1.44 0.00 -3.40 2.05 -2.24 0.15 -5.04 114.28 104.37 2kts n THR 66 Ca 0.01 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.53 2kts n THR 66 Cb 0.62 -0.63 -0.10 0.00 -2.10 0.00 0.00 70.33 68.11 2kts n THR 66 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kts s ARG 67 N 0.58 0.76 0.35 -0.78 3.03 -1.26 -4.94 118.95 116.68 2kts s ARG 67 Ca 0.00 -1.72 0.04 0.00 2.03 0.00 0.00 55.73 56.08 2kts s ARG 67 Cb 0.00 -1.29 -0.03 0.00 -1.03 0.00 0.00 34.95 32.60 2kts s ARG 67 CO 0.00 -1.31 0.18 -1.64 -1.13 0.00 0.00 175.30 171.40 2kts s MET 68 N 0.53 1.75 0.36 3.89 -1.94 -1.26 -5.13 119.30 117.50 2kts s MET 68 Ca 0.26 -2.03 0.05 0.00 -1.71 0.00 0.00 55.69 52.26 2kts s MET 68 Cb -0.07 -0.17 -0.03 0.00 2.01 0.00 0.00 34.83 36.56 2kts s MET 68 CO -0.11 -0.51 0.18 0.00 -0.01 0.00 0.00 175.02 174.57 2kts s MET 69 N -3.69 1.80 0.00 2.03 0.23 -1.26 -4.76 119.30 113.65 2kts s MET 69 Ca 0.33 -2.07 -0.05 0.00 -1.03 0.00 0.00 55.69 52.86 2kts s MET 69 Cb 0.03 -0.21 -0.00 0.00 -1.53 0.00 0.00 34.83 33.12 2kts s MET 69 CO 0.19 -0.52 0.10 0.00 -2.03 0.00 0.00 175.02 172.75 2kts n ALA 71 N 1.56 2.33 -3.15 0.00 0.00 -1.26 -4.46 120.51 115.53 2kts n ALA 71 Ca -0.23 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.09 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 -0.04 -0.23 0.50 0.00 2.47 -1.26 -5.07 114.94 111.31 2kts s ASN 72 Ca 0.00 0.39 0.29 0.00 0.42 0.00 0.00 52.86 53.96 2kts s ASN 72 Cb 0.00 0.47 1.14 0.00 -1.45 0.00 0.00 41.25 41.41 2kts s ASN 72 CO 0.00 -0.16 1.91 1.55 -3.72 0.00 0.00 177.10 176.67 2kts h PRO 73 N 5.36 0.00 -0.95 0.43 0.13 -2.00 -3.06 132.00 131.89 2kts h PRO 73 Ca -0.27 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.02 2kts h PRO 73 Cb 1.19 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 2kts h PRO 73 CO 0.36 0.11 0.60 0.37 -0.23 0.00 0.00 178.00 179.21 2kts h GLN 74 N 0.00 0.72 0.01 0.86 4.15 -1.97 -0.71 115.11 118.16 2kts h GLN 74 Ca -0.00 -0.04 -0.19 0.00 0.77 0.00 0.00 58.65 59.19 2kts h GLN 74 Cb 0.62 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.14 2kts h GLN 74 CO 0.01 0.47 -0.87 -0.07 -1.93 0.00 0.00 178.83 176.45 2kts h LEU 75 N 0.74 0.12 -0.01 -2.39 3.38 -1.87 -1.77 115.31 113.51 2kts h LEU 75 Ca 0.50 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.37 2kts h LEU 75 Cb 0.80 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2kts h LEU 75 CO -0.27 0.93 0.00 -3.20 0.09 0.00 0.00 178.44 175.99 2kts n ASN 76 N -3.59 0.74 0.03 -0.43 5.15 -0.39 -1.77 115.26 115.00 2kts n ASN 76 Ca -0.02 0.57 -0.20 0.00 -0.60 0.00 0.00 54.58 54.33 2kts n ASN 76 Cb 0.81 -0.77 -0.14 0.00 -0.53 0.00 0.00 39.78 39.15 2kts n ASN 76 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 2kts h GLU 77 N 0.00 0.27 -0.39 1.20 4.39 -1.19 -3.39 114.58 115.47 2kts h GLU 77 Ca 0.00 -0.46 -0.08 0.00 0.34 0.00 0.00 59.36 59.15 2kts h GLU 77 Cb 0.71 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.51 2kts h GLU 77 CO 0.00 1.22 -0.11 -0.07 -1.16 0.00 0.00 179.01 178.90 2kts h LEU 78 N -0.41 0.66 -1.37 1.33 3.38 -0.92 -1.01 115.31 116.97 2kts h LEU 78 Ca -0.16 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 2kts h LEU 78 Cb 1.62 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.17 2kts h LEU 78 CO 0.13 0.80 0.20 -2.24 0.09 0.00 0.00 178.44 177.42 2kts h ASP 79 N 0.62 0.57 -0.00 -0.43 2.03 -1.57 0.28 116.42 117.92 2kts h ASP 79 Ca 0.11 -0.05 -0.04 0.00 -0.73 0.00 0.00 57.03 56.32 2kts h ASP 79 Cb 0.54 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 38.90 2kts h ASP 79 CO 0.03 0.50 -0.14 -1.13 -1.03 0.00 0.00 179.24 177.47 2kts h ASN 80 N 0.63 0.13 -0.32 4.15 -1.24 -1.59 -2.43 115.58 114.91 2kts h ASN 80 Ca 0.16 -0.77 0.04 0.00 0.71 0.00 0.00 56.30 56.44 2kts h ASN 80 Cb 0.09 -0.04 -0.08 0.00 0.73 0.00 0.00 38.32 39.02 2kts h ASN 80 CO -0.02 0.89 -0.55 0.74 -1.29 0.00 0.00 177.43 177.20 2kts h THR 81 N -0.61 0.01 -0.20 -3.57 2.02 -1.04 -1.76 112.91 107.76 2kts h THR 81 Ca -0.02 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.04 2kts h THR 81 Cb 0.91 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 2kts h THR 81 CO 0.03 0.00 -0.40 -0.29 0.37 0.00 0.00 175.52 175.22 2kts h ILE 82 N -0.46 1.30 -0.31 3.11 6.09 -1.02 -1.48 117.51 124.76 2kts h ILE 82 Ca 0.06 -1.56 0.02 0.00 -1.37 0.00 0.00 64.86 62.01 2kts h ILE 82 Cb 0.62 1.59 -0.02 0.00 0.47 0.00 0.00 36.82 39.49 2kts h ILE 82 CO -0.55 0.48 0.17 0.28 -3.07 0.00 0.00 178.15 175.46 2kts h SER 83 N 0.38 0.26 -0.40 2.19 0.02 -0.99 -2.49 113.55 112.52 2kts h SER 83 Ca 0.03 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.91 2kts h SER 83 Cb 0.88 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.36 2kts h SER 83 CO 0.07 0.19 -0.08 -0.08 -1.14 0.00 0.00 176.83 175.80 2kts h GLU 84 N 0.34 0.75 -0.22 3.45 4.81 -1.11 -2.68 114.58 119.92 2kts h GLU 84 Ca 0.12 -0.28 0.01 0.00 -0.13 0.00 0.00 59.36 59.08 2kts h GLU 84 Cb 0.02 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 2kts h GLU 84 CO -0.07 0.88 0.14 0.52 -0.73 0.00 0.00 179.01 179.75 2kts h MET 85 N 0.57 0.27 0.00 1.92 2.86 -1.05 -2.02 114.93 117.48 2kts h MET 85 Ca 0.10 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 2kts h MET 85 Cb 0.59 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.19 2kts h MET 85 CO 0.04 0.18 -0.03 -0.07 1.06 0.00 0.00 176.91 178.09 2kts h LEU 86 N 0.28 0.00 -0.40 1.22 -0.00 -1.50 -0.79 115.31 114.12 2kts h LEU 86 Ca 0.09 0.00 -0.18 0.00 -0.00 0.00 0.00 57.88 57.79 2kts h LEU 86 Cb -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.64 2kts h LEU 86 CO -0.03 0.03 -0.61 0.50 -0.00 0.00 0.00 178.44 178.32 2kts h LYS 87 N 0.00 0.64 0.00 1.13 1.63 -1.02 0.56 116.57 119.50 2kts h LYS 87 Ca -0.00 -0.44 -0.25 0.00 -0.85 0.00 0.00 60.65 59.12 2kts h LYS 87 Cb 0.85 0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.50 2kts h LYS 87 CO 0.00 1.06 -1.55 0.93 -3.45 0.00 0.00 179.45 176.44 2kts h GLU 88 N 0.47 0.00 0.00 1.90 5.08 -1.13 -3.46 114.58 117.45 2kts h GLU 88 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2kts h GLU 88 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2kts h GLU 88 CO 0.12 0.47 0.00 0.41 -1.00 0.00 0.00 179.01 179.01 2kts n GLY 89 N 1.49 1.49 3.70 -3.84 0.00 -0.33 -5.01 105.19 102.70 2kts n GLY 89 Ca -0.13 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 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 3.26 0.38 4.61 0.00 -0.94 -4.79 121.76 124.27 2kts s ALA 90 Ca 0.00 0.56 -0.28 0.00 0.00 0.00 0.00 51.96 52.24 2kts s ALA 90 Cb 0.00 -3.38 -0.10 0.00 0.00 0.00 0.00 23.12 19.63 2kts s ALA 90 CO 0.00 -0.36 1.41 -0.65 0.00 0.00 0.00 175.76 176.16 2kts s GLN 91 N 1.28 4.10 -0.19 0.00 1.11 0.55 -0.40 119.66 126.11 2kts s GLN 91 Ca 0.53 2.41 0.00 0.00 0.01 0.00 0.00 55.36 58.31 2kts s GLN 91 Cb -0.22 -2.93 0.04 0.00 -1.01 0.00 0.00 33.01 28.89 2kts s GLN 91 CO 0.26 -0.47 -0.08 0.08 0.01 0.00 0.00 175.29 175.09 2kts s VAL 92 N -1.15 1.40 -0.43 1.09 1.01 0.27 -2.62 120.40 119.97 2kts s VAL 92 Ca 0.53 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.72 2kts s VAL 92 Cb -0.43 -1.54 0.23 0.00 0.00 0.00 0.00 36.38 34.64 2kts s VAL 92 CO 0.58 0.14 0.51 0.47 0.00 0.00 0.00 175.10 176.79 2kts n ASP 93 N 4.77 0.50 -4.59 3.32 8.00 -0.49 -4.58 116.55 123.47 2kts n ASP 93 Ca -0.13 -2.72 -0.42 0.00 0.71 0.00 0.00 54.79 52.22 2kts n ASP 93 Cb 0.47 -0.63 -0.02 0.00 -0.02 0.00 0.00 41.12 40.92 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 -1.09 3.50 0.00 0.64 1.98 -1.26 -1.68 118.68 120.78 2kts s LEU 94 Ca 0.35 0.63 0.00 0.00 -2.89 0.00 0.00 54.13 52.22 2kts s LEU 94 Cb 0.14 -3.32 0.00 0.00 0.66 0.00 0.00 46.19 43.66 2kts s LEU 94 CO -0.12 -1.59 0.00 1.07 -1.89 0.00 0.00 176.35 173.82 2kts n THR 95 N 7.03 0.00 -0.27 3.68 5.66 -0.76 -4.51 114.28 125.10 2kts n THR 95 Ca 0.15 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.19 2kts n THR 95 Cb 0.49 -1.19 0.12 0.00 -1.55 0.00 0.00 70.33 68.19 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 0.62 0.00 1.79 0.00 -2.04 -3.35 119.26 114.27 2kts h ALA 96 Ca 0.00 0.29 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 2kts h ALA 96 Cb 0.00 0.56 -0.14 0.00 0.00 0.00 0.00 17.79 18.21 2kts h ALA 96 CO 0.00 -0.42 -0.33 0.27 0.00 0.00 0.00 179.25 178.77 2kts n ASN 97 N -5.47 -0.65 -3.74 0.00 0.23 -1.26 -5.09 115.26 99.28 2kts n ASN 97 Ca 0.12 -1.86 -0.21 0.00 -0.53 0.00 0.00 54.58 52.11 2kts n ASN 97 Cb 0.44 0.19 -0.17 0.00 -2.08 0.00 0.00 39.78 38.15 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 0.28 -0.02 -3.83 0.74 -1.26 -3.05 119.66 112.52 2kts s GLN 98 Ca 0.03 0.21 -0.30 0.00 0.05 0.00 0.00 55.36 55.35 2kts s GLN 98 Cb 0.04 -0.69 -0.06 0.00 1.10 0.00 0.00 33.01 33.40 2kts s GLN 98 CO -0.02 -0.28 1.48 -1.17 -0.55 0.00 0.00 175.29 174.75 2kts s LEU 99 N 1.86 4.31 -0.22 3.68 2.96 -0.11 -1.83 118.68 129.34 2kts s LEU 99 Ca 0.02 2.16 0.02 0.00 -0.22 0.00 0.00 54.13 56.10 2kts s LEU 99 Cb -0.12 -3.55 0.05 0.00 0.50 0.00 0.00 46.19 43.06 2kts s LEU 99 CO -0.04 -0.79 -0.13 -0.89 -1.32 0.00 0.00 176.35 173.19 2kts s THR 100 N 2.87 1.95 0.14 3.68 2.01 -0.68 -2.61 115.64 123.00 2kts s THR 100 Ca 0.66 -1.25 0.11 0.00 0.31 0.00 0.00 61.69 61.52 2kts s THR 100 Cb -0.32 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 2kts s THR 100 CO 0.27 0.16 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.35 2kts s LEU 101 N 1.25 2.34 0.10 4.42 1.43 -0.99 -1.39 118.68 125.84 2kts s LEU 101 Ca -0.03 -0.76 -0.06 0.00 -1.03 0.00 0.00 54.13 52.25 2kts s LEU 101 Cb -0.17 -1.14 -0.01 0.00 0.03 0.00 0.00 46.19 44.89 2kts s LEU 101 CO -0.08 0.14 0.14 0.00 0.23 0.00 0.00 176.35 176.79 2kts s ALA 102 N -1.19 0.08 0.00 4.21 0.00 -1.08 -1.78 121.76 122.00 2kts s ALA 102 Ca 0.14 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.22 2kts s ALA 102 Cb -0.10 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.56 2kts s ALA 102 CO 0.06 -0.50 0.00 2.41 0.00 0.00 0.00 175.76 177.73 2kts n THR 103 N -0.05 0.00 -0.14 0.00 -1.04 -0.88 -0.33 114.28 111.84 2kts n THR 103 Ca -0.13 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.83 2kts n THR 103 Cb 0.62 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 69.16 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 1.79 0.54 -0.02 2.41 0.00 -1.95 -3.36 119.26 118.67 2kts h ALA 104 Ca 0.00 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2kts h ALA 104 Cb 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2kts h ALA 104 CO 0.00 -0.16 -0.28 -0.22 0.00 0.00 0.00 179.25 178.59 2kts h LYS 105 N 0.41 -0.33 0.00 0.00 3.11 -1.95 -3.48 116.57 114.34 2kts h LYS 105 Ca 0.19 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.05 2kts h LYS 105 Cb 0.11 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.42 2kts h LYS 105 CO -0.15 -0.22 0.00 0.00 -2.81 0.00 0.00 179.45 176.27 2kts n GLN 106 N -4.05 0.00 -4.38 1.90 10.64 -1.26 -5.15 117.38 115.08 2kts n GLN 106 Ca -0.04 0.00 -0.25 0.00 -1.83 0.00 0.00 57.00 54.88 2kts n GLN 106 Cb 0.21 0.00 -0.13 0.00 -0.86 0.00 0.00 30.24 29.46 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 -2.66 1.81 0.23 -0.39 -1.32 -1.26 -2.07 115.64 109.99 2kts s THR 107 Ca 0.00 -1.52 0.11 0.00 -1.21 0.00 0.00 61.69 59.07 2kts s THR 107 Cb 0.00 -1.62 -0.05 0.00 -1.51 0.00 0.00 72.50 69.32 2kts s THR 107 CO 0.00 0.02 -0.22 -0.76 -2.21 0.00 0.00 174.62 171.45 2kts s LEU 108 N -1.80 2.51 -0.35 9.08 1.02 -0.73 -2.79 118.68 125.61 2kts s LEU 108 Ca 0.08 -0.95 -0.00 0.00 0.02 0.00 0.00 54.13 53.28 2kts s LEU 108 Cb -0.10 -1.11 0.13 0.00 0.02 0.00 0.00 46.19 45.13 2kts s LEU 108 CO 0.04 0.07 0.18 -0.89 0.02 0.00 0.00 176.35 175.77 2kts s THR 109 N -2.12 0.46 0.35 5.49 2.01 -0.95 -2.34 115.64 118.55 2kts s THR 109 Ca 0.25 -1.65 -0.06 0.00 0.31 0.00 0.00 61.69 60.54 2kts s THR 109 Cb -0.06 -1.35 -0.05 0.00 0.01 0.00 0.00 72.50 71.05 2kts s THR 109 CO 0.12 -0.87 0.64 -0.31 -0.69 0.00 0.00 174.62 173.51 2kts s TYR 110 N 1.21 3.49 -0.01 4.92 1.51 -1.07 -2.14 117.35 125.25 2kts s TYR 110 Ca 0.15 0.74 0.02 0.00 -1.01 0.00 0.00 57.07 56.97 2kts s TYR 110 Cb -0.21 -2.20 -0.03 0.00 -0.11 0.00 0.00 41.96 39.41 2kts s TYR 110 CO -0.10 0.03 -0.02 0.21 -1.11 0.00 0.00 175.55 174.56 2kts s LYS 111 N -3.86 2.74 -0.78 -0.62 2.36 -0.34 -0.93 119.74 118.31 2kts s LYS 111 Ca 0.46 -0.61 -0.19 0.00 -2.55 0.00 0.00 55.97 53.07 2kts s LYS 111 Cb -0.10 -2.63 -0.14 0.00 -1.05 0.00 0.00 37.83 33.91 2kts s LYS 111 CO 0.33 0.63 1.94 -0.11 1.55 0.00 0.00 175.35 179.69 2kts n LEU 112 N 1.59 4.16 -4.17 5.43 7.94 -1.17 -2.25 117.00 128.53 2kts n LEU 112 Ca -0.15 -2.86 -0.44 0.00 -1.11 0.00 0.00 56.01 51.45 2kts n LEU 112 Cb 0.53 -1.10 0.00 0.00 0.53 0.00 0.00 43.42 43.38 2kts n LEU 112 CO 0.32 -0.22 0.94 0.00 -1.11 0.00 0.00 177.39 177.33 2kts n ALA 113 N 6.90 4.68 -1.43 1.96 0.00 -1.25 -4.88 120.51 126.49 2kts n ALA 113 Ca 0.48 -4.74 -0.19 0.00 0.00 0.00 0.00 53.44 49.00 2kts n ALA 113 Cb 0.35 -2.39 0.15 0.00 0.00 0.00 0.00 19.45 17.57 2kts n ALA 113 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kts n ASP 114 N 2.01 4.12 -0.29 0.00 2.03 -1.26 -4.66 116.55 118.51 2kts n ASP 114 Ca 0.25 -3.73 -0.04 0.00 0.52 0.00 0.00 54.79 51.79 2kts n ASP 114 Cb 0.36 -0.74 -0.02 0.00 -0.72 0.00 0.00 41.12 40.01 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 -1.05 0.36 -0.97 -2.67 4.77 -1.26 -4.84 117.00 111.34 2kts n LEU 115 Ca 0.49 0.09 0.11 0.00 -0.03 0.00 0.00 56.01 56.67 2kts n LEU 115 Cb 1.16 -2.20 0.26 0.00 -2.33 0.00 0.00 43.42 40.31 2kts n LEU 115 CO 0.46 -0.83 0.72 1.15 -1.33 0.00 0.00 177.39 177.56 2kts n MET 116 N -0.35 2.27 0.00 3.23 0.00 -1.26 -5.26 117.12 115.75 2kts n MET 116 Ca -0.04 -1.92 0.00 0.00 0.00 0.00 0.00 57.70 55.74 2kts n MET 116 Cb 0.44 -1.47 0.00 0.00 0.00 0.00 0.00 33.22 32.19 2kts n MET 116 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26