#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 0.03 -4.42 1.12 3.14 -1.26 -4.99 118.33 111.95 2kts n VAL 2 Ca 0.00 -0.01 -0.22 0.00 -2.96 0.00 0.00 64.34 61.16 2kts n VAL 2 Cb 0.00 -1.53 -0.10 0.00 -1.06 0.00 0.00 33.84 31.15 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 1.05 2.18 0.18 1.55 -4.23 -1.26 -4.85 115.64 110.27 2kts s THR 3 Ca 0.80 -2.33 -0.05 0.00 -1.18 0.00 0.00 61.69 58.93 2kts s THR 3 Cb -0.69 -2.19 -0.05 0.00 1.34 0.00 0.00 72.50 70.91 2kts s THR 3 CO 0.39 -0.48 1.51 1.55 -0.54 0.00 0.00 174.62 177.05 2kts h PRO 4 N 2.40 0.64 0.27 3.99 0.13 -1.94 -3.25 132.00 134.24 2kts h PRO 4 Ca -0.39 -0.38 -0.00 0.00 -0.87 0.00 0.00 66.00 64.36 2kts h PRO 4 Cb 1.24 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2kts h PRO 4 CO 0.61 0.99 -0.22 1.49 -0.23 0.00 0.00 178.00 180.63 2kts h GLU 5 N 0.51 -0.49 -1.04 0.86 4.22 -1.99 -1.46 114.58 115.18 2kts h GLU 5 Ca 0.02 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.50 2kts h GLU 5 Cb 1.05 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2kts h GLU 5 CO 0.10 -0.33 0.00 0.00 -2.18 0.00 0.00 179.01 176.60 2kts n GLN 6 N -5.35 0.35 0.00 1.92 10.64 -1.23 -2.35 117.38 121.36 2kts n GLN 6 Ca -0.09 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.08 2kts n GLN 6 Cb 0.26 -1.26 0.00 0.00 -0.86 0.00 0.00 30.24 28.38 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 0.59 0.00 0.00 2.61 4.77 -1.08 -4.88 117.00 119.01 2kts n LEU 7 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2kts n LEU 7 Cb 0.13 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2kts n LEU 7 CO 0.00 -0.47 0.35 0.00 -1.33 0.00 0.00 177.39 175.94 2kts n GLN 8 N -2.44 0.00 -0.04 3.23 6.02 -0.57 -1.25 117.38 122.32 2kts n GLN 8 Ca 0.00 0.11 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 2kts n GLN 8 Cb 0.00 -1.71 0.00 0.00 1.02 0.00 0.00 30.24 29.55 2kts n GLN 8 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 2kts n HIS 9 N -0.99 0.00 -3.62 1.08 1.44 -1.20 -2.73 115.22 109.20 2kts n HIS 9 Ca 0.00 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.51 2kts n HIS 9 Cb 0.21 0.04 -0.01 0.00 0.12 0.00 0.00 29.99 30.35 2kts n HIS 9 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2kts s HIS 10 N 0.00 3.17 0.05 -1.40 3.76 -0.38 -4.98 115.29 115.50 2kts s HIS 10 Ca 0.00 -0.18 0.06 0.00 -0.15 0.00 0.00 55.06 54.79 2kts s HIS 10 Cb 0.00 -1.87 -0.02 0.00 1.11 0.00 0.00 32.58 31.80 2kts s HIS 10 CO 0.00 0.12 -0.18 0.50 -0.85 0.00 0.00 174.74 174.33 2kts s ARG 11 N -4.11 1.17 0.03 1.40 3.52 -1.26 -3.26 118.95 116.44 2kts s ARG 11 Ca 0.42 -0.88 0.02 0.00 -0.13 0.00 0.00 55.73 55.16 2kts s ARG 11 Cb -0.09 -1.26 -0.02 0.00 -1.56 0.00 0.00 34.95 32.02 2kts s ARG 11 CO 0.30 0.31 -0.07 -0.06 -0.81 0.00 0.00 175.30 174.97 2kts s PHE 12 N -0.85 0.61 0.10 5.12 0.40 -0.83 -2.62 117.98 119.91 2kts s PHE 12 Ca 0.05 -0.42 0.10 0.00 -0.60 0.00 0.00 56.93 56.05 2kts s PHE 12 Cb -0.08 -0.37 -0.04 0.00 0.51 0.00 0.00 43.02 43.04 2kts s PHE 12 CO 0.02 -0.07 -0.24 0.08 0.70 0.00 0.00 175.22 175.70 2kts s VAL 13 N -1.15 2.00 -1.25 -0.44 1.01 -0.90 -1.14 120.40 118.53 2kts s VAL 13 Ca -0.08 -1.60 -0.19 0.00 0.00 0.00 0.00 61.98 60.11 2kts s VAL 13 Cb -0.08 -1.78 0.03 0.00 0.00 0.00 0.00 36.38 34.55 2kts s VAL 13 CO 0.00 0.07 1.77 -0.22 0.00 0.00 0.00 175.10 176.73 2kts s LEU 14 N -1.85 3.62 0.37 3.92 2.96 -1.24 -1.74 118.68 124.72 2kts s LEU 14 Ca 0.11 -2.18 0.05 0.00 -0.22 0.00 0.00 54.13 51.88 2kts s LEU 14 Cb -0.10 -2.58 0.71 0.00 0.50 0.00 0.00 46.19 44.72 2kts s LEU 14 CO 0.05 -1.68 1.99 -0.08 -1.32 0.00 0.00 176.35 175.31 2kts h GLU 15 N 8.27 0.64 -1.71 1.98 4.22 -1.88 -3.42 114.58 122.68 2kts h GLU 15 Ca 0.37 -0.06 0.03 0.00 0.08 0.00 0.00 59.36 59.78 2kts h GLU 15 Cb 0.90 -0.13 -0.24 0.00 0.50 0.00 0.00 28.75 29.78 2kts h GLU 15 CO 1.40 0.48 0.39 -1.12 -2.18 0.00 0.00 179.01 177.98 2kts s SER 16 N -6.63 -0.51 0.31 1.04 0.01 -1.18 -4.42 113.70 102.33 2kts s SER 16 Ca -0.09 0.84 0.03 0.00 1.31 0.00 0.00 55.95 58.04 2kts s SER 16 Cb 0.17 0.80 -0.03 0.00 0.21 0.00 0.00 66.02 67.17 2kts s SER 16 CO 0.75 -0.27 0.47 -0.69 0.41 0.00 0.00 173.24 173.91 2kts s VAL 17 N -0.25 4.92 0.49 3.43 1.01 -0.39 -2.37 120.40 127.24 2kts s VAL 17 Ca -0.00 -0.75 0.25 0.00 0.00 0.00 0.00 61.98 61.47 2kts s VAL 17 Cb -0.03 -3.76 0.43 0.00 0.00 0.00 0.00 36.38 33.01 2kts s VAL 17 CO -0.01 -0.39 1.89 -1.13 0.00 0.00 0.00 175.10 175.46 2kts h ASN 18 N 0.91 0.17 0.03 3.32 -1.24 -1.92 -2.95 115.58 113.90 2kts h ASN 18 Ca -0.50 0.02 -0.00 0.00 0.71 0.00 0.00 56.30 56.53 2kts h ASN 18 Cb 1.23 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 40.27 2kts h ASN 18 CO 0.60 0.07 -0.01 1.23 -1.29 0.00 0.00 177.43 178.02 2kts h GLY 19 N 0.17 -0.04 -2.81 1.57 0.00 -1.94 -3.50 103.07 96.52 2kts h GLY 19 Ca 0.42 0.02 0.19 0.00 0.00 0.00 0.00 47.33 47.96 2kts h GLY 19 CO -0.08 -0.02 0.57 0.54 0.00 0.00 0.00 176.54 177.55 2kts s LYS 20 N -2.20 0.89 0.98 4.80 1.02 -1.12 -5.16 119.74 118.95 2kts s LYS 20 Ca -0.11 -0.45 -0.11 0.00 0.02 0.00 0.00 55.97 55.32 2kts s LYS 20 Cb -0.01 0.34 0.15 0.00 -0.52 0.00 0.00 37.83 37.78 2kts s LYS 20 CO 0.40 -0.40 0.95 -0.35 -0.92 0.00 0.00 175.35 175.02 2kts n PRO 21 N -0.38 -0.83 -3.74 -1.68 -0.04 -1.26 -1.27 135.00 125.80 2kts n PRO 21 Ca -0.07 -0.19 -0.15 0.00 -0.04 0.00 0.00 63.50 63.05 2kts n PRO 21 Cb 0.61 -2.22 -0.16 0.00 -0.04 0.00 0.00 33.50 31.69 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 -2.54 -0.08 -0.03 0.52 0.11 -1.26 -4.81 120.40 112.30 2kts s VAL 22 Ca 0.65 0.24 0.01 0.00 -2.93 0.00 0.00 61.98 59.95 2kts s VAL 22 Cb -0.23 -0.17 0.02 0.00 -1.53 0.00 0.00 36.38 34.47 2kts s VAL 22 CO 0.61 0.10 -0.02 0.42 -3.33 0.00 0.00 175.10 172.88 2kts s THR 23 N 1.36 0.32 -0.54 5.04 -4.23 -1.26 -4.86 115.64 111.47 2kts s THR 23 Ca -0.06 -0.02 0.07 0.00 -1.18 0.00 0.00 61.69 60.49 2kts s THR 23 Cb -0.12 -0.38 0.27 0.00 1.34 0.00 0.00 72.50 73.61 2kts s THR 23 CO -0.04 0.17 0.72 -1.20 -0.54 0.00 0.00 174.62 173.72 2kts n SER 24 N 3.97 2.73 0.00 3.99 7.64 -1.26 -5.02 113.62 125.67 2kts n SER 24 Ca -0.25 -3.26 0.00 0.00 1.01 0.00 0.00 58.87 56.37 2kts n SER 24 Cb 0.51 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 2kts n SER 24 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2kts n ASP 25 N 0.77 0.00 0.00 6.43 -0.08 -1.26 -0.88 116.55 121.53 2kts n ASP 25 Ca 0.27 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.55 2kts n ASP 25 Cb 0.46 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.92 2kts n ASP 25 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2kts n LYS 26 N 0.00 0.00 -3.51 -0.67 4.81 -1.26 -5.00 118.16 112.53 2kts n LYS 26 Ca 0.00 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.17 2kts n LYS 26 Cb 0.00 -0.08 -0.09 0.00 0.02 0.00 0.00 35.03 34.88 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 0.00 2.79 -4.32 3.14 3.02 -0.06 -5.10 115.26 114.73 2kts n ASN 27 Ca 0.00 -3.21 -0.29 0.00 -0.03 0.00 0.00 54.58 51.05 2kts n ASN 27 Cb 0.05 -0.68 0.21 0.00 -0.61 0.00 0.00 39.78 38.75 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 -1.87 -0.34 -0.44 3.52 0.04 -1.26 -4.66 135.00 130.00 2kts s PRO 28 Ca 0.35 0.25 -0.14 0.00 0.04 0.00 0.00 61.00 61.50 2kts s PRO 28 Cb 0.10 -1.67 -0.14 0.00 0.04 0.00 0.00 34.50 32.83 2kts s PRO 28 CO -0.08 -3.19 1.66 -0.35 0.04 0.00 0.00 177.00 175.08 2kts n PRO 29 N -4.45 0.94 -1.90 0.56 -0.04 -1.26 -4.89 135.00 123.96 2kts n PRO 29 Ca 0.08 -1.21 -0.29 0.00 -0.04 0.00 0.00 63.50 62.04 2kts n PRO 29 Cb 0.58 -2.47 0.09 0.00 -0.04 0.00 0.00 33.50 31.66 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 5.03 2.01 -0.05 0.54 -1.05 -1.26 -3.60 118.70 120.32 2kts s GLU 30 Ca 0.41 0.13 -0.07 0.00 -0.15 0.00 0.00 54.97 55.28 2kts s GLU 30 Cb 0.10 -1.95 0.01 0.00 -0.44 0.00 0.00 34.13 31.85 2kts s GLU 30 CO 0.10 -1.57 0.19 -1.50 0.95 0.00 0.00 175.26 173.43 2kts s ILE 31 N -3.57 0.03 0.02 1.83 2.07 -0.30 -3.67 121.20 117.62 2kts s ILE 31 Ca 0.62 -0.23 -0.00 0.00 -1.41 0.00 0.00 60.65 59.63 2kts s ILE 31 Cb -0.11 -0.34 -0.02 0.00 0.13 0.00 0.00 42.46 42.11 2kts s ILE 31 CO 0.49 -0.13 -0.03 -0.94 -1.91 0.00 0.00 174.94 172.43 2kts s SER 32 N -0.42 0.25 -0.05 4.50 1.04 -0.55 -1.97 113.70 116.50 2kts s SER 32 Ca -0.05 -0.52 0.03 0.00 0.48 0.00 0.00 55.95 55.89 2kts s SER 32 Cb -0.03 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.20 2kts s SER 32 CO 0.01 -0.32 -0.14 -0.36 0.98 0.00 0.00 173.24 173.41 2kts s PHE 33 N -1.58 1.54 0.00 5.02 0.40 -1.20 -1.82 117.98 120.34 2kts s PHE 33 Ca -0.15 -0.50 0.00 0.00 -0.60 0.00 0.00 56.93 55.69 2kts s PHE 33 Cb -0.09 -1.08 0.00 0.00 0.51 0.00 0.00 43.02 42.36 2kts s PHE 33 CO -0.01 -0.21 0.00 0.41 0.70 0.00 0.00 175.22 176.11 2kts n GLY 34 N 3.44 4.08 1.20 4.36 0.00 -1.24 -3.22 105.19 113.81 2kts n GLY 34 Ca -0.20 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.69 2kts n GLY 34 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kts n GLU 35 N -0.25 0.50 -0.05 1.61 2.13 -1.10 -3.07 120.64 120.39 2kts n GLU 35 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2kts n GLU 35 Cb 0.00 -1.25 0.00 0.00 0.27 0.00 0.00 31.44 30.46 2kts n GLU 35 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2kts n LYS 36 N 1.02 0.00 -1.52 5.31 4.76 -1.26 -4.97 118.16 121.50 2kts n LYS 36 Ca 0.00 -0.08 -0.14 0.00 -2.87 0.00 0.00 58.31 55.22 2kts n LYS 36 Cb 0.25 -0.07 -0.06 0.00 -1.84 0.00 0.00 35.03 33.31 2kts n LYS 36 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2kts n MET 37 N 0.00 -1.39 -1.20 1.97 2.81 -1.18 -4.80 117.12 113.33 2kts n MET 37 Ca 0.00 0.83 -0.30 0.00 -1.81 0.00 0.00 57.70 56.43 2kts n MET 37 Cb 0.50 -5.13 0.14 0.00 -0.71 0.00 0.00 33.22 28.02 2kts n MET 37 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 2kts s MET 38 N -3.40 1.15 -0.01 0.03 -1.94 -1.26 -1.23 119.30 112.65 2kts s MET 38 Ca 0.00 0.78 0.01 0.00 -1.71 0.00 0.00 55.69 54.77 2kts s MET 38 Cb 0.00 -1.80 0.00 0.00 2.01 0.00 0.00 34.83 35.04 2kts s MET 38 CO 0.00 -2.30 -0.03 0.42 -0.01 0.00 0.00 175.02 173.10 2kts s ILE 39 N -2.94 0.27 -0.11 2.53 1.01 -0.57 -3.67 121.20 117.73 2kts s ILE 39 Ca 0.64 -0.11 -0.04 0.00 0.00 0.00 0.00 60.65 61.14 2kts s ILE 39 Cb -0.18 -0.25 0.05 0.00 0.01 0.00 0.00 42.46 42.09 2kts s ILE 39 CO 0.57 0.09 0.18 -0.94 0.00 0.00 0.00 174.94 174.84 2kts s SER 40 N 0.13 0.84 0.15 3.58 1.04 -0.75 -3.07 113.70 115.61 2kts s SER 40 Ca -0.01 0.27 -0.05 0.00 0.48 0.00 0.00 55.95 56.64 2kts s SER 40 Cb -0.04 0.32 0.02 0.00 0.10 0.00 0.00 66.02 66.42 2kts s SER 40 CO -0.00 -0.26 0.29 0.61 0.98 0.00 0.00 173.24 174.86 2kts n GLY 41 N 5.33 1.84 3.09 7.32 0.00 -1.19 -1.48 105.19 120.10 2kts n GLY 41 Ca -0.05 -1.19 -0.02 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.84 -0.96 0.16 1.61 1.04 -1.24 -1.42 113.70 111.05 2kts s SER 42 Ca 0.08 -0.56 -0.11 0.00 0.48 0.00 0.00 55.95 55.84 2kts s SER 42 Cb -0.02 1.69 0.02 0.00 0.10 0.00 0.00 66.02 67.81 2kts s SER 42 CO 0.06 -0.24 1.58 0.24 0.98 0.00 0.00 173.24 175.86 2kts h MET 43 N 7.44 0.95 0.00 4.02 2.86 -1.89 -3.37 114.93 124.94 2kts h MET 43 Ca 0.02 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 2kts h MET 43 Cb 1.16 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.75 2kts h MET 43 CO 0.15 1.01 0.00 0.00 1.06 0.00 0.00 176.91 179.13 2kts n ASN 45 N -3.18 3.14 -1.45 0.00 3.02 -1.26 -4.97 115.26 110.57 2kts n ASN 45 Ca 0.00 -2.30 0.18 0.00 -0.03 0.00 0.00 54.58 52.44 2kts n ASN 45 Cb 0.00 -0.56 -0.07 0.00 -0.61 0.00 0.00 39.78 38.53 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 0.20 -3.15 -3.75 3.52 1.74 -1.26 -0.39 116.66 113.56 2kts n ARG 46 Ca 0.11 2.41 -0.08 0.00 -0.77 0.00 0.00 57.85 59.52 2kts n ARG 46 Cb 0.72 -3.75 -0.02 0.00 -1.02 0.00 0.00 32.46 28.38 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 -3.56 -0.24 -0.28 -1.55 -0.71 -0.51 -4.47 117.98 106.67 2kts s PHE 47 Ca 0.00 -0.14 -0.22 0.00 -1.04 0.00 0.00 56.93 55.52 2kts s PHE 47 Cb 0.00 0.63 0.09 0.00 -1.21 0.00 0.00 43.02 42.52 2kts s PHE 47 CO 0.00 -1.11 0.79 -1.54 -1.34 0.00 0.00 175.22 172.02 2kts s SER 48 N -2.88 -0.72 -0.05 1.98 1.04 -1.09 -3.15 113.70 108.83 2kts s SER 48 Ca 0.09 1.32 -0.31 0.00 0.48 0.00 0.00 55.95 57.53 2kts s SER 48 Cb -0.04 1.33 0.11 0.00 0.10 0.00 0.00 66.02 67.52 2kts s SER 48 CO 0.02 -0.22 1.06 -0.83 0.98 0.00 0.00 173.24 174.24 2kts s GLY 49 N 0.71 -0.37 -0.63 7.32 0.00 -1.18 -1.87 107.32 111.30 2kts s GLY 49 Ca -0.02 1.06 -0.27 0.00 0.00 0.00 0.00 44.72 45.49 2kts s GLY 49 CO -0.06 0.34 1.59 -0.54 0.00 0.00 0.00 173.10 174.43 2kts s GLU 50 N -2.82 2.95 1.21 2.90 2.02 -1.26 -1.51 118.70 122.20 2kts s GLU 50 Ca 0.09 0.35 -0.20 0.00 0.02 0.00 0.00 54.97 55.22 2kts s GLU 50 Cb -0.00 -4.27 0.30 0.00 0.10 0.00 0.00 34.13 30.26 2kts s GLU 50 CO -0.05 -2.37 1.03 0.41 0.02 0.00 0.00 175.26 174.29 2kts n GLY 51 N 5.51 -2.91 3.40 -1.39 0.00 -0.36 -4.12 105.19 105.32 2kts n GLY 51 Ca 0.14 -1.47 -0.11 0.00 0.00 0.00 0.00 46.02 44.58 2kts n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kts s LYS 52 N -5.35 1.21 -0.11 1.61 2.20 -1.21 -4.57 119.74 113.53 2kts s LYS 52 Ca 0.68 -0.68 -0.05 0.00 -0.36 0.00 0.00 55.97 55.55 2kts s LYS 52 Cb -0.07 0.52 0.05 0.00 -1.51 0.00 0.00 37.83 36.81 2kts s LYS 52 CO 0.53 -0.50 0.25 -1.17 -0.36 0.00 0.00 175.35 174.09 2kts s LEU 53 N -2.81 0.37 0.00 5.43 1.98 -1.26 -4.25 118.68 118.14 2kts s LEU 53 Ca 0.04 0.54 0.00 0.00 -2.89 0.00 0.00 54.13 51.82 2kts s LEU 53 Cb 0.00 0.75 0.00 0.00 0.66 0.00 0.00 46.19 47.60 2kts s LEU 53 CO -0.10 -0.17 0.00 -0.24 -1.89 0.00 0.00 176.35 173.95 2kts n SER 54 N 4.28 0.00 -1.27 3.68 2.88 -1.26 -4.90 113.62 117.03 2kts n SER 54 Ca -0.25 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.33 2kts n SER 54 Cb 0.53 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.08 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 -0.88 1.51 -2.53 -3.46 6.94 -1.26 -4.96 115.26 110.62 2kts n ASN 55 Ca 0.00 -2.82 -0.21 0.00 -0.02 0.00 0.00 54.58 51.53 2kts n ASN 55 Cb 0.00 -0.40 0.00 0.00 -2.36 0.00 0.00 39.78 37.02 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 -0.25 -0.48 2.99 4.83 0.00 -1.26 -4.97 105.19 106.05 2kts n GLY 56 Ca 0.13 0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 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 -5.23 0.63 -0.41 1.61 2.12 -1.26 -1.10 118.70 115.05 2kts s GLU 57 Ca 0.09 -0.27 0.04 0.00 0.36 0.00 0.00 54.97 55.20 2kts s GLU 57 Cb -0.04 -0.61 0.11 0.00 0.26 0.00 0.00 34.13 33.85 2kts s GLU 57 CO 0.12 0.15 0.14 -1.17 -0.54 0.00 0.00 175.26 173.96 2kts s LEU 58 N -0.14 4.47 -0.11 2.70 2.96 0.70 -4.27 118.68 124.99 2kts s LEU 58 Ca 0.02 -2.49 -0.09 0.00 -0.22 0.00 0.00 54.13 51.35 2kts s LEU 58 Cb -0.03 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 2kts s LEU 58 CO -0.00 -0.32 0.20 0.42 -1.32 0.00 0.00 176.35 175.33 2kts s THR 59 N 0.45 5.39 -0.57 3.68 -4.23 -1.26 -2.18 115.64 116.92 2kts s THR 59 Ca 0.13 0.35 0.04 0.00 -1.18 0.00 0.00 61.69 61.03 2kts s THR 59 Cb -0.22 -3.49 0.15 0.00 1.34 0.00 0.00 72.50 70.29 2kts s THR 59 CO -0.05 0.56 0.35 0.00 -0.54 0.00 0.00 174.62 174.95 2kts s ALA 60 N -0.69 3.15 0.06 3.99 0.00 0.44 -3.32 121.76 125.39 2kts s ALA 60 Ca 0.16 -3.31 0.16 0.00 0.00 0.00 0.00 51.96 48.97 2kts s ALA 60 Cb -0.13 -2.07 0.88 0.00 0.00 0.00 0.00 23.12 21.80 2kts s ALA 60 CO 0.05 -2.05 1.42 1.57 0.00 0.00 0.00 175.76 176.74 2kts h LYS 61 N 6.05 0.00 -0.42 0.00 5.09 -1.83 -3.02 116.57 122.44 2kts h LYS 61 Ca 0.05 0.00 -0.26 0.00 0.09 0.00 0.00 60.65 60.53 2kts h LYS 61 Cb 0.85 0.00 -0.29 0.00 0.10 0.00 0.00 32.23 32.89 2kts h LYS 61 CO 0.64 0.00 -0.79 0.41 -2.09 0.00 0.00 179.45 177.62 2kts n GLY 62 N -1.27 1.64 3.70 0.07 0.00 -1.26 -5.10 105.19 102.96 2kts n GLY 62 Ca -0.01 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.61 3.60 -4.36 0.99 7.94 -1.14 -4.54 117.00 118.88 2kts n LEU 63 Ca 0.00 1.21 -0.19 0.00 -1.11 0.00 0.00 56.01 55.92 2kts n LEU 63 Cb 0.83 -1.49 -0.10 0.00 0.53 0.00 0.00 43.42 43.19 2kts n LEU 63 CO 0.05 -0.45 -0.40 0.00 -1.11 0.00 0.00 177.39 175.48 2kts s ALA 64 N -1.06 2.05 0.33 1.96 0.00 -0.78 -4.98 121.76 119.29 2kts s ALA 64 Ca 0.56 -1.73 -0.06 0.00 0.00 0.00 0.00 51.96 50.72 2kts s ALA 64 Cb -0.57 0.07 0.01 0.00 0.00 0.00 0.00 23.12 22.63 2kts s ALA 64 CO 0.62 -0.02 0.52 -1.64 0.00 0.00 0.00 175.76 175.24 2kts s MET 65 N -3.70 1.90 0.44 0.00 -1.94 -1.26 -2.67 119.30 112.07 2kts s MET 65 Ca 0.25 -1.63 0.01 0.00 -1.71 0.00 0.00 55.69 52.61 2kts s MET 65 Cb 0.02 0.48 0.01 0.00 2.01 0.00 0.00 34.83 37.34 2kts s MET 65 CO 0.08 -0.81 0.07 0.25 -0.01 0.00 0.00 175.02 174.60 2kts n THR 66 N -0.53 0.00 -3.78 2.05 -2.24 0.47 -5.03 114.28 105.23 2kts n THR 66 Ca -0.01 -2.01 -0.29 0.00 -2.27 0.00 0.00 64.05 59.47 2kts n THR 66 Cb 0.61 0.31 -0.13 0.00 -2.10 0.00 0.00 70.33 69.03 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 -3.64 1.66 0.00 -0.78 1.04 -1.26 -4.85 118.95 111.12 2kts s ARG 67 Ca 0.05 -2.43 0.00 0.00 -1.04 0.00 0.00 55.73 52.31 2kts s ARG 67 Cb -0.00 -2.72 0.00 0.00 -2.04 0.00 0.00 34.95 30.18 2kts s ARG 67 CO 0.03 -1.19 0.00 -1.33 -0.04 0.00 0.00 175.30 172.77 2kts n MET 68 N 3.07 1.09 -4.12 3.89 2.81 -1.26 -5.16 117.12 117.44 2kts n MET 68 Ca 0.12 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.87 2kts n MET 68 Cb 0.35 0.00 -0.07 0.00 -0.71 0.00 0.00 33.22 32.79 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 -0.84 1.59 -0.03 0.03 0.23 -1.26 -4.92 119.30 114.11 2kts s MET 69 Ca 0.00 -1.63 0.04 0.00 -1.03 0.00 0.00 55.69 53.07 2kts s MET 69 Cb 0.00 0.38 0.06 0.00 -1.53 0.00 0.00 34.83 33.74 2kts s MET 69 CO 0.00 -0.62 0.87 0.00 -2.03 0.00 0.00 175.02 173.25 2kts n ALA 71 N -0.42 -0.01 -2.28 0.00 0.00 -1.26 -4.95 120.51 111.60 2kts n ALA 71 Ca 0.03 0.01 -0.15 0.00 0.00 0.00 0.00 53.44 53.34 2kts n ALA 71 Cb 0.50 -1.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.39 2kts n ALA 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kts s ASN 72 N -2.03 1.44 -0.09 0.00 4.22 -1.26 -5.09 114.94 112.12 2kts s ASN 72 Ca 0.00 -1.20 -0.22 0.00 -2.14 0.00 0.00 52.86 49.31 2kts s ASN 72 Cb 0.00 0.08 -0.28 0.00 1.28 0.00 0.00 41.25 42.33 2kts s ASN 72 CO 0.00 -0.55 0.73 1.55 -2.04 0.00 0.00 177.10 176.79 2kts h PRO 73 N 2.60 0.20 -0.44 3.55 0.13 -1.99 -3.38 132.00 132.67 2kts h PRO 73 Ca -0.37 -0.34 0.09 0.00 -0.87 0.00 0.00 66.00 64.50 2kts h PRO 73 Cb 1.21 0.13 -0.10 0.00 0.13 0.00 0.00 31.00 32.37 2kts h PRO 73 CO 0.63 1.16 -0.31 0.37 -0.23 0.00 0.00 178.00 179.63 2kts h GLN 74 N -0.54 -0.21 -0.71 0.86 4.15 -1.99 -0.04 115.11 116.64 2kts h GLN 74 Ca -0.17 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.27 2kts h GLN 74 Cb 1.51 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 29.21 2kts h GLN 74 CO 0.07 -0.14 0.46 -0.07 -1.93 0.00 0.00 178.83 177.22 2kts h LEU 75 N -0.21 0.83 0.00 -2.39 3.38 -1.85 0.16 115.31 115.22 2kts h LEU 75 Ca 0.19 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2kts h LEU 75 Cb 0.53 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2kts h LEU 75 CO -0.56 0.62 0.00 -3.20 0.09 0.00 0.00 178.44 175.38 2kts n ASN 76 N -4.41 0.00 -0.02 -0.43 2.85 -0.07 -1.58 115.26 111.60 2kts n ASN 76 Ca 0.07 -0.11 0.01 0.00 -0.11 0.00 0.00 54.58 54.44 2kts n ASN 76 Cb 0.05 -0.23 -0.05 0.00 1.24 0.00 0.00 39.78 40.78 2kts n ASN 76 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2kts n GLU 77 N -1.23 1.41 -0.11 1.20 0.00 -0.37 -4.54 120.64 117.00 2kts n GLU 77 Ca 0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 57.16 57.20 2kts n GLU 77 Cb 0.14 -1.17 0.20 0.00 0.00 0.00 0.00 31.44 30.62 2kts n GLU 77 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 2kts h LEU 78 N 0.00 0.73 -1.73 4.31 4.07 -0.40 0.18 115.31 122.47 2kts h LEU 78 Ca -0.08 -0.14 0.08 0.00 0.08 0.00 0.00 57.88 57.83 2kts h LEU 78 Cb 0.79 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 42.31 2kts h LEU 78 CO 0.00 0.74 0.34 -2.24 -1.08 0.00 0.00 178.44 176.20 2kts h ASP 79 N 0.75 0.28 0.50 -0.43 2.03 -1.53 -1.12 116.42 116.89 2kts h ASP 79 Ca 0.16 0.00 -0.26 0.00 -0.73 0.00 0.00 57.03 56.21 2kts h ASP 79 Cb 0.32 -0.05 -0.04 0.00 -0.83 0.00 0.00 39.33 38.72 2kts h ASP 79 CO 0.00 0.17 -1.69 0.59 -1.03 0.00 0.00 179.24 177.29 2kts n ASN 80 N -4.47 0.78 0.12 4.15 3.02 -0.82 -3.23 115.26 114.82 2kts n ASN 80 Ca 0.07 0.36 -0.09 0.00 -0.03 0.00 0.00 54.58 54.90 2kts n ASN 80 Cb 0.34 0.13 -0.05 0.00 -0.61 0.00 0.00 39.78 39.59 2kts n ASN 80 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 2kts h THR 81 N 0.00 0.00 -0.38 3.41 2.02 -0.03 -2.97 112.91 114.96 2kts h THR 81 Ca -0.27 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.86 2kts h THR 81 Cb 1.89 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 2kts h THR 81 CO 0.06 0.00 0.01 -0.29 0.37 0.00 0.00 175.52 175.67 2kts h ILE 82 N -0.47 1.21 -0.67 3.11 6.09 -1.38 -2.72 117.51 122.69 2kts h ILE 82 Ca -0.02 -0.83 -0.06 0.00 -1.37 0.00 0.00 64.86 62.58 2kts h ILE 82 Cb 0.42 0.91 -0.03 0.00 0.47 0.00 0.00 36.82 38.59 2kts h ILE 82 CO -0.06 0.29 0.19 0.28 -3.07 0.00 0.00 178.15 175.78 2kts h SER 83 N 0.57 0.99 0.16 2.19 0.02 -1.52 -1.88 113.55 114.09 2kts h SER 83 Ca 0.12 -0.22 -0.30 0.00 -0.84 0.00 0.00 61.79 60.55 2kts h SER 83 Cb 0.35 -0.26 0.03 0.00 0.14 0.00 0.00 62.40 62.65 2kts h SER 83 CO 0.01 0.95 -1.24 -0.33 -1.14 0.00 0.00 176.83 175.08 2kts h GLU 84 N 0.99 0.60 -0.18 3.45 5.08 -1.48 -3.17 114.58 119.87 2kts h GLU 84 Ca 0.21 -0.81 0.02 0.00 -1.00 0.00 0.00 59.36 57.79 2kts h GLU 84 Cb 0.33 0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 2kts h GLU 84 CO -0.00 1.36 0.03 0.52 -1.00 0.00 0.00 179.01 179.92 2kts h MET 85 N 0.27 0.10 0.00 2.33 2.86 -1.16 -1.75 114.93 117.58 2kts h MET 85 Ca -0.18 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.38 2kts h MET 85 Cb 1.91 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 33.54 2kts h MET 85 CO 0.24 0.07 -0.32 -0.07 1.06 0.00 0.00 176.91 177.88 2kts h LEU 86 N 0.10 0.00 -0.00 1.22 -0.00 -1.50 -0.55 115.31 114.58 2kts h LEU 86 Ca 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.96 2kts h LEU 86 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.74 2kts h LEU 86 CO -0.11 0.32 -0.02 0.50 -0.00 0.00 0.00 178.44 179.13 2kts h LYS 87 N 0.00 0.02 -0.34 1.13 1.63 -1.31 0.13 116.57 117.82 2kts h LYS 87 Ca -0.00 -0.02 -0.16 0.00 -0.85 0.00 0.00 60.65 59.62 2kts h LYS 87 Cb 0.83 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.46 2kts h LYS 87 CO 0.04 0.71 -0.40 0.93 -3.45 0.00 0.00 179.45 177.27 2kts h GLU 88 N -0.66 0.84 0.00 1.90 4.39 -1.35 -3.43 114.58 116.27 2kts h GLU 88 Ca -0.00 -0.45 0.00 0.00 0.34 0.00 0.00 59.36 59.25 2kts h GLU 88 Cb 0.71 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 2kts h GLU 88 CO 0.00 1.08 0.00 0.41 -1.16 0.00 0.00 179.01 179.35 2kts n GLY 89 N 0.11 1.74 3.75 -3.84 0.00 -0.33 -4.98 105.19 101.64 2kts n GLY 89 Ca -0.02 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 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 3.50 0.25 4.61 0.00 -0.50 -4.77 121.76 124.85 2kts s ALA 90 Ca 0.00 1.11 -0.30 0.00 0.00 0.00 0.00 51.96 52.78 2kts s ALA 90 Cb 0.00 -3.46 -0.09 0.00 0.00 0.00 0.00 23.12 19.57 2kts s ALA 90 CO 0.00 -0.51 1.31 -0.65 0.00 0.00 0.00 175.76 175.91 2kts s GLN 91 N -0.66 4.39 -0.11 0.00 1.11 0.08 -0.21 119.66 124.24 2kts s GLN 91 Ca 0.53 2.11 0.01 0.00 0.01 0.00 0.00 55.36 58.01 2kts s GLN 91 Cb -0.37 -3.15 0.02 0.00 -1.01 0.00 0.00 33.01 28.50 2kts s GLN 91 CO 0.42 -0.22 -0.11 0.54 0.01 0.00 0.00 175.29 175.93 2kts s VAL 92 N -0.34 1.25 -0.34 1.09 0.11 -0.26 -2.96 120.40 118.96 2kts s VAL 92 Ca 0.54 -0.46 -0.01 0.00 -2.93 0.00 0.00 61.98 59.12 2kts s VAL 92 Cb -0.38 -1.20 0.13 0.00 -1.53 0.00 0.00 36.38 33.40 2kts s VAL 92 CO 0.43 0.40 0.19 -0.62 -3.33 0.00 0.00 175.10 172.17 2kts s ASP 93 N 1.36 3.15 -0.50 3.54 -1.08 -0.06 -4.47 116.67 118.61 2kts s ASP 93 Ca -0.00 -2.00 -0.22 0.00 -0.52 0.00 0.00 52.55 49.81 2kts s ASP 93 Cb -0.14 -0.43 0.04 0.00 -1.46 0.00 0.00 42.92 40.93 2kts s ASP 93 CO -0.06 -0.34 0.78 -0.22 0.52 0.00 0.00 175.17 175.86 2kts s LEU 94 N 1.27 4.41 0.00 -1.34 1.98 -1.26 -0.44 118.68 123.30 2kts s LEU 94 Ca 0.16 -0.43 0.00 0.00 -2.89 0.00 0.00 54.13 50.97 2kts s LEU 94 Cb -0.21 -2.76 0.00 0.00 0.66 0.00 0.00 46.19 43.88 2kts s LEU 94 CO -0.08 -1.00 0.00 1.07 -1.89 0.00 0.00 176.35 174.45 2kts n THR 95 N 5.99 0.00 -0.33 3.68 5.66 -0.66 -4.12 114.28 124.50 2kts n THR 95 Ca -0.01 0.00 0.22 0.00 -3.05 0.00 0.00 64.05 61.21 2kts n THR 95 Cb 0.47 -0.78 0.44 0.00 -1.55 0.00 0.00 70.33 68.91 2kts n THR 95 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kts h ALA 96 N -2.00 1.83 0.00 1.79 0.00 -2.01 -3.37 119.26 115.50 2kts h ALA 96 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2kts h ALA 96 Cb 0.00 0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2kts h ALA 96 CO 0.00 -0.57 0.00 0.27 0.00 0.00 0.00 179.25 178.95 2kts n ASN 97 N -5.10 0.00 -4.06 0.00 0.23 -1.26 -5.11 115.26 99.96 2kts n ASN 97 Ca 0.30 -1.00 -0.26 0.00 -0.53 0.00 0.00 54.58 53.09 2kts n ASN 97 Cb 0.94 0.00 -0.17 0.00 -2.08 0.00 0.00 39.78 38.47 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 1.97 0.07 -3.83 0.74 -1.26 -2.01 119.66 115.34 2kts s GLN 98 Ca 0.00 -0.51 -0.29 0.00 0.05 0.00 0.00 55.36 54.62 2kts s GLN 98 Cb 0.00 -1.59 -0.05 0.00 1.10 0.00 0.00 33.01 32.47 2kts s GLN 98 CO 0.00 0.05 0.91 -1.17 -0.55 0.00 0.00 175.29 174.54 2kts s LEU 99 N 0.61 4.46 -0.14 3.68 2.96 0.44 -1.66 118.68 129.03 2kts s LEU 99 Ca -0.15 1.67 0.00 0.00 -0.22 0.00 0.00 54.13 55.43 2kts s LEU 99 Cb -0.16 -3.48 -0.01 0.00 0.50 0.00 0.00 46.19 43.03 2kts s LEU 99 CO 0.05 -0.09 -0.14 -0.89 -1.32 0.00 0.00 176.35 173.96 2kts s THR 100 N 0.21 2.87 0.32 3.68 2.01 0.41 -2.24 115.64 122.90 2kts s THR 100 Ca 0.46 -0.72 0.09 0.00 0.31 0.00 0.00 61.69 61.83 2kts s THR 100 Cb -0.22 -2.21 -0.04 0.00 0.01 0.00 0.00 72.50 70.04 2kts s THR 100 CO 0.27 0.52 0.09 -0.76 -0.69 0.00 0.00 174.62 174.05 2kts s LEU 101 N 0.54 3.20 0.12 4.42 1.02 -0.84 -0.88 118.68 126.26 2kts s LEU 101 Ca -0.09 -0.79 -0.14 0.00 0.02 0.00 0.00 54.13 53.13 2kts s LEU 101 Cb -0.16 -1.66 0.02 0.00 0.02 0.00 0.00 46.19 44.41 2kts s LEU 101 CO 0.04 -0.22 0.35 0.00 0.02 0.00 0.00 176.35 176.54 2kts s ALA 102 N -2.42 -0.70 0.24 4.21 0.00 -1.15 -3.79 121.76 118.14 2kts s ALA 102 Ca 0.36 -0.25 -0.20 0.00 0.00 0.00 0.00 51.96 51.86 2kts s ALA 102 Cb -0.03 0.67 0.07 0.00 0.00 0.00 0.00 23.12 23.83 2kts s ALA 102 CO 0.21 -0.62 0.96 0.99 0.00 0.00 0.00 175.76 177.31 2kts s THR 103 N -3.83 0.00 0.27 0.00 2.01 -0.86 -0.75 115.64 112.48 2kts s THR 103 Ca 0.05 -0.71 -0.01 0.00 0.31 0.00 0.00 61.69 61.33 2kts s THR 103 Cb 0.02 -2.86 0.28 0.00 0.01 0.00 0.00 72.50 69.96 2kts s THR 103 CO -0.10 0.00 1.66 0.00 -0.69 0.00 0.00 174.62 175.49 2kts h ALA 104 N 2.00 1.14 -1.30 7.40 0.00 -1.96 -3.14 119.26 123.41 2kts h ALA 104 Ca -0.29 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2kts h ALA 104 Cb 1.23 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2kts h ALA 104 CO 0.37 -0.41 0.00 1.63 0.00 0.00 0.00 179.25 180.84 2kts n LYS 105 N -5.20 0.00 -2.35 0.00 5.02 -1.26 -5.02 118.16 109.35 2kts n LYS 105 Ca 0.18 0.33 -0.03 0.00 -2.02 0.00 0.00 58.31 56.78 2kts n LYS 105 Cb 0.59 -1.28 0.01 0.00 -0.02 0.00 0.00 35.03 34.33 2kts n LYS 105 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kts n GLN 106 N -1.43 0.44 -3.70 1.97 10.64 -1.19 -5.17 117.38 118.93 2kts n GLN 106 Ca 0.00 -0.89 -0.21 0.00 -1.83 0.00 0.00 57.00 54.08 2kts n GLN 106 Cb 0.00 1.13 -0.03 0.00 -0.86 0.00 0.00 30.24 30.48 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 -2.50 3.40 0.02 -0.39 -1.32 -1.26 -2.03 115.64 111.55 2kts s THR 107 Ca 0.08 -1.32 -0.00 0.00 -1.21 0.00 0.00 61.69 59.25 2kts s THR 107 Cb -0.02 -3.16 -0.02 0.00 -1.51 0.00 0.00 72.50 67.79 2kts s THR 107 CO 0.04 -0.13 -0.03 -0.76 -2.21 0.00 0.00 174.62 171.53 2kts s LEU 108 N -4.05 2.25 -0.26 9.08 1.43 -1.25 -3.15 118.68 122.73 2kts s LEU 108 Ca 0.43 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 2kts s LEU 108 Cb -0.06 0.10 0.07 0.00 0.03 0.00 0.00 46.19 46.33 2kts s LEU 108 CO 0.27 -0.31 -0.05 -0.89 0.23 0.00 0.00 176.35 175.60 2kts s THR 109 N -1.56 1.79 0.20 5.49 2.01 -1.00 -1.98 115.64 120.58 2kts s THR 109 Ca -0.15 -1.49 0.07 0.00 0.31 0.00 0.00 61.69 60.44 2kts s THR 109 Cb -0.09 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 2kts s THR 109 CO -0.01 -0.16 0.03 -0.31 -0.69 0.00 0.00 174.62 173.48 2kts s TYR 110 N 1.25 2.88 -0.04 4.92 1.51 -0.95 -3.08 117.35 123.84 2kts s TYR 110 Ca -0.04 -0.14 0.04 0.00 -1.01 0.00 0.00 57.07 55.92 2kts s TYR 110 Cb -0.19 -1.36 0.00 0.00 -0.11 0.00 0.00 41.96 40.30 2kts s TYR 110 CO -0.07 0.54 -0.14 0.21 -1.11 0.00 0.00 175.55 174.97 2kts s LYS 111 N -3.17 1.57 -1.03 -0.62 2.36 -0.71 -0.42 119.74 117.73 2kts s LYS 111 Ca 0.29 -0.50 -0.27 0.00 -2.55 0.00 0.00 55.97 52.94 2kts s LYS 111 Cb -0.09 -1.37 -0.21 0.00 -1.05 0.00 0.00 37.83 35.12 2kts s LYS 111 CO 0.20 0.18 2.17 -1.17 1.55 0.00 0.00 175.35 178.28 2kts s LEU 112 N 0.17 2.46 -0.74 5.43 2.96 -0.85 -2.12 118.68 125.99 2kts s LEU 112 Ca -0.05 -0.78 0.01 0.00 -0.22 0.00 0.00 54.13 53.09 2kts s LEU 112 Cb -0.11 -2.59 0.18 0.00 0.50 0.00 0.00 46.19 44.17 2kts s LEU 112 CO 0.02 -4.59 0.56 0.00 -1.32 0.00 0.00 176.35 171.02 2kts s ALA 113 N 16.58 3.88 -0.58 5.97 0.00 -1.08 -4.93 121.76 141.60 2kts s ALA 113 Ca 0.83 -3.69 -0.01 0.00 0.00 0.00 0.00 51.96 49.10 2kts s ALA 113 Cb -0.07 -2.49 0.44 0.00 0.00 0.00 0.00 23.12 21.01 2kts s ALA 113 CO 0.16 -2.11 2.01 -0.40 0.00 0.00 0.00 175.76 175.42 2kts n ASP 114 N 2.47 6.95 -1.18 0.00 5.75 -1.24 -4.52 116.55 124.78 2kts n ASP 114 Ca 0.17 -3.64 -0.13 0.00 -0.01 0.00 0.00 54.79 51.18 2kts n ASP 114 Cb 0.36 -0.97 -0.06 0.00 -1.03 0.00 0.00 41.12 39.43 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 -0.75 -0.79 0.00 -2.12 4.77 -1.26 -4.86 117.00 111.99 2kts n LEU 115 Ca 0.57 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.87 2kts n LEU 115 Cb 0.78 -2.27 0.02 0.00 -2.33 0.00 0.00 43.42 39.62 2kts n LEU 115 CO 0.70 -0.83 0.13 1.15 -1.33 0.00 0.00 177.39 177.22 2kts n MET 116 N -1.51 0.06 0.00 3.23 0.00 -1.26 -5.26 117.12 112.37 2kts n MET 116 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.57 2kts n MET 116 Cb 0.50 -1.19 0.00 0.00 0.00 0.00 0.00 33.22 32.53 2kts n MET 116 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26