#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 0.60 -4.27 1.12 3.14 -1.26 -5.04 118.33 112.62 2kts n VAL 2 Ca 0.00 -0.24 -0.15 0.00 -2.96 0.00 0.00 64.34 60.99 2kts n VAL 2 Cb 0.00 -0.70 -0.10 0.00 -1.06 0.00 0.00 33.84 31.98 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 -2.26 0.77 0.24 1.55 -4.23 -1.26 -4.91 115.64 105.55 2kts s THR 3 Ca 0.60 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 59.06 2kts s THR 3 Cb -0.25 -2.21 0.18 0.00 1.34 0.00 0.00 72.50 71.56 2kts s THR 3 CO 0.64 -0.41 1.82 1.55 -0.54 0.00 0.00 174.62 177.68 2kts h PRO 4 N 2.62 1.09 -0.40 3.99 0.13 -1.98 -3.28 132.00 134.16 2kts h PRO 4 Ca -0.37 -0.18 -0.03 0.00 -0.87 0.00 0.00 66.00 64.55 2kts h PRO 4 Cb 1.21 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 2kts h PRO 4 CO 0.63 0.87 0.13 1.49 -0.23 0.00 0.00 178.00 180.89 2kts h GLU 5 N 1.07 0.62 -0.23 0.86 4.81 -1.97 -1.65 114.58 118.09 2kts h GLU 5 Ca 0.25 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2kts h GLU 5 Cb 0.18 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2kts h GLU 5 CO -0.02 0.61 0.00 0.00 -0.73 0.00 0.00 179.01 178.87 2kts n GLN 6 N -4.60 0.60 0.01 1.92 10.64 -1.24 -3.38 117.38 121.33 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 0.17 -1.11 0.00 0.00 -0.86 0.00 0.00 30.24 28.44 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 -0.23 0.09 0.07 2.61 4.77 -0.91 -4.75 117.00 118.65 2kts n LEU 7 Ca 0.00 0.04 0.04 0.00 -0.03 0.00 0.00 56.01 56.05 2kts n LEU 7 Cb 0.06 -0.01 0.19 0.00 -2.33 0.00 0.00 43.42 41.33 2kts n LEU 7 CO 0.00 -0.25 0.63 0.00 -1.33 0.00 0.00 177.39 176.45 2kts n GLN 8 N -2.93 0.05 -0.07 3.23 10.64 -0.67 -1.26 117.38 126.37 2kts n GLN 8 Ca 0.00 0.47 0.03 0.00 -1.83 0.00 0.00 57.00 55.67 2kts n GLN 8 Cb 0.29 -1.80 0.04 0.00 -0.86 0.00 0.00 30.24 27.91 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 -1.70 0.00 -3.72 2.61 8.25 -1.26 -3.98 115.22 115.43 2kts n HIS 9 Ca -0.00 -0.50 -0.16 0.00 -0.26 0.00 0.00 57.72 56.80 2kts n HIS 9 Cb 0.16 -0.07 -0.16 0.00 1.12 0.00 0.00 29.99 31.04 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 -1.24 -0.05 0.55 4.41 3.76 -0.39 -5.12 115.29 117.21 2kts s HIS 10 Ca 0.09 0.33 -0.20 0.00 -0.15 0.00 0.00 55.06 55.13 2kts s HIS 10 Cb 0.08 -0.26 -0.06 0.00 1.11 0.00 0.00 32.58 33.45 2kts s HIS 10 CO 0.01 -0.16 1.15 0.50 -0.85 0.00 0.00 174.74 175.39 2kts s ARG 11 N 1.56 3.31 0.27 1.40 3.52 -1.26 -3.78 118.95 123.97 2kts s ARG 11 Ca -0.04 1.68 0.04 0.00 -0.13 0.00 0.00 55.73 57.28 2kts s ARG 11 Cb -0.12 -2.03 -0.06 0.00 -1.56 0.00 0.00 34.95 31.18 2kts s ARG 11 CO -0.04 -0.90 0.01 -0.06 -0.81 0.00 0.00 175.30 173.50 2kts s PHE 12 N -1.71 1.74 0.03 5.12 0.40 0.16 -4.18 117.98 119.54 2kts s PHE 12 Ca 0.73 -0.92 0.02 0.00 -0.60 0.00 0.00 56.93 56.17 2kts s PHE 12 Cb -0.26 -1.05 -0.02 0.00 0.51 0.00 0.00 43.02 42.20 2kts s PHE 12 CO 0.29 0.00 -0.08 0.54 0.70 0.00 0.00 175.22 176.68 2kts s VAL 13 N -3.34 0.56 -0.72 -0.44 0.11 -0.86 -1.61 120.40 114.09 2kts s VAL 13 Ca 0.32 -0.86 -0.26 0.00 -2.93 0.00 0.00 61.98 58.24 2kts s VAL 13 Cb 0.06 -0.58 -0.01 0.00 -1.53 0.00 0.00 36.38 34.33 2kts s VAL 13 CO 0.12 -0.22 1.70 -0.22 -3.33 0.00 0.00 175.10 173.14 2kts s LEU 14 N -1.18 3.25 -0.13 2.54 2.96 -1.16 -1.25 118.68 123.71 2kts s LEU 14 Ca -0.06 -0.17 -0.27 0.00 -0.22 0.00 0.00 54.13 53.41 2kts s LEU 14 Cb -0.08 -2.55 -0.24 0.00 0.50 0.00 0.00 46.19 43.83 2kts s LEU 14 CO 0.00 -2.23 0.75 -0.33 -1.32 0.00 0.00 176.35 173.22 2kts h GLU 15 N 12.72 -0.00 -3.88 1.98 4.39 -1.89 -3.46 114.58 124.44 2kts h GLU 15 Ca -0.17 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.43 2kts h GLU 15 Cb 1.10 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.62 2kts h GLU 15 CO 1.25 0.90 -0.31 -1.54 -1.16 0.00 0.00 179.01 178.15 2kts s SER 16 N -6.14 0.03 0.16 1.42 1.04 -0.90 -4.04 113.70 105.27 2kts s SER 16 Ca -0.18 -0.87 0.03 0.00 0.48 0.00 0.00 55.95 55.42 2kts s SER 16 Cb -0.03 0.44 -0.05 0.00 0.10 0.00 0.00 66.02 66.49 2kts s SER 16 CO 0.65 -0.90 -0.06 -0.69 0.98 0.00 0.00 173.24 173.22 2kts s VAL 17 N -3.97 0.97 0.36 5.02 1.01 -1.25 -1.46 120.40 121.08 2kts s VAL 17 Ca 0.17 -2.02 0.07 0.00 0.00 0.00 0.00 61.98 60.20 2kts s VAL 17 Cb 0.03 -1.96 0.30 0.00 0.00 0.00 0.00 36.38 34.75 2kts s VAL 17 CO 0.00 -0.64 1.93 -1.13 0.00 0.00 0.00 175.10 175.26 2kts h ASN 18 N 2.74 0.65 0.26 3.32 -1.24 -1.56 -3.22 115.58 116.53 2kts h ASN 18 Ca -0.37 0.01 -0.33 0.00 0.71 0.00 0.00 56.30 56.33 2kts h ASN 18 Cb 1.19 -0.12 -0.05 0.00 0.73 0.00 0.00 38.32 40.07 2kts h ASN 18 CO 0.64 0.39 -2.02 0.61 -1.29 0.00 0.00 177.43 175.77 2kts n GLY 19 N -1.45 -0.91 0.00 1.57 0.00 -1.26 -5.00 105.19 98.14 2kts n GLY 19 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2kts n GLY 19 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kts n LYS 20 N -3.01 0.00 -1.21 1.61 2.85 -1.21 -5.18 118.16 112.00 2kts n LYS 20 Ca -0.26 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.70 2kts n LYS 20 Cb 1.08 0.00 0.23 0.00 -0.65 0.00 0.00 35.03 35.69 2kts n LYS 20 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2kts s PRO 21 N -2.00 -0.85 0.23 -1.58 0.04 -1.26 -3.84 135.00 125.74 2kts s PRO 21 Ca 0.00 -0.08 0.04 0.00 0.04 0.00 0.00 61.00 61.00 2kts s PRO 21 Cb 0.00 -1.64 -0.05 0.00 0.04 0.00 0.00 34.50 32.85 2kts s PRO 21 CO 0.00 -3.46 -0.03 0.54 0.04 0.00 0.00 177.00 174.09 2kts s VAL 22 N -3.13 1.21 -0.11 -0.36 0.11 -1.26 -4.90 120.40 111.97 2kts s VAL 22 Ca 0.71 -2.06 -0.05 0.00 -2.93 0.00 0.00 61.98 57.64 2kts s VAL 22 Cb -0.09 -2.31 0.05 0.00 -1.53 0.00 0.00 36.38 32.49 2kts s VAL 22 CO 0.56 -0.37 0.25 0.42 -3.33 0.00 0.00 175.10 172.63 2kts s THR 23 N -3.30 -0.06 -0.43 5.04 -4.23 -1.26 -4.96 115.64 106.44 2kts s THR 23 Ca 0.27 0.15 0.05 0.00 -1.18 0.00 0.00 61.69 60.99 2kts s THR 23 Cb 0.05 -0.39 0.17 0.00 1.34 0.00 0.00 72.50 73.67 2kts s THR 23 CO 0.09 0.06 0.53 -0.44 -0.54 0.00 0.00 174.62 174.31 2kts s SER 24 N 1.32 -0.09 0.29 3.99 0.01 -1.26 -5.01 113.70 112.94 2kts s SER 24 Ca -0.09 -1.80 0.04 0.00 1.31 0.00 0.00 55.95 55.41 2kts s SER 24 Cb -0.10 1.03 0.68 0.00 0.21 0.00 0.00 66.02 67.84 2kts s SER 24 CO -0.09 -0.16 1.77 0.44 0.41 0.00 0.00 173.24 175.62 2kts h ASP 25 N 6.10 0.72 -3.36 2.44 5.19 -2.01 -3.11 116.42 122.39 2kts h ASP 25 Ca 0.10 0.10 -0.66 0.00 -0.62 0.00 0.00 57.03 55.95 2kts h ASP 25 Cb 1.07 -0.03 -0.16 0.00 0.18 0.00 0.00 39.33 40.39 2kts h ASP 25 CO 0.16 0.27 0.20 -1.59 -3.12 0.00 0.00 179.24 175.16 2kts s LYS 26 N -5.89 3.23 -0.68 3.56 0.00 -1.26 -4.68 119.74 114.03 2kts s LYS 26 Ca -0.11 -0.55 -0.10 0.00 0.00 0.00 0.00 55.97 55.20 2kts s LYS 26 Cb 0.24 -4.03 0.01 0.00 0.00 0.00 0.00 37.83 34.05 2kts s LYS 26 CO 0.80 -1.21 0.64 0.09 0.00 0.00 0.00 175.35 175.67 2kts n ASN 27 N 6.52 -6.12 -4.51 0.03 3.02 -1.26 -4.96 115.26 107.99 2kts n ASN 27 Ca -0.03 -0.38 -0.29 0.00 -0.03 0.00 0.00 54.58 53.85 2kts n ASN 27 Cb 0.47 -3.05 0.22 0.00 -0.61 0.00 0.00 39.78 36.81 2kts n ASN 27 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2kts s PRO 28 N -3.64 -0.38 -0.88 3.52 0.04 -1.17 -4.86 135.00 127.63 2kts s PRO 28 Ca 0.11 0.54 -0.11 0.00 0.04 0.00 0.00 61.00 61.58 2kts s PRO 28 Cb -0.02 -1.64 -0.08 0.00 0.04 0.00 0.00 34.50 32.80 2kts s PRO 28 CO 0.84 -3.28 2.05 -0.35 0.04 0.00 0.00 177.00 176.30 2kts n PRO 29 N -4.56 1.91 -2.01 0.56 -0.04 -1.26 -4.83 135.00 124.76 2kts n PRO 29 Ca 0.05 -1.62 -0.29 0.00 -0.04 0.00 0.00 63.50 61.61 2kts n PRO 29 Cb 0.57 -2.63 0.06 0.00 -0.04 0.00 0.00 33.50 31.45 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 3.94 2.58 -0.00 0.54 -1.05 -1.26 -2.99 118.70 120.46 2kts s GLU 30 Ca 0.46 0.22 0.00 0.00 -0.15 0.00 0.00 54.97 55.50 2kts s GLU 30 Cb 0.12 -2.06 0.00 0.00 -0.44 0.00 0.00 34.13 31.75 2kts s GLU 30 CO 0.02 -1.14 -0.00 -1.50 0.95 0.00 0.00 175.26 173.59 2kts s ILE 31 N -3.34 0.03 -0.15 1.83 2.07 -0.63 -2.82 121.20 118.19 2kts s ILE 31 Ca 0.59 0.01 0.01 0.00 -1.41 0.00 0.00 60.65 59.85 2kts s ILE 31 Cb -0.11 -0.06 0.02 0.00 0.13 0.00 0.00 42.46 42.44 2kts s ILE 31 CO 0.49 0.03 -0.15 -0.94 -1.91 0.00 0.00 174.94 172.46 2kts s SER 32 N 0.18 2.71 0.07 4.50 1.04 0.55 -0.67 113.70 122.08 2kts s SER 32 Ca -0.01 -0.50 -0.22 0.00 0.48 0.00 0.00 55.95 55.69 2kts s SER 32 Cb -0.02 -1.20 -0.06 0.00 0.10 0.00 0.00 66.02 64.83 2kts s SER 32 CO -0.01 -0.04 0.67 -0.36 0.98 0.00 0.00 173.24 174.49 2kts s PHE 33 N 1.37 3.79 0.19 5.02 0.40 -1.25 -0.73 117.98 126.78 2kts s PHE 33 Ca 0.03 1.39 -0.19 0.00 -0.60 0.00 0.00 56.93 57.56 2kts s PHE 33 Cb -0.13 -2.66 0.04 0.00 0.51 0.00 0.00 43.02 40.77 2kts s PHE 33 CO -0.09 0.44 0.55 0.20 0.70 0.00 0.00 175.22 177.02 2kts s GLY 34 N -0.66 -0.22 0.00 4.36 0.00 -0.38 -4.05 107.32 106.38 2kts s GLY 34 Ca 0.33 -0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.99 2kts s GLY 34 CO 0.21 -0.15 0.00 -2.21 0.00 0.00 0.00 173.10 170.95 2kts n GLU 35 N -0.36 0.00 -0.70 2.90 2.13 -1.26 -1.13 120.64 122.23 2kts n GLU 35 Ca -0.11 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.32 2kts n GLU 35 Cb 0.63 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 32.22 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 -0.32 0.01 -1.28 5.31 5.02 -1.26 -3.84 118.16 121.80 2kts n LYS 36 Ca 0.00 -1.08 -0.11 0.00 -2.02 0.00 0.00 58.31 55.10 2kts n LYS 36 Cb 0.00 -2.69 -0.05 0.00 -0.02 0.00 0.00 35.03 32.27 2kts n LYS 36 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kts n MET 37 N 7.88 -1.29 -1.04 1.97 0.00 -1.26 -4.58 117.12 118.79 2kts n MET 37 Ca 0.44 0.64 -0.30 0.00 0.00 0.00 0.00 57.70 58.49 2kts n MET 37 Cb 0.42 -4.81 0.16 0.00 0.00 0.00 0.00 33.22 29.00 2kts n MET 37 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 175.97 177.38 2kts s MET 38 N -2.83 0.83 -0.05 3.17 1.75 -0.29 -2.92 119.30 118.96 2kts s MET 38 Ca 0.00 0.89 0.00 0.00 -1.25 0.00 0.00 55.69 55.33 2kts s MET 38 Cb 0.00 -1.75 0.02 0.00 2.84 0.00 0.00 34.83 35.94 2kts s MET 38 CO 0.00 -2.55 -0.02 0.42 -0.65 0.00 0.00 175.02 172.21 2kts s ILE 39 N -2.83 0.44 0.09 10.11 1.01 -0.88 -1.25 121.20 127.90 2kts s ILE 39 Ca 0.65 -0.02 0.06 0.00 0.00 0.00 0.00 60.65 61.33 2kts s ILE 39 Cb -0.20 -0.52 -0.03 0.00 0.01 0.00 0.00 42.46 41.72 2kts s ILE 39 CO 0.58 0.23 -0.15 -0.44 0.00 0.00 0.00 174.94 175.16 2kts s SER 40 N 1.27 1.83 0.00 3.58 0.01 0.09 -1.95 113.70 118.54 2kts s SER 40 Ca -0.06 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.52 2kts s SER 40 Cb -0.14 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.04 2kts s SER 40 CO -0.02 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.15 2kts n GLY 41 N 1.01 -0.16 2.60 3.44 0.00 -0.58 -0.33 105.19 111.17 2kts n GLY 41 Ca -0.19 -0.92 -0.18 0.00 0.00 0.00 0.00 46.02 44.72 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 0.69 0.16 1.61 1.04 -1.13 -1.21 113.70 114.86 2kts s SER 42 Ca 0.00 -2.25 -0.25 0.00 0.48 0.00 0.00 55.95 53.93 2kts s SER 42 Cb 0.00 0.45 0.02 0.00 0.10 0.00 0.00 66.02 66.59 2kts s SER 42 CO 0.00 -0.17 1.59 0.24 0.98 0.00 0.00 173.24 175.87 2kts h MET 43 N 5.98 -0.29 0.00 4.02 2.86 -1.85 -3.37 114.93 122.28 2kts h MET 43 Ca 0.14 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 2kts h MET 43 Cb 1.01 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.73 2kts h MET 43 CO 0.22 -0.20 0.00 0.00 1.06 0.00 0.00 176.91 178.00 2kts n ASN 45 N -0.31 2.18 -0.91 0.00 5.03 -1.26 -4.72 115.26 115.26 2kts n ASN 45 Ca 0.00 -3.03 0.08 0.00 0.87 0.00 0.00 54.58 52.50 2kts n ASN 45 Cb 0.00 -0.42 -0.03 0.00 -1.02 0.00 0.00 39.78 38.31 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 -1.33 -1.37 -3.57 3.52 1.74 -1.26 -1.23 116.66 113.16 2kts n ARG 46 Ca 0.15 1.06 -0.14 0.00 -0.77 0.00 0.00 57.85 58.15 2kts n ARG 46 Cb 0.65 -1.92 -0.06 0.00 -1.02 0.00 0.00 32.46 30.11 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 -3.63 -0.54 -0.02 -1.55 -0.71 -0.35 -4.24 117.98 106.94 2kts s PHE 47 Ca 0.00 1.01 -0.30 0.00 -1.04 0.00 0.00 56.93 56.60 2kts s PHE 47 Cb 0.00 0.41 0.07 0.00 -1.21 0.00 0.00 43.02 42.29 2kts s PHE 47 CO 0.00 -0.44 0.69 -1.54 -1.34 0.00 0.00 175.22 172.59 2kts s SER 48 N -0.85 -0.62 -0.08 1.98 1.04 -1.21 -1.53 113.70 112.43 2kts s SER 48 Ca -0.05 0.57 -0.32 0.00 0.48 0.00 0.00 55.95 56.64 2kts s SER 48 Cb -0.01 0.53 0.12 0.00 0.10 0.00 0.00 66.02 66.76 2kts s SER 48 CO 0.04 -0.65 1.12 -0.83 0.98 0.00 0.00 173.24 173.90 2kts s GLY 49 N -1.46 -0.35 -0.13 7.32 0.00 -0.82 -0.45 107.32 111.43 2kts s GLY 49 Ca -0.08 1.13 -0.29 0.00 0.00 0.00 0.00 44.72 45.47 2kts s GLY 49 CO 0.05 0.35 1.87 -0.54 0.00 0.00 0.00 173.10 174.84 2kts s GLU 50 N -2.67 3.77 0.94 2.90 2.02 -1.26 -2.08 118.70 122.31 2kts s GLU 50 Ca 0.10 2.08 -0.10 0.00 0.02 0.00 0.00 54.97 57.06 2kts s GLU 50 Cb 0.00 -4.15 0.16 0.00 0.10 0.00 0.00 34.13 30.24 2kts s GLU 50 CO -0.05 -1.36 1.13 0.20 0.02 0.00 0.00 175.26 175.20 2kts s GLY 51 N 5.23 1.67 -0.02 -1.39 0.00 -1.15 -4.61 107.32 107.04 2kts s GLY 51 Ca 0.84 0.46 0.02 0.00 0.00 0.00 0.00 44.72 46.04 2kts s GLY 51 CO 0.34 0.91 -0.07 1.25 0.00 0.00 0.00 173.10 175.53 2kts s LYS 52 N -4.65 0.82 -0.36 2.90 2.20 -1.23 -4.84 119.74 114.58 2kts s LYS 52 Ca 0.66 -0.24 0.07 0.00 -0.36 0.00 0.00 55.97 56.10 2kts s LYS 52 Cb -0.23 -0.79 0.19 0.00 -1.51 0.00 0.00 37.83 35.50 2kts s LYS 52 CO 0.59 0.08 0.63 -1.17 -0.36 0.00 0.00 175.35 175.11 2kts s LEU 53 N 0.26 -1.54 0.00 5.43 2.96 -1.26 -3.78 118.68 120.75 2kts s LEU 53 Ca -0.04 -0.41 0.00 0.00 -0.22 0.00 0.00 54.13 53.47 2kts s LEU 53 Cb -0.08 1.96 0.00 0.00 0.50 0.00 0.00 46.19 48.56 2kts s LEU 53 CO 0.00 -0.21 0.00 -0.24 -1.32 0.00 0.00 176.35 174.58 2kts n SER 54 N 4.78 0.20 -0.86 3.68 2.88 -1.26 -4.71 113.62 118.33 2kts n SER 54 Ca 0.09 -0.06 0.03 0.00 -1.33 0.00 0.00 58.87 57.59 2kts n SER 54 Cb 0.56 0.16 0.04 0.00 -0.75 0.00 0.00 64.21 64.22 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 -0.18 0.74 0.00 -3.46 5.15 -1.26 -4.98 115.26 111.26 2kts n ASN 55 Ca 0.00 -2.25 0.00 0.00 -0.60 0.00 0.00 54.58 51.73 2kts n ASN 55 Cb 0.00 -0.29 0.00 0.00 -0.53 0.00 0.00 39.78 38.96 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 -0.03 1.17 3.21 8.20 0.00 -1.26 -4.96 105.19 111.52 2kts n GLY 56 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.20 2.41 -0.87 1.61 2.12 -1.26 -1.54 118.70 120.97 2kts s GLU 57 Ca 0.00 -1.48 -0.25 0.00 0.36 0.00 0.00 54.97 53.60 2kts s GLU 57 Cb 0.00 -3.56 0.01 0.00 0.26 0.00 0.00 34.13 30.84 2kts s GLU 57 CO 0.00 -0.88 1.59 -1.17 -0.54 0.00 0.00 175.26 174.26 2kts s LEU 58 N 1.31 3.31 -0.18 2.70 2.96 0.57 -4.38 118.68 124.97 2kts s LEU 58 Ca 0.02 -0.76 -0.05 0.00 -0.22 0.00 0.00 54.13 53.12 2kts s LEU 58 Cb -0.22 -2.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.89 2kts s LEU 58 CO -0.00 -2.02 -0.01 0.42 -1.32 0.00 0.00 176.35 173.43 2kts s THR 59 N 7.01 4.05 -0.45 3.68 -4.23 -1.26 -2.05 115.64 122.40 2kts s THR 59 Ca 0.52 -0.29 0.02 0.00 -1.18 0.00 0.00 61.69 60.77 2kts s THR 59 Cb -0.05 -2.81 0.15 0.00 1.34 0.00 0.00 72.50 71.12 2kts s THR 59 CO 0.03 0.46 0.28 0.00 -0.54 0.00 0.00 174.62 174.84 2kts s ALA 60 N 0.63 2.00 0.10 3.99 0.00 0.40 -3.47 121.76 125.41 2kts s ALA 60 Ca -0.01 -2.58 -0.25 0.00 0.00 0.00 0.00 51.96 49.12 2kts s ALA 60 Cb -0.14 -1.82 -0.08 0.00 0.00 0.00 0.00 23.12 21.08 2kts s ALA 60 CO 0.02 -2.06 1.42 -0.22 0.00 0.00 0.00 175.76 174.92 2kts h LYS 61 N 6.47 -0.25 -2.02 0.00 3.64 -1.86 -2.88 116.57 119.67 2kts h LYS 61 Ca 0.06 0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.36 2kts h LYS 61 Cb 0.91 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.75 2kts h LYS 61 CO 0.45 -0.16 -0.20 0.41 -2.27 0.00 0.00 179.45 177.68 2kts n GLY 62 N -1.27 2.72 3.77 5.01 0.00 -1.26 -4.91 105.19 109.25 2kts n GLY 62 Ca -0.02 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 44.95 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 4.18 -0.41 0.99 2.96 -1.09 -4.34 118.68 120.97 2kts s LEU 63 Ca 0.36 2.77 0.02 0.00 -0.22 0.00 0.00 54.13 57.06 2kts s LEU 63 Cb 0.17 -3.91 0.12 0.00 0.50 0.00 0.00 46.19 43.08 2kts s LEU 63 CO 0.00 -0.98 0.19 0.00 -1.32 0.00 0.00 176.35 174.24 2kts s ALA 64 N -1.23 2.13 0.21 5.97 0.00 0.40 -4.95 121.76 124.30 2kts s ALA 64 Ca 0.58 -2.41 0.10 0.00 0.00 0.00 0.00 51.96 50.23 2kts s ALA 64 Cb -0.41 -1.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.82 2kts s ALA 64 CO 0.52 -1.94 -0.11 -1.64 0.00 0.00 0.00 175.76 172.59 2kts s MET 65 N 0.66 1.98 0.17 0.00 -1.94 -1.26 -3.35 119.30 115.56 2kts s MET 65 Ca 0.15 -1.40 -0.01 0.00 -1.71 0.00 0.00 55.69 52.72 2kts s MET 65 Cb -0.22 -2.06 0.04 0.00 2.01 0.00 0.00 34.83 34.59 2kts s MET 65 CO -0.06 0.40 0.23 0.25 -0.01 0.00 0.00 175.02 175.83 2kts n THR 66 N -0.22 0.00 -0.97 2.05 -2.24 -0.36 -5.05 114.28 107.49 2kts n THR 66 Ca -0.09 -0.30 0.02 0.00 -2.27 0.00 0.00 64.05 61.41 2kts n THR 66 Cb 0.57 -1.46 0.03 0.00 -2.10 0.00 0.00 70.33 67.37 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 -1.45 1.08 -0.63 -0.78 1.74 -1.26 -4.96 116.66 110.40 2kts n ARG 67 Ca 0.04 -1.31 -0.29 0.00 -0.77 0.00 0.00 57.85 55.51 2kts n ARG 67 Cb 0.12 -0.84 0.22 0.00 -1.02 0.00 0.00 32.46 30.94 2kts n ARG 67 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2kts s MET 68 N -0.87 -0.28 -0.22 5.56 -1.94 -1.26 -4.89 119.30 115.40 2kts s MET 68 Ca 0.07 1.03 -0.30 0.00 -1.71 0.00 0.00 55.69 54.78 2kts s MET 68 Cb 0.06 -1.61 -0.07 0.00 2.01 0.00 0.00 34.83 35.22 2kts s MET 68 CO 0.01 -3.35 2.19 -1.33 -0.01 0.00 0.00 175.02 172.53 2kts n MET 69 N -4.68 1.86 0.13 2.03 2.81 -1.26 -4.85 117.12 113.17 2kts n MET 69 Ca 0.06 0.53 0.10 0.00 -1.81 0.00 0.00 57.70 56.57 2kts n MET 69 Cb 0.54 -3.05 0.50 0.00 -0.71 0.00 0.00 33.22 30.49 2kts n MET 69 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kts n ALA 71 N -1.74 0.00 -3.00 0.00 0.00 -1.26 -4.67 120.51 109.84 2kts n ALA 71 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2kts n ALA 71 Cb 0.07 -1.14 -0.12 0.00 0.00 0.00 0.00 19.45 18.26 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 -2.03 -0.03 0.09 0.00 2.47 -1.26 -5.08 114.94 109.10 2kts s ASN 72 Ca 0.00 0.02 -0.19 0.00 0.42 0.00 0.00 52.86 53.10 2kts s ASN 72 Cb 0.00 0.19 -0.08 0.00 -1.45 0.00 0.00 41.25 39.91 2kts s ASN 72 CO 0.00 -0.14 1.61 1.55 -3.72 0.00 0.00 177.10 176.40 2kts h PRO 73 N 5.46 0.35 -0.88 0.43 0.13 -1.99 -0.99 132.00 134.51 2kts h PRO 73 Ca -0.27 -0.07 0.01 0.00 -0.87 0.00 0.00 66.00 64.80 2kts h PRO 73 Cb 1.20 -0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.24 2kts h PRO 73 CO 0.43 0.43 0.58 0.37 -0.23 0.00 0.00 178.00 179.58 2kts h GLN 74 N 0.20 1.14 -0.19 0.86 4.15 -1.98 -1.42 115.11 117.88 2kts h GLN 74 Ca 0.07 -0.07 -0.16 0.00 0.77 0.00 0.00 58.65 59.26 2kts h GLN 74 Cb 0.22 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 27.66 2kts h GLN 74 CO -0.00 0.75 -0.52 -0.07 -1.93 0.00 0.00 178.83 177.06 2kts h LEU 75 N 1.17 0.78 -1.00 -2.39 3.38 -1.73 -3.18 115.31 112.35 2kts h LEU 75 Ca 0.33 -0.58 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 2kts h LEU 75 Cb -0.11 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.38 2kts h LEU 75 CO -0.08 1.23 0.23 -1.13 0.09 0.00 0.00 178.44 178.78 2kts h ASN 76 N 0.38 0.87 0.04 -0.43 -0.73 -0.81 -1.84 115.58 113.06 2kts h ASN 76 Ca -0.01 -0.13 -0.00 0.00 1.87 0.00 0.00 56.30 58.02 2kts h ASN 76 Cb 1.14 -0.23 -0.00 0.00 0.27 0.00 0.00 38.32 39.50 2kts h ASN 76 CO 0.11 0.80 -0.01 -0.33 -0.37 0.00 0.00 177.43 177.63 2kts h GLU 77 N 0.93 0.00 0.00 6.67 5.08 -1.25 -2.48 114.58 123.52 2kts h GLU 77 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2kts h GLU 77 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2kts h GLU 77 CO -0.01 0.01 -0.72 -0.07 -1.00 0.00 0.00 179.01 177.22 2kts h LEU 78 N 0.00 0.00 -0.83 1.33 3.38 -1.32 -3.33 115.31 114.54 2kts h LEU 78 Ca -0.00 -0.21 0.08 0.00 0.09 0.00 0.00 57.88 57.84 2kts h LEU 78 Cb 0.04 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.72 2kts h LEU 78 CO 0.00 0.11 0.49 -0.78 0.09 0.00 0.00 178.44 178.35 2kts h ASP 79 N 0.00 0.72 0.08 -0.43 3.58 -1.37 -0.59 116.42 118.41 2kts h ASP 79 Ca 0.00 0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.48 2kts h ASP 79 Cb 0.77 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.71 2kts h ASP 79 CO 0.00 0.43 -0.04 0.78 -2.88 0.00 0.00 179.24 177.53 2kts h ASN 80 N 0.84 -0.09 -0.61 2.28 2.35 -1.73 -3.25 115.58 115.37 2kts h ASN 80 Ca 0.38 -0.38 0.10 0.00 -0.55 0.00 0.00 56.30 55.85 2kts h ASN 80 Cb 0.29 0.02 -0.11 0.00 0.05 0.00 0.00 38.32 38.57 2kts h ASN 80 CO -0.22 0.56 -0.37 0.74 -1.65 0.00 0.00 177.43 176.49 2kts h THR 81 N -0.96 0.13 -0.65 2.81 2.02 -1.63 -0.85 112.91 113.78 2kts h THR 81 Ca -0.01 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.10 2kts h THR 81 Cb 0.47 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 2kts h THR 81 CO 0.02 0.00 0.13 -0.29 0.37 0.00 0.00 175.52 175.75 2kts h ILE 82 N -0.18 1.26 -0.61 3.11 6.09 -1.26 -1.03 117.51 124.90 2kts h ILE 82 Ca 0.22 -0.99 -0.07 0.00 -1.37 0.00 0.00 64.86 62.65 2kts h ILE 82 Cb 0.56 0.65 -0.03 0.00 0.47 0.00 0.00 36.82 38.48 2kts h ILE 82 CO -0.70 0.37 0.09 -1.28 -3.07 0.00 0.00 178.15 173.56 2kts h SER 83 N 0.97 0.94 0.41 2.19 0.87 -1.25 -2.54 113.55 115.14 2kts h SER 83 Ca 0.20 -0.21 -0.19 0.00 -1.23 0.00 0.00 61.79 60.35 2kts h SER 83 Cb 0.40 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 2kts h SER 83 CO 0.01 0.94 -0.81 -0.33 -0.53 0.00 0.00 176.83 176.11 2kts h GLU 84 N 0.93 0.31 0.33 2.24 5.08 -0.95 -2.91 114.58 119.60 2kts h GLU 84 Ca 0.19 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2kts h GLU 84 Cb 0.41 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2kts h GLU 84 CO 0.01 0.97 -0.16 0.52 -1.00 0.00 0.00 179.01 179.35 2kts h MET 85 N 0.19 -0.43 0.00 2.33 2.86 -0.98 -3.21 114.93 115.70 2kts h MET 85 Ca -0.04 0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 2kts h MET 85 Cb 1.41 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 33.17 2kts h MET 85 CO 0.13 -0.10 -0.03 -0.07 1.06 0.00 0.00 176.91 177.90 2kts h LEU 86 N -0.81 0.00 -0.28 1.22 -0.00 -1.54 -2.53 115.31 111.36 2kts h LEU 86 Ca -0.05 0.00 -0.18 0.00 -0.00 0.00 0.00 57.88 57.66 2kts h LEU 86 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.18 2kts h LEU 86 CO 0.07 0.03 -0.51 0.50 -0.00 0.00 0.00 178.44 178.53 2kts h LYS 87 N 0.00 0.85 0.16 1.13 1.63 -1.51 0.11 116.57 118.94 2kts h LYS 87 Ca -0.00 -0.53 -0.33 0.00 -0.85 0.00 0.00 60.65 58.94 2kts h LYS 87 Cb 0.35 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.04 2kts h LYS 87 CO 0.00 1.17 -1.63 1.05 -3.45 0.00 0.00 179.45 176.59 2kts h GLU 88 N 0.63 0.34 0.00 1.90 4.11 -1.52 -3.44 114.58 116.60 2kts h GLU 88 Ca 0.02 -0.58 0.00 0.00 0.07 0.00 0.00 59.36 58.87 2kts h GLU 88 Cb 1.12 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2kts h GLU 88 CO 0.12 1.23 0.00 0.41 0.07 0.00 0.00 179.01 180.84 2kts n GLY 89 N 1.76 1.22 3.77 1.06 0.00 -1.01 -4.90 105.19 107.09 2kts n GLY 89 Ca -0.20 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 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 0.38 4.61 0.00 -0.87 -4.71 121.76 124.67 2kts s ALA 90 Ca 0.00 1.24 -0.27 0.00 0.00 0.00 0.00 51.96 52.93 2kts s ALA 90 Cb 0.00 -3.48 -0.09 0.00 0.00 0.00 0.00 23.12 19.55 2kts s ALA 90 CO 0.00 -0.62 1.27 -0.65 0.00 0.00 0.00 175.76 175.76 2kts s GLN 91 N -1.61 4.14 -0.13 0.00 1.11 0.52 -0.32 119.66 123.37 2kts s GLN 91 Ca 0.50 2.10 -0.01 0.00 0.01 0.00 0.00 55.36 57.96 2kts s GLN 91 Cb -0.39 -2.86 0.03 0.00 -1.01 0.00 0.00 33.01 28.78 2kts s GLN 91 CO 0.51 -0.33 -0.06 0.08 0.01 0.00 0.00 175.29 175.50 2kts s VAL 92 N -1.25 0.99 -0.52 1.09 1.01 -0.59 -1.78 120.40 119.35 2kts s VAL 92 Ca 0.54 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 62.15 2kts s VAL 92 Cb -0.37 -1.10 0.15 0.00 0.00 0.00 0.00 36.38 35.06 2kts s VAL 92 CO 0.48 0.24 0.34 -1.81 0.00 0.00 0.00 175.10 174.36 2kts s ASP 93 N 1.71 3.61 -0.48 3.32 1.01 -0.09 -4.67 116.67 121.08 2kts s ASP 93 Ca 0.03 -3.14 -0.25 0.00 0.71 0.00 0.00 52.55 49.90 2kts s ASP 93 Cb -0.14 -1.15 0.03 0.00 1.01 0.00 0.00 42.92 42.67 2kts s ASP 93 CO -0.08 -0.19 0.93 -0.22 0.21 0.00 0.00 175.17 175.83 2kts s LEU 94 N -0.33 4.01 1.04 1.23 2.96 -1.26 -0.64 118.68 125.68 2kts s LEU 94 Ca 0.23 0.03 -0.17 0.00 -0.22 0.00 0.00 54.13 54.00 2kts s LEU 94 Cb -0.12 -3.13 0.24 0.00 0.50 0.00 0.00 46.19 43.68 2kts s LEU 94 CO -0.09 -1.09 1.30 -0.89 -1.32 0.00 0.00 176.35 174.25 2kts s THR 95 N 3.82 1.90 0.32 3.68 2.01 0.02 -4.53 115.64 122.86 2kts s THR 95 Ca 0.36 0.00 0.10 0.00 0.31 0.00 0.00 61.69 62.46 2kts s THR 95 Cb -0.10 -2.89 0.33 0.00 0.01 0.00 0.00 72.50 69.85 2kts s THR 95 CO 0.25 0.00 1.65 0.00 -0.69 0.00 0.00 174.62 175.83 2kts h ALA 96 N -1.95 1.69 -0.03 7.40 0.00 -2.04 -2.81 119.26 121.52 2kts h ALA 96 Ca -0.44 0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 2kts h ALA 96 Cb 1.23 0.25 -0.25 0.00 0.00 0.00 0.00 17.79 19.02 2kts h ALA 96 CO 0.33 -0.56 -0.63 0.27 0.00 0.00 0.00 179.25 178.66 2kts n ASN 97 N -5.15 -0.10 -3.69 0.00 0.23 -1.26 -5.11 115.26 100.19 2kts n ASN 97 Ca 0.28 -2.02 -0.12 0.00 -0.53 0.00 0.00 54.58 52.19 2kts n ASN 97 Cb 0.88 0.05 -0.13 0.00 -2.08 0.00 0.00 39.78 38.51 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 -0.26 0.22 -0.11 -3.83 0.74 -1.06 -2.58 119.66 112.79 2kts s GLN 98 Ca 0.16 0.69 -0.20 0.00 0.05 0.00 0.00 55.36 56.06 2kts s GLN 98 Cb 0.21 -0.04 -0.04 0.00 1.10 0.00 0.00 33.01 34.24 2kts s GLN 98 CO -0.08 -0.21 0.55 -1.17 -0.55 0.00 0.00 175.29 173.82 2kts s LEU 99 N 1.81 4.28 -0.19 3.68 2.96 0.07 -0.80 118.68 130.49 2kts s LEU 99 Ca -0.05 0.92 -0.07 0.00 -0.22 0.00 0.00 54.13 54.71 2kts s LEU 99 Cb -0.11 -2.81 -0.04 0.00 0.50 0.00 0.00 46.19 43.73 2kts s LEU 99 CO -0.09 -0.05 0.05 -0.89 -1.32 0.00 0.00 176.35 174.05 2kts s THR 100 N 0.74 4.63 -0.05 3.68 2.01 0.19 -0.58 115.64 126.26 2kts s THR 100 Ca 0.29 -0.09 -0.08 0.00 0.31 0.00 0.00 61.69 62.13 2kts s THR 100 Cb -0.16 -3.09 -0.05 0.00 0.01 0.00 0.00 72.50 69.21 2kts s THR 100 CO 0.13 0.45 0.23 -0.76 -0.69 0.00 0.00 174.62 173.97 2kts s LEU 101 N 0.53 4.40 -0.00 4.42 2.01 -0.33 -0.91 118.68 128.79 2kts s LEU 101 Ca 0.02 0.57 -0.06 0.00 0.01 0.00 0.00 54.13 54.68 2kts s LEU 101 Cb -0.13 -2.39 -0.00 0.00 0.01 0.00 0.00 46.19 43.68 2kts s LEU 101 CO 0.01 0.34 0.11 0.00 1.01 0.00 0.00 176.35 177.82 2kts s ALA 102 N -1.15 -0.25 0.27 4.21 0.00 -0.73 -0.69 121.76 123.41 2kts s ALA 102 Ca 0.21 -0.12 -0.21 0.00 0.00 0.00 0.00 51.96 51.85 2kts s ALA 102 Cb -0.13 0.06 0.05 0.00 0.00 0.00 0.00 23.12 23.09 2kts s ALA 102 CO 0.10 -0.17 0.83 0.99 0.00 0.00 0.00 175.76 177.51 2kts s THR 103 N -1.13 0.00 0.38 0.00 2.01 -0.39 -0.35 115.64 116.15 2kts s THR 103 Ca -0.12 -0.87 0.15 0.00 0.31 0.00 0.00 61.69 61.15 2kts s THR 103 Cb -0.07 -2.34 0.36 0.00 0.01 0.00 0.00 72.50 70.46 2kts s THR 103 CO 0.01 0.00 1.82 0.00 -0.69 0.00 0.00 174.62 175.75 2kts h ALA 104 N 2.00 2.06 -1.38 7.40 0.00 -1.95 -2.88 119.26 124.51 2kts h ALA 104 Ca -0.25 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2kts h ALA 104 Cb 1.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2kts h ALA 104 CO 0.30 -0.40 0.00 1.63 0.00 0.00 0.00 179.25 180.78 2kts n LYS 105 N -4.60 0.00 -1.90 0.00 4.76 -1.26 -5.04 118.16 110.13 2kts n LYS 105 Ca 0.22 0.27 -0.03 0.00 -2.87 0.00 0.00 58.31 55.90 2kts n LYS 105 Cb 0.70 -1.19 -0.00 0.00 -1.84 0.00 0.00 35.03 32.70 2kts n LYS 105 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2kts n GLN 106 N -1.31 0.18 -4.65 1.97 10.64 -1.09 -5.15 117.38 117.97 2kts n GLN 106 Ca 0.00 -0.54 -0.24 0.00 -1.83 0.00 0.00 57.00 54.39 2kts n GLN 106 Cb 0.00 0.57 -0.16 0.00 -0.86 0.00 0.00 30.24 29.79 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 -2.62 1.16 0.11 -0.39 -1.32 -1.26 -1.27 115.64 110.05 2kts s THR 107 Ca 0.05 -0.57 0.09 0.00 -1.21 0.00 0.00 61.69 60.05 2kts s THR 107 Cb -0.01 -1.01 -0.04 0.00 -1.51 0.00 0.00 72.50 69.94 2kts s THR 107 CO 0.04 0.34 -0.22 -0.76 -2.21 0.00 0.00 174.62 171.81 2kts s LEU 108 N 0.07 2.30 -0.29 9.08 1.02 0.13 -1.20 118.68 129.79 2kts s LEU 108 Ca -0.03 -0.70 -0.01 0.00 0.02 0.00 0.00 54.13 53.41 2kts s LEU 108 Cb -0.10 -0.97 0.09 0.00 0.02 0.00 0.00 46.19 45.23 2kts s LEU 108 CO 0.01 0.09 0.08 -0.89 0.02 0.00 0.00 176.35 175.66 2kts s THR 109 N -1.12 0.85 -0.02 5.49 2.01 -0.54 -1.18 115.64 121.12 2kts s THR 109 Ca 0.08 -1.25 -0.02 0.00 0.31 0.00 0.00 61.69 60.82 2kts s THR 109 Cb -0.10 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 2kts s THR 109 CO 0.05 -0.57 0.10 -0.31 -0.69 0.00 0.00 174.62 173.20 2kts s TYR 110 N 1.65 3.36 -0.05 4.92 1.51 0.26 -2.13 117.35 126.87 2kts s TYR 110 Ca 0.07 0.27 -0.06 0.00 -1.01 0.00 0.00 57.07 56.33 2kts s TYR 110 Cb -0.17 -1.78 -0.04 0.00 -0.11 0.00 0.00 41.96 39.85 2kts s TYR 110 CO -0.22 0.58 0.21 0.21 -1.11 0.00 0.00 175.55 175.22 2kts s LYS 111 N -1.64 3.51 -0.80 -0.62 2.36 -0.38 -0.75 119.74 121.42 2kts s LYS 111 Ca 0.22 -0.12 -0.06 0.00 -2.55 0.00 0.00 55.97 53.46 2kts s LYS 111 Cb -0.12 -3.14 -0.10 0.00 -1.05 0.00 0.00 37.83 33.42 2kts s LYS 111 CO 0.13 0.71 2.49 -0.11 1.55 0.00 0.00 175.35 180.13 2kts n LEU 112 N 1.50 5.44 -3.65 5.43 7.94 -1.06 -2.02 117.00 130.57 2kts n LEU 112 Ca -0.15 -3.08 -0.41 0.00 -1.11 0.00 0.00 56.01 51.26 2kts n LEU 112 Cb 0.54 -1.17 0.00 0.00 0.53 0.00 0.00 43.42 43.32 2kts n LEU 112 CO 0.37 1.09 2.04 0.00 -1.11 0.00 0.00 177.39 179.78 2kts n ALA 113 N 3.58 6.18 0.32 1.96 0.00 -1.26 -4.80 120.51 126.48 2kts n ALA 113 Ca 0.48 -4.28 0.05 0.00 0.00 0.00 0.00 53.44 49.68 2kts n ALA 113 Cb 0.31 -2.71 0.19 0.00 0.00 0.00 0.00 19.45 17.24 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 2.02 2.90 -0.04 0.00 5.75 -1.26 -4.80 116.55 121.13 2kts n ASP 114 Ca 0.51 -2.30 -0.01 0.00 -0.01 0.00 0.00 54.79 52.99 2kts n ASP 114 Cb 0.29 -0.47 -0.00 0.00 -1.03 0.00 0.00 41.12 39.91 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 0.43 0.16 -0.38 -2.12 4.77 -1.26 -4.73 117.00 113.86 2kts n LEU 115 Ca 0.14 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2kts n LEU 115 Cb 0.58 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 2kts n LEU 115 CO 0.14 -0.22 -0.12 0.80 -1.33 0.00 0.00 177.39 176.66 2kts n MET 116 N -2.21 -1.00 0.00 3.23 0.00 -1.26 -5.26 117.12 110.62 2kts n MET 116 Ca -0.01 0.77 0.00 0.00 -0.00 0.00 0.00 57.70 58.47 2kts n MET 116 Cb 0.11 -0.95 0.00 0.00 0.00 0.00 0.00 33.22 32.38 2kts n MET 116 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26