#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a9m s VAL 2 N 0.00 4.90 0.19 -0.39 -7.23 -1.26 -4.13 120.40 112.49 2a9m s VAL 2 Ca 0.00 1.53 -0.13 0.00 -1.81 0.00 0.00 61.98 61.57 2a9m s VAL 2 Cb 0.00 -4.09 0.01 0.00 0.56 0.00 0.00 36.38 32.85 2a9m s VAL 2 CO 0.00 0.03 0.42 0.00 -0.31 0.00 0.00 175.10 175.23 2a9m s GLN 3 N 2.23 1.32 -0.12 4.82 -2.07 -0.85 -5.01 119.66 119.99 2a9m s GLN 3 Ca 0.36 -1.06 0.03 0.00 -1.82 0.00 0.00 55.36 52.86 2a9m s GLN 3 Cb -0.16 0.45 0.00 0.00 -1.09 0.00 0.00 33.01 32.21 2a9m s GLN 3 CO 0.11 -0.53 -0.22 -0.51 -1.32 0.00 0.00 175.29 172.82 2a9m s LEU 4 N -2.94 2.17 -0.13 2.60 1.43 -1.26 -1.84 118.68 118.71 2a9m s LEU 4 Ca 0.15 -0.55 0.03 0.00 -1.03 0.00 0.00 54.13 52.72 2a9m s LEU 4 Cb 0.01 -1.44 0.01 0.00 0.03 0.00 0.00 46.19 44.79 2a9m s LEU 4 CO 0.01 0.13 -0.21 0.68 0.23 0.00 0.00 176.35 177.19 2a9m s VAL 5 N 0.50 2.16 0.36 -1.59 -7.23 -0.43 -4.22 120.40 109.94 2a9m s VAL 5 Ca -0.14 -0.96 0.01 0.00 -1.81 0.00 0.00 61.98 59.08 2a9m s VAL 5 Cb -0.17 -1.86 -0.03 0.00 0.56 0.00 0.00 36.38 34.88 2a9m s VAL 5 CO 0.05 0.55 0.55 -1.61 -0.31 0.00 0.00 175.10 174.33 2a9m s GLU 6 N 0.69 3.40 -0.03 4.82 2.02 -1.26 -1.29 118.70 127.05 2a9m s GLU 6 Ca -0.10 -0.41 -0.29 0.00 0.02 0.00 0.00 54.97 54.20 2a9m s GLU 6 Cb -0.16 -2.66 0.06 0.00 0.10 0.00 0.00 34.13 31.47 2a9m s GLU 6 CO 0.01 0.09 0.63 0.45 0.02 0.00 0.00 175.26 176.47 2a9m s SER 7 N -4.07 -0.60 0.00 -0.19 0.15 -1.01 -4.99 113.70 102.99 2a9m s SER 7 Ca 0.41 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.65 2a9m s SER 7 Cb -0.10 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 2a9m s SER 7 CO 0.36 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.79 2a9m n GLY 9 N 0.84 1.32 3.60 9.45 0.00 -1.26 -1.88 105.19 117.26 2a9m n GLY 9 Ca -0.19 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.30 2a9m n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a9m n GLY 10 N 0.00 0.47 3.51 -0.02 0.00 -1.26 -4.86 105.19 103.03 2a9m n GLY 10 Ca 0.00 0.74 -0.09 0.00 0.00 0.00 0.00 46.02 46.67 2a9m n GLY 10 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2a9m s ASN 11 N 0.88 -0.12 -0.07 1.61 3.04 -0.98 -4.88 114.94 114.41 2a9m s ASN 11 Ca 0.87 -0.74 -0.18 0.00 0.04 0.00 0.00 52.86 52.85 2a9m s ASN 11 Cb -1.00 0.55 -0.05 0.00 -1.54 0.00 0.00 41.25 39.22 2a9m s ASN 11 CO 0.50 -1.05 0.47 -0.22 -3.04 0.00 0.00 177.10 173.76 2a9m s LEU 12 N -2.95 4.35 0.07 3.21 1.98 -1.26 -1.86 118.68 122.21 2a9m s LEU 12 Ca 0.16 0.90 0.04 0.00 -2.89 0.00 0.00 54.13 52.34 2a9m s LEU 12 Cb 0.00 -2.70 -0.03 0.00 0.66 0.00 0.00 46.19 44.12 2a9m s LEU 12 CO 0.02 0.10 -0.11 0.68 -1.89 0.00 0.00 176.35 175.16 2a9m s VAL 13 N 0.04 0.85 0.57 1.68 -7.23 0.19 -4.97 120.40 111.53 2a9m s VAL 13 Ca 0.26 -1.33 -0.14 0.00 -1.81 0.00 0.00 61.98 58.96 2a9m s VAL 13 Cb -0.16 -0.99 -0.06 0.00 0.56 0.00 0.00 36.38 35.73 2a9m s VAL 13 CO 0.12 -0.38 1.01 -1.10 -0.31 0.00 0.00 175.10 174.44 2a9m s GLN 14 N -2.01 3.69 0.21 4.82 1.11 -1.26 -1.77 119.66 124.45 2a9m s GLN 14 Ca -0.03 0.93 -0.32 0.00 0.01 0.00 0.00 55.36 55.95 2a9m s GLN 14 Cb -0.08 -2.09 -0.13 0.00 -1.01 0.00 0.00 33.01 29.69 2a9m s GLN 14 CO 0.01 -0.49 1.51 -2.30 0.01 0.00 0.00 175.29 174.03 2a9m n PRO 15 N -2.11 2.16 -0.18 2.91 -0.02 -1.26 -1.39 135.00 135.11 2a9m n PRO 15 Ca 0.07 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 2a9m n PRO 15 Cb 0.54 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 2a9m n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a9m n GLY 16 N 2.80 1.28 3.82 -1.23 0.00 0.45 -4.95 105.19 107.35 2a9m n GLY 16 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2a9m n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a9m s GLY 17 N -1.83 1.74 0.08 -0.02 0.00 -0.49 -4.02 107.32 102.78 2a9m s GLY 17 Ca 0.00 -1.24 0.01 0.00 0.00 0.00 0.00 44.72 43.49 2a9m s GLY 17 CO 0.00 -0.37 -0.05 -1.35 0.00 0.00 0.00 173.10 171.32 2a9m s SER 18 N -4.64 0.92 -0.23 1.64 1.04 -1.26 -1.81 113.70 109.36 2a9m s SER 18 Ca 0.75 -0.98 -0.22 0.00 0.48 0.00 0.00 55.95 55.98 2a9m s SER 18 Cb -0.04 0.12 0.06 0.00 0.10 0.00 0.00 66.02 66.26 2a9m s SER 18 CO 0.54 -0.49 0.62 -0.22 0.98 0.00 0.00 173.24 174.67 2a9m s LEU 19 N -2.92 -0.37 -0.14 2.42 0.20 -0.43 -5.01 118.68 112.43 2a9m s LEU 19 Ca 0.09 1.23 -0.02 0.00 0.69 0.00 0.00 54.13 56.12 2a9m s LEU 19 Cb 0.05 2.14 -0.02 0.00 -0.43 0.00 0.00 46.19 47.93 2a9m s LEU 19 CO -0.06 -0.23 -0.09 -0.60 -0.29 0.00 0.00 176.35 175.08 2a9m s ARG 20 N 0.27 3.49 -0.03 1.98 3.52 -1.26 -1.02 118.95 125.89 2a9m s ARG 20 Ca -0.00 -0.61 -0.01 0.00 -0.13 0.00 0.00 55.73 54.98 2a9m s ARG 20 Cb -0.04 -2.74 -0.04 0.00 -1.56 0.00 0.00 34.95 30.57 2a9m s ARG 20 CO 0.01 0.24 0.04 -0.51 -0.81 0.00 0.00 175.30 174.27 2a9m s LEU 21 N 0.32 3.71 0.10 -0.88 1.43 -0.32 -4.68 118.68 118.35 2a9m s LEU 21 Ca -0.08 0.11 0.07 0.00 -1.03 0.00 0.00 54.13 53.20 2a9m s LEU 21 Cb -0.15 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 2a9m s LEU 21 CO 0.04 0.31 -0.10 -0.94 0.23 0.00 0.00 176.35 175.90 2a9m s SER 22 N -1.41 4.42 -0.30 2.29 1.04 -0.79 -1.03 113.70 117.92 2a9m s SER 22 Ca 0.19 -0.36 -0.02 0.00 0.48 0.00 0.00 55.95 56.23 2a9m s SER 22 Cb -0.12 -0.86 0.10 0.00 0.10 0.00 0.00 66.02 65.24 2a9m s SER 22 CO 0.09 0.19 0.11 0.00 0.98 0.00 0.00 173.24 174.60 2a9m s ALA 24 N 1.78 3.65 0.21 0.00 0.00 -0.41 -1.29 121.76 125.70 2a9m s ALA 24 Ca 0.10 -0.72 -0.10 0.00 0.00 0.00 0.00 51.96 51.24 2a9m s ALA 24 Cb -0.17 -2.16 -0.07 0.00 0.00 0.00 0.00 23.12 20.72 2a9m s ALA 24 CO -0.29 0.12 0.54 0.00 0.00 0.00 0.00 175.76 176.13 2a9m s ALA 25 N 0.43 3.58 -0.00 0.00 0.00 -0.81 -1.32 121.76 123.65 2a9m s ALA 25 Ca 0.07 -0.26 -0.00 0.00 0.00 0.00 0.00 51.96 51.77 2a9m s ALA 25 Cb -0.11 -2.43 -0.00 0.00 0.00 0.00 0.00 23.12 20.57 2a9m s ALA 25 CO -0.01 0.51 0.01 -1.54 0.00 0.00 0.00 175.76 174.72 2a9m s SER 26 N -2.24 0.03 0.00 0.00 1.04 -0.77 -4.90 113.70 106.86 2a9m s SER 26 Ca 0.45 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.82 2a9m s SER 26 Cb -0.12 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.04 2a9m s SER 26 CO 0.21 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.98 2a9m n GLY 27 N 2.80 0.85 3.49 7.32 0.00 -1.26 -2.00 105.19 116.39 2a9m n GLY 27 Ca -0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 2a9m n GLY 27 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2a9m s PHE 29 N -2.82 -0.37 -0.34 1.61 -0.12 -1.26 -4.78 117.98 109.90 2a9m s PHE 29 Ca 0.00 0.22 -0.25 0.00 -0.05 0.00 0.00 56.93 56.86 2a9m s PHE 29 Cb 0.00 0.54 0.01 0.00 -0.63 0.00 0.00 43.02 42.94 2a9m s PHE 29 CO 0.00 -0.60 0.85 0.99 -0.05 0.00 0.00 175.22 176.41 2a9m s THR 30 N -3.23 4.69 0.20 -4.49 2.01 -1.26 -4.94 115.64 108.63 2a9m s THR 30 Ca 0.04 1.15 -0.08 0.00 0.31 0.00 0.00 61.69 63.12 2a9m s THR 30 Cb -0.01 -4.24 0.13 0.00 0.01 0.00 0.00 72.50 68.39 2a9m s THR 30 CO -0.09 -0.40 1.75 0.15 -0.69 0.00 0.00 174.62 175.33 2a9m h PHE 31 N 8.31 1.18 0.00 4.92 -0.00 -1.95 -2.36 116.94 127.05 2a9m h PHE 31 Ca -0.24 -0.11 0.00 0.00 -0.00 0.00 0.00 57.97 57.62 2a9m h PHE 31 Cb 1.09 -0.35 0.00 0.00 -0.00 0.00 0.00 35.95 36.69 2a9m h PHE 31 CO 0.80 0.93 0.09 0.78 -0.00 0.00 0.00 178.31 180.91 2a9m h GLY 32 N 1.10 0.00 2.00 2.40 0.00 -1.92 -0.92 103.07 105.73 2a9m h GLY 32 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 2a9m h GLY 32 CO -0.01 0.00 0.00 0.23 0.00 0.00 0.00 176.54 176.76 2a9m h SER 33 N 0.00 0.00 -3.59 0.19 0.87 -1.67 -3.32 113.55 106.02 2a9m h SER 33 Ca 0.00 0.00 -0.67 0.00 -1.23 0.00 0.00 61.79 59.89 2a9m h SER 33 Cb 0.18 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 61.94 2a9m h SER 33 CO 0.00 0.00 -0.84 -0.36 -0.53 0.00 0.00 176.83 175.10 2a9m s PHE 39 N -3.45 2.33 0.72 2.24 0.40 -0.35 -4.72 117.98 115.14 2a9m s PHE 39 Ca 0.03 -0.36 -0.12 0.00 -0.60 0.00 0.00 56.93 55.88 2a9m s PHE 39 Cb 0.09 -1.21 0.03 0.00 0.51 0.00 0.00 43.02 42.44 2a9m s PHE 39 CO 0.48 0.41 1.09 -1.54 0.70 0.00 0.00 175.22 176.37 2a9m s SER 40 N -2.32 4.84 0.14 1.36 1.04 -1.26 -4.00 113.70 113.49 2a9m s SER 40 Ca 0.17 1.85 -0.17 0.00 0.48 0.00 0.00 55.95 58.28 2a9m s SER 40 Cb -0.09 -2.53 0.04 0.00 0.10 0.00 0.00 66.02 63.54 2a9m s SER 40 CO 0.08 -1.81 0.45 0.00 0.98 0.00 0.00 173.24 172.94 2a9m s MET 41 N -4.64 1.15 0.07 4.02 0.23 -0.44 -0.33 119.30 119.36 2a9m s MET 41 Ca 0.63 -0.69 0.01 0.00 -1.03 0.00 0.00 55.69 54.61 2a9m s MET 41 Cb -0.18 0.50 -0.04 0.00 -1.53 0.00 0.00 34.83 33.59 2a9m s MET 41 CO 0.51 -0.47 -0.06 -1.12 -2.03 0.00 0.00 175.02 171.85 2a9m s SER 42 N -2.81 0.92 -0.21 -1.18 0.01 0.21 -1.29 113.70 109.35 2a9m s SER 42 Ca 0.04 -0.86 -0.09 0.00 1.31 0.00 0.00 55.95 56.34 2a9m s SER 42 Cb 0.01 0.10 -0.04 0.00 0.21 0.00 0.00 66.02 66.29 2a9m s SER 42 CO -0.11 -0.41 0.11 0.26 0.41 0.00 0.00 173.24 173.50 2a9m s TRP 43 N -2.99 3.29 -0.08 2.43 0.52 0.11 -1.15 118.94 121.07 2a9m s TRP 43 Ca 0.04 0.13 0.04 0.00 0.02 0.00 0.00 56.10 56.33 2a9m s TRP 43 Cb 0.01 -2.17 0.00 0.00 -1.15 0.00 0.00 33.47 30.16 2a9m s TRP 43 CO -0.04 0.11 -0.20 0.08 0.02 0.00 0.00 176.95 176.92 2a9m s VAL 44 N 0.70 1.71 0.25 4.03 1.01 0.25 -0.96 120.40 127.39 2a9m s VAL 44 Ca 0.06 -0.83 0.09 0.00 0.00 0.00 0.00 61.98 61.30 2a9m s VAL 44 Cb -0.13 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 2a9m s VAL 44 CO 0.02 0.48 0.02 0.00 0.00 0.00 0.00 175.10 175.61 2a9m s ARG 45 N 0.30 2.37 -0.18 2.72 1.70 0.20 0.35 118.95 126.41 2a9m s ARG 45 Ca -0.13 -1.35 -0.04 0.00 -0.47 0.00 0.00 55.73 53.75 2a9m s ARG 45 Cb -0.16 -2.22 0.06 0.00 -0.57 0.00 0.00 34.95 32.06 2a9m s ARG 45 CO 0.06 0.38 0.06 -1.14 -1.08 0.00 0.00 175.30 173.57 2a9m s GLN 46 N -3.61 0.41 0.67 3.89 0.74 0.28 -1.34 119.66 120.71 2a9m s GLN 46 Ca 0.31 -0.27 -0.11 0.00 0.05 0.00 0.00 55.36 55.34 2a9m s GLN 46 Cb -0.07 -1.97 -0.01 0.00 1.10 0.00 0.00 33.01 32.06 2a9m s GLN 46 CO 0.20 -0.65 1.05 0.00 -0.55 0.00 0.00 175.29 175.35 2a9m s ALA 47 N 1.97 2.81 0.16 1.58 0.00 -1.26 -1.73 121.76 125.29 2a9m s ALA 47 Ca 0.00 0.02 -0.33 0.00 0.00 0.00 0.00 51.96 51.66 2a9m s ALA 47 Cb -0.17 -3.14 -0.13 0.00 0.00 0.00 0.00 23.12 19.68 2a9m s ALA 47 CO -0.08 -1.07 1.69 -2.30 0.00 0.00 0.00 175.76 174.00 2a9m n PRO 48 N -3.02 2.46 -0.71 0.00 -0.02 -1.26 -0.64 135.00 131.81 2a9m n PRO 48 Ca 0.07 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 2a9m n PRO 48 Cb 0.54 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 2a9m n PRO 48 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a9m n GLY 49 N 3.79 0.58 4.01 -1.23 0.00 -1.26 -4.98 105.19 106.10 2a9m n GLY 49 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 2a9m n GLY 49 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a9m s GLY 50 N -2.00 1.81 0.00 -0.02 0.00 0.18 -5.13 107.32 102.16 2a9m s GLY 50 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 44.72 42.88 2a9m s GLY 50 CO 0.00 -1.46 0.00 0.61 0.00 0.00 0.00 173.10 172.25 2a9m n GLY 51 N -2.24 0.78 3.75 0.20 0.00 -1.26 -4.66 105.19 101.76 2a9m n GLY 51 Ca 0.12 -1.88 -0.40 0.00 0.00 0.00 0.00 46.02 43.86 2a9m n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a9m s LEU 52 N 0.00 4.46 -0.07 0.99 1.02 -1.26 -4.19 118.68 119.63 2a9m s LEU 52 Ca 0.00 1.43 -0.00 0.00 0.02 0.00 0.00 54.13 55.58 2a9m s LEU 52 Cb 0.00 -3.20 0.02 0.00 0.02 0.00 0.00 46.19 43.04 2a9m s LEU 52 CO 0.00 0.05 -0.04 -0.70 0.02 0.00 0.00 176.35 175.68 2a9m s GLU 53 N -0.20 0.95 0.33 1.70 2.12 -0.45 -5.00 118.70 118.15 2a9m s GLU 53 Ca 0.37 -0.07 -0.29 0.00 0.36 0.00 0.00 54.97 55.35 2a9m s GLU 53 Cb -0.20 -1.11 -0.10 0.00 0.26 0.00 0.00 34.13 32.98 2a9m s GLU 53 CO 0.23 -0.22 1.31 -0.46 -0.54 0.00 0.00 175.26 175.58 2a9m s TRP 54 N 1.55 3.05 0.00 5.30 -0.00 -1.26 -0.62 118.94 126.95 2a9m s TRP 54 Ca -0.00 1.41 0.00 0.00 -0.00 0.00 0.00 56.10 57.51 2a9m s TRP 54 Cb -0.13 -3.68 0.00 0.00 -0.00 0.00 0.00 33.47 29.66 2a9m s TRP 54 CO -0.04 -1.86 0.00 0.28 -0.00 0.00 0.00 176.95 175.33 2a9m n VAL 55 N 0.82 0.00 -3.65 5.86 0.31 -0.14 -4.70 118.33 116.84 2a9m n VAL 55 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 2a9m n VAL 55 Cb 0.42 -0.66 -0.02 0.00 -0.91 0.00 0.00 33.84 32.67 2a9m n VAL 55 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2a9m s ALA 56 N -1.80 -1.62 0.09 3.52 0.00 -1.11 -0.83 121.76 120.01 2a9m s ALA 56 Ca 0.00 0.36 -0.27 0.00 0.00 0.00 0.00 51.96 52.05 2a9m s ALA 56 Cb 0.00 0.65 0.08 0.00 0.00 0.00 0.00 23.12 23.86 2a9m s ALA 56 CO 0.00 -0.90 1.08 0.20 0.00 0.00 0.00 175.76 176.14 2a9m s GLY 57 N -2.78 -0.30 -0.00 0.00 0.00 -0.45 0.05 107.32 103.84 2a9m s GLY 57 Ca 0.08 0.34 0.08 0.00 0.00 0.00 0.00 44.72 45.22 2a9m s GLY 57 CO -0.03 0.05 -0.24 1.08 0.00 0.00 0.00 173.10 173.97 2a9m s LEU 58 N -2.95 2.07 0.49 0.66 1.43 -0.41 -1.97 118.68 118.00 2a9m s LEU 58 Ca 0.13 -0.46 -0.17 0.00 -1.03 0.00 0.00 54.13 52.60 2a9m s LEU 58 Cb 0.01 -1.20 -0.08 0.00 0.03 0.00 0.00 46.19 44.95 2a9m s LEU 58 CO -0.00 0.27 0.96 -0.94 0.23 0.00 0.00 176.35 176.87 2a9m s SER 59 N -0.71 6.68 0.00 2.29 1.04 -0.62 -1.33 113.70 121.04 2a9m s SER 59 Ca 0.09 1.55 0.00 0.00 0.48 0.00 0.00 55.95 58.07 2a9m s SER 59 Cb -0.09 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.53 2a9m s SER 59 CO -0.00 -0.52 0.54 0.00 0.98 0.00 0.00 173.24 174.24 2a9m n ALA 60 N -1.35 -0.03 1.08 5.32 0.00 -1.26 -3.92 120.51 120.35 2a9m n ALA 60 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.63 2a9m n ALA 60 Cb 0.54 0.04 0.36 0.00 0.00 0.00 0.00 19.45 20.39 2a9m n ALA 60 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2a9m n ARG 61 N -0.69 0.20 -2.53 0.00 0.00 -1.25 -4.60 116.66 107.79 2a9m n ARG 61 Ca 0.00 -0.10 -0.16 0.00 -0.00 0.00 0.00 57.85 57.59 2a9m n ARG 61 Cb 0.00 -1.50 0.06 0.00 0.00 0.00 0.00 32.46 31.02 2a9m n ARG 61 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2a9m n SER 65 N -1.31 1.61 -1.21 6.15 7.64 -1.25 -5.03 113.62 120.21 2a9m n SER 65 Ca 0.08 -2.19 0.05 0.00 1.01 0.00 0.00 58.87 57.81 2a9m n SER 65 Cb 0.33 -0.37 0.28 0.00 -1.01 0.00 0.00 64.21 63.44 2a9m n SER 65 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2a9m n SER 66 N -2.53 4.10 -4.70 6.43 7.64 -1.26 -4.66 113.62 118.64 2a9m n SER 66 Ca 0.13 -3.13 -0.42 0.00 1.01 0.00 0.00 58.87 56.46 2a9m n SER 66 Cb 0.48 -0.60 -0.03 0.00 -1.01 0.00 0.00 64.21 63.05 2a9m n SER 66 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2a9m s LEU 67 N -2.90 4.36 0.20 -3.43 1.43 -1.26 -4.90 118.68 112.18 2a9m s LEU 67 Ca 0.46 2.43 0.07 0.00 -1.03 0.00 0.00 54.13 56.05 2a9m s LEU 67 Cb 0.37 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.98 2a9m s LEU 67 CO 0.09 -0.78 0.08 0.42 0.23 0.00 0.00 176.35 176.39 2a9m s THR 68 N 1.76 4.07 0.24 5.49 -4.23 -1.26 -1.59 115.64 120.12 2a9m s THR 68 Ca 0.69 -1.38 -0.14 0.00 -1.18 0.00 0.00 61.69 59.68 2a9m s THR 68 Cb -0.39 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 70.35 2a9m s THR 68 CO 0.31 -0.19 0.50 -2.28 -0.54 0.00 0.00 174.62 172.41 2a9m s HIS 69 N -1.89 0.24 0.01 3.99 2.46 -0.83 -5.01 115.29 114.26 2a9m s HIS 69 Ca 0.30 -0.61 -0.02 0.00 0.47 0.00 0.00 55.06 55.20 2a9m s HIS 69 Cb -0.09 0.26 -0.01 0.00 -0.13 0.00 0.00 32.58 32.61 2a9m s HIS 69 CO 0.21 -1.00 0.02 0.71 -2.47 0.00 0.00 174.74 172.22 2a9m s TYR 70 N -3.99 0.18 0.50 3.88 1.51 -1.26 -1.34 117.35 116.83 2a9m s TYR 70 Ca 0.19 -0.38 -0.22 0.00 -1.01 0.00 0.00 57.07 55.65 2a9m s TYR 70 Cb -0.01 -0.14 -0.06 0.00 -0.11 0.00 0.00 41.96 41.64 2a9m s TYR 70 CO 0.07 -0.21 1.21 0.00 -1.11 0.00 0.00 175.55 175.51 2a9m s ALA 71 N -1.37 2.88 0.36 3.71 0.00 -0.01 -4.82 121.76 122.50 2a9m s ALA 71 Ca -0.15 1.03 0.10 0.00 0.00 0.00 0.00 51.96 52.94 2a9m s ALA 71 Cb -0.09 -3.43 0.85 0.00 0.00 0.00 0.00 23.12 20.45 2a9m s ALA 71 CO -0.00 -0.88 1.85 -0.44 0.00 0.00 0.00 175.76 176.29 2a9m h ASP 72 N 1.74 0.63 0.20 0.00 3.45 -1.95 -0.37 116.42 120.13 2a9m h ASP 72 Ca -0.50 0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.01 2a9m h ASP 72 Cb 1.27 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 39.96 2a9m h ASP 72 CO 0.59 0.30 0.00 -1.54 -1.57 0.00 0.00 179.24 177.01 2a9m n SER 73 N -4.58 0.00 0.00 6.45 3.41 -1.26 -3.35 113.62 114.29 2a9m n SER 73 Ca 0.19 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 2a9m n SER 73 Cb 0.52 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 2a9m n SER 73 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2a9m n VAL 74 N -1.41 0.00 -1.68 -3.33 0.31 -0.24 -5.04 118.33 106.93 2a9m n VAL 74 Ca 0.02 -0.09 -0.44 0.00 -0.01 0.00 0.00 64.34 63.82 2a9m n VAL 74 Cb 0.07 0.56 -0.01 0.00 -0.91 0.00 0.00 33.84 33.54 2a9m n VAL 74 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2a9m n LYS 75 N -0.57 2.00 0.00 5.55 5.02 -0.63 -2.16 118.16 127.37 2a9m n LYS 75 Ca 0.00 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 56.99 2a9m n LYS 75 Cb 0.00 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 32.73 2a9m n LYS 75 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2a9m n GLY 76 N 1.30 2.35 0.00 0.72 0.00 -1.26 -4.76 105.19 103.54 2a9m n GLY 76 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2a9m n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a9m n ARG 77 N -2.00 3.56 -4.16 1.61 1.74 -0.96 -5.02 116.66 111.43 2a9m n ARG 77 Ca 0.00 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.73 2a9m n ARG 77 Cb 0.00 -0.99 -0.09 0.00 -1.02 0.00 0.00 32.46 30.36 2a9m n ARG 77 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2a9m s PHE 78 N -1.97 3.26 -0.16 -1.55 0.40 -0.92 -1.11 117.98 115.93 2a9m s PHE 78 Ca 0.00 0.16 0.01 0.00 -0.60 0.00 0.00 56.93 56.51 2a9m s PHE 78 Cb 0.00 -1.94 0.02 0.00 0.51 0.00 0.00 43.02 41.61 2a9m s PHE 78 CO 0.00 0.36 -0.20 0.99 0.70 0.00 0.00 175.22 177.07 2a9m s THR 79 N -0.34 1.97 -0.13 0.64 2.01 0.29 -4.86 115.64 115.23 2a9m s THR 79 Ca 0.08 -0.90 -0.08 0.00 0.31 0.00 0.00 61.69 61.10 2a9m s THR 79 Cb -0.12 -1.78 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 2a9m s THR 79 CO 0.02 0.53 0.16 -0.51 -0.69 0.00 0.00 174.62 174.12 2a9m s ILE 80 N 1.15 5.46 0.01 1.82 2.07 -1.26 -0.56 121.20 129.89 2a9m s ILE 80 Ca 0.01 0.25 -0.11 0.00 -1.41 0.00 0.00 60.65 59.39 2a9m s ILE 80 Cb -0.14 -3.43 0.01 0.00 0.13 0.00 0.00 42.46 39.03 2a9m s ILE 80 CO -0.09 0.58 0.23 -0.94 -1.91 0.00 0.00 174.94 172.82 2a9m s SER 81 N -0.78 -0.06 -0.04 4.50 1.04 -0.78 -4.98 113.70 112.60 2a9m s SER 81 Ca 0.14 -0.16 -0.03 0.00 0.48 0.00 0.00 55.95 56.38 2a9m s SER 81 Cb -0.12 0.28 -0.04 0.00 0.10 0.00 0.00 66.02 66.24 2a9m s SER 81 CO 0.04 -0.48 0.16 0.00 0.98 0.00 0.00 173.24 173.93 2a9m s ARG 82 N -1.88 3.39 -0.52 4.02 1.70 -1.26 -0.98 118.95 123.43 2a9m s ARG 82 Ca -0.10 -0.29 -0.02 0.00 -0.47 0.00 0.00 55.73 54.85 2a9m s ARG 82 Cb -0.04 -3.09 0.14 0.00 -0.57 0.00 0.00 34.95 31.39 2a9m s ARG 82 CO 0.00 0.70 0.31 0.34 -1.08 0.00 0.00 175.30 175.57 2a9m s ASP 83 N -1.68 5.13 0.38 -2.89 3.68 -0.15 -4.96 116.67 116.18 2a9m s ASP 83 Ca 0.24 -2.53 0.08 0.00 2.13 0.00 0.00 52.55 52.47 2a9m s ASP 83 Cb -0.12 -1.81 0.77 0.00 -1.45 0.00 0.00 42.92 40.31 2a9m s ASP 83 CO 0.14 -0.42 1.95 0.78 0.13 0.00 0.00 175.17 177.75 2a9m h ASN 84 N 7.39 0.35 -0.84 -0.34 -0.26 -1.96 -0.99 115.58 118.93 2a9m h ASN 84 Ca -0.07 -0.05 0.01 0.00 -0.56 0.00 0.00 56.30 55.64 2a9m h ASN 84 Cb 0.98 -0.09 -0.04 0.00 -1.06 0.00 0.00 38.32 38.11 2a9m h ASN 84 CO 0.70 0.41 0.56 0.00 -1.06 0.00 0.00 177.43 178.03 2a9m h ALA 85 N 1.64 1.41 -0.24 -0.83 0.00 -1.94 -2.28 119.26 117.03 2a9m h ALA 85 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2a9m h ALA 85 Cb 0.24 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2a9m h ALA 85 CO 0.01 0.54 0.00 1.63 0.00 0.00 0.00 179.25 181.43 2a9m n LYS 86 N -4.41 2.31 -3.75 0.00 5.02 -1.05 -4.97 118.16 111.31 2a9m n LYS 86 Ca 0.10 -1.95 -0.26 0.00 -2.02 0.00 0.00 58.31 54.17 2a9m n LYS 86 Cb 0.04 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 33.59 2a9m n LYS 86 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2a9m n ASN 87 N 1.23 -2.72 -3.77 4.39 5.15 -0.57 -4.75 115.26 114.21 2a9m n ASN 87 Ca 0.17 -0.95 -0.11 0.00 -0.60 0.00 0.00 54.58 53.10 2a9m n ASN 87 Cb 0.56 -3.56 -0.05 0.00 -0.53 0.00 0.00 39.78 36.20 2a9m n ASN 87 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2a9m s SER 88 N -3.99 0.20 0.01 1.20 1.04 -0.48 -1.92 113.70 109.76 2a9m s SER 88 Ca 0.20 -1.13 0.04 0.00 0.48 0.00 0.00 55.95 55.55 2a9m s SER 88 Cb -0.07 0.60 -0.02 0.00 0.10 0.00 0.00 66.02 66.64 2a9m s SER 88 CO 0.85 -1.18 -0.14 -0.69 0.98 0.00 0.00 173.24 173.06 2a9m s VAL 89 N -3.70 1.09 0.15 5.02 1.01 -0.41 -0.98 120.40 122.58 2a9m s VAL 89 Ca 0.26 -0.77 0.09 0.00 0.00 0.00 0.00 61.98 61.56 2a9m s VAL 89 Cb -0.00 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 2a9m s VAL 89 CO 0.12 0.17 -0.15 -0.31 0.00 0.00 0.00 175.10 174.93 2a9m s TYR 90 N -0.55 2.55 -0.20 5.22 2.02 -0.15 -0.04 117.35 126.20 2a9m s TYR 90 Ca 0.04 -0.25 0.00 0.00 -0.37 0.00 0.00 57.07 56.49 2a9m s TYR 90 Cb -0.06 -1.30 0.05 0.00 -0.40 0.00 0.00 41.96 40.24 2a9m s TYR 90 CO 0.00 0.45 -0.07 -1.17 -1.57 0.00 0.00 175.55 173.19 2a9m s LEU 91 N -2.45 2.14 -0.30 -1.29 2.96 -0.20 -1.86 118.68 117.69 2a9m s LEU 91 Ca 0.21 -0.91 -0.18 0.00 -0.22 0.00 0.00 54.13 53.03 2a9m s LEU 91 Cb -0.10 -1.11 -0.02 0.00 0.50 0.00 0.00 46.19 45.47 2a9m s LEU 91 CO 0.12 -0.19 0.52 -1.58 -1.32 0.00 0.00 176.35 173.91 2a9m s GLN 92 N 1.48 3.89 -0.34 1.98 2.00 0.28 -1.17 119.66 127.77 2a9m s GLN 92 Ca -0.02 0.14 -0.05 0.00 -2.00 0.00 0.00 55.36 53.43 2a9m s GLN 92 Cb -0.17 -3.72 0.05 0.00 0.80 0.00 0.00 33.01 29.98 2a9m s GLN 92 CO -0.07 -0.48 0.10 -1.64 -0.50 0.00 0.00 175.29 172.70 2a9m s MET 93 N 2.37 2.51 0.35 1.67 -1.94 -0.19 -0.55 119.30 123.52 2a9m s MET 93 Ca 0.21 -1.29 0.08 0.00 -1.71 0.00 0.00 55.69 52.97 2a9m s MET 93 Cb -0.15 -3.42 -0.03 0.00 2.01 0.00 0.00 34.83 33.23 2a9m s MET 93 CO 0.11 -0.72 0.25 -0.80 -0.01 0.00 0.00 175.02 173.85 2a9m s ASN 94 N 1.47 5.00 -1.32 3.03 0.02 -0.27 -1.31 114.94 121.57 2a9m s ASN 94 Ca -0.01 -0.65 -0.17 0.00 -1.02 0.00 0.00 52.86 51.01 2a9m s ASN 94 Cb -0.20 -0.81 0.01 0.00 0.02 0.00 0.00 41.25 40.27 2a9m s ASN 94 CO 0.01 -0.38 0.49 -1.20 0.02 0.00 0.00 177.10 176.04 2a9m n SER 95 N -1.31 -2.39 -4.77 -1.22 7.64 -1.16 -4.66 113.62 105.74 2a9m n SER 95 Ca -0.02 -1.18 -0.37 0.00 1.01 0.00 0.00 58.87 58.32 2a9m n SER 95 Cb 0.61 -2.30 -0.02 0.00 -1.01 0.00 0.00 64.21 61.49 2a9m n SER 95 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2a9m s LEU 96 N -7.14 4.04 0.32 -3.43 1.43 -0.75 -4.72 118.68 108.43 2a9m s LEU 96 Ca 0.27 2.26 0.08 0.00 -1.03 0.00 0.00 54.13 55.71 2a9m s LEU 96 Cb -0.13 -4.23 -0.06 0.00 0.03 0.00 0.00 46.19 41.80 2a9m s LEU 96 CO 0.94 -0.83 -0.06 -0.13 0.23 0.00 0.00 176.35 176.49 2a9m s ARG 97 N -2.66 1.71 0.32 1.70 0.52 -1.26 -0.41 118.95 118.87 2a9m s ARG 97 Ca 0.62 -1.89 0.01 0.00 -0.52 0.00 0.00 55.73 53.96 2a9m s ARG 97 Cb -0.27 -1.43 0.54 0.00 0.52 0.00 0.00 34.95 34.31 2a9m s ARG 97 CO 0.33 0.07 1.95 0.28 0.02 0.00 0.00 175.30 177.95 2a9m h VAL 98 N 2.11 1.19 0.00 3.52 2.07 -1.97 -1.13 116.25 122.05 2a9m h VAL 98 Ca -0.41 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 66.63 2a9m h VAL 98 Cb 1.24 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2a9m h VAL 98 CO 0.70 0.21 0.00 -0.62 0.02 0.00 0.00 177.57 177.88 2a9m n GLU 99 N -4.38 0.03 0.00 1.57 4.71 -1.26 -1.76 120.64 119.55 2a9m n GLU 99 Ca 0.06 0.33 0.14 0.00 -0.01 0.00 0.00 57.16 57.68 2a9m n GLU 99 Cb 0.10 -1.57 0.61 0.00 -1.01 0.00 0.00 31.44 29.57 2a9m n GLU 99 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2a9m n ASP 100 N -1.63 0.17 -4.68 1.62 10.43 -0.43 -4.88 116.55 117.15 2a9m n ASP 100 Ca 0.02 0.00 -0.42 0.00 2.57 0.00 0.00 54.79 56.97 2a9m n ASP 100 Cb 0.14 -0.25 -0.03 0.00 1.84 0.00 0.00 41.12 42.82 2a9m n ASP 100 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 2a9m s THR 101 N -2.78 2.89 -0.17 -3.53 2.01 -0.72 -4.89 115.64 108.45 2a9m s THR 101 Ca 0.21 0.26 -0.35 0.00 0.31 0.00 0.00 61.69 62.12 2a9m s THR 101 Cb 0.19 -3.17 0.14 0.00 0.01 0.00 0.00 72.50 69.67 2a9m s THR 101 CO 0.52 -0.01 1.23 0.00 -0.69 0.00 0.00 174.62 175.68 2a9m s ALA 102 N 3.10 -2.11 -0.03 7.40 0.00 -0.87 -4.38 121.76 124.88 2a9m s ALA 102 Ca 0.79 1.46 -0.25 0.00 0.00 0.00 0.00 51.96 53.96 2a9m s ALA 102 Cb -0.42 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 2a9m s ALA 102 CO 0.35 -0.67 0.78 0.54 0.00 0.00 0.00 175.76 176.76 2a9m s VAL 103 N -2.40 4.94 -0.18 0.00 0.11 -0.70 -1.55 120.40 120.61 2a9m s VAL 103 Ca 0.10 1.64 -0.05 0.00 -2.93 0.00 0.00 61.98 60.74 2a9m s VAL 103 Cb 0.00 -4.13 -0.03 0.00 -1.53 0.00 0.00 36.38 30.70 2a9m s VAL 103 CO -0.04 0.25 -0.00 -0.31 -3.33 0.00 0.00 175.10 171.67 2a9m s TYR 104 N 0.68 3.06 0.03 1.54 1.51 0.12 -0.55 117.35 123.74 2a9m s TYR 104 Ca 0.41 -0.32 0.03 0.00 -1.01 0.00 0.00 57.07 56.18 2a9m s TYR 104 Cb -0.19 -2.04 -0.04 0.00 -0.11 0.00 0.00 41.96 39.58 2a9m s TYR 104 CO 0.22 -0.12 -0.03 0.71 -1.11 0.00 0.00 175.55 175.22 2a9m s TYR 105 N 0.71 2.96 0.12 2.71 1.51 0.15 -1.99 117.35 123.53 2a9m s TYR 105 Ca -0.00 -0.00 0.05 0.00 -1.01 0.00 0.00 57.07 56.10 2a9m s TYR 105 Cb -0.14 -1.60 -0.04 0.00 -0.11 0.00 0.00 41.96 40.07 2a9m s TYR 105 CO 0.02 0.43 0.08 0.00 -1.11 0.00 0.00 175.55 174.97 2a9m s ALA 107 N -1.55 -1.45 0.19 0.00 0.00 -0.30 -0.22 121.76 118.43 2a9m s ALA 107 Ca 0.29 1.59 -0.12 0.00 0.00 0.00 0.00 51.96 53.72 2a9m s ALA 107 Cb -0.11 -0.87 -0.07 0.00 0.00 0.00 0.00 23.12 22.07 2a9m s ALA 107 CO 0.21 -0.28 0.56 -0.98 0.00 0.00 0.00 175.76 175.27 2a9m s ARG 108 N 0.17 3.91 0.24 0.00 1.70 -0.74 -0.62 118.95 123.60 2a9m s ARG 108 Ca -0.01 0.41 -0.20 0.00 -0.47 0.00 0.00 55.73 55.46 2a9m s ARG 108 Cb -0.04 -2.78 -0.09 0.00 -0.57 0.00 0.00 34.95 31.47 2a9m s ARG 108 CO 0.01 0.39 0.75 1.03 -1.08 0.00 0.00 175.30 176.41 2a9m s ARG 109 N -2.38 4.27 0.79 3.89 0.52 0.55 -2.72 118.95 123.88 2a9m s ARG 109 Ca 0.43 0.91 -0.14 0.00 -0.52 0.00 0.00 55.73 56.41 2a9m s ARG 109 Cb -0.13 -2.83 0.07 0.00 0.52 0.00 0.00 34.95 32.58 2a9m s ARG 109 CO 0.20 0.36 1.19 -1.13 0.02 0.00 0.00 175.30 175.93 2a9m n SER 110 N 0.61 1.04 -0.09 0.23 3.41 -0.74 -4.38 113.62 113.70 2a9m n SER 110 Ca -0.01 0.61 -0.06 0.00 -0.26 0.00 0.00 58.87 59.14 2a9m n SER 110 Cb 0.51 -1.50 -0.00 0.00 -0.26 0.00 0.00 64.21 62.96 2a9m n SER 110 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 2a9m h TYR 111 N -0.78 -0.21 0.00 7.33 -0.00 -1.93 -1.41 116.97 119.98 2a9m h TYR 111 Ca -0.47 0.03 0.00 0.00 -0.00 0.00 0.00 58.73 58.29 2a9m h TYR 111 Cb 1.30 0.14 0.00 0.00 -0.00 0.00 0.00 36.73 38.18 2a9m h TYR 111 CO 0.45 -0.16 0.00 -0.40 -0.00 0.00 0.00 178.16 178.06 2a9m n ASP 112 N -5.28 0.11 -0.31 0.10 3.85 -1.26 -1.20 116.55 112.56 2a9m n ASP 112 Ca 0.00 0.55 0.08 0.00 -0.71 0.00 0.00 54.79 54.71 2a9m n ASP 112 Cb 0.19 -0.57 0.13 0.00 -1.35 0.00 0.00 41.12 39.53 2a9m n ASP 112 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 2a9m n SER 113 N -1.65 1.86 -0.57 -1.12 3.41 -0.58 -4.67 113.62 110.29 2a9m n SER 113 Ca -0.00 -3.11 0.06 0.00 -0.26 0.00 0.00 58.87 55.56 2a9m n SER 113 Cb 0.01 -0.42 0.10 0.00 -0.26 0.00 0.00 64.21 63.64 2a9m n SER 113 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2a9m n SER 114 N -1.11 2.44 0.00 4.04 7.64 -0.34 -4.39 113.62 121.91 2a9m n SER 114 Ca 0.14 -1.72 0.00 0.00 1.01 0.00 0.00 58.87 58.30 2a9m n SER 114 Cb 0.68 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 2a9m n SER 114 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a9m n GLY 115 N 0.63 4.18 0.37 0.23 0.00 -1.26 -4.63 105.19 104.71 2a9m n GLY 115 Ca 0.09 -1.79 0.03 0.00 0.00 0.00 0.00 46.02 44.36 2a9m n GLY 115 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2a9m h TYR 116 N 0.00 1.11 -0.71 1.61 -0.00 -1.95 -1.62 116.97 115.41 2a9m h TYR 116 Ca 0.00 0.03 -0.32 0.00 0.00 0.00 0.00 58.73 58.44 2a9m h TYR 116 Cb 0.00 -0.37 -0.19 0.00 0.00 0.00 0.00 36.73 36.17 2a9m h TYR 116 CO 0.00 0.59 0.32 0.91 -0.00 0.00 0.00 178.16 179.98 2a9m n TRP 129 N -4.49 2.26 -0.15 0.10 8.01 -1.26 -4.78 117.44 117.14 2a9m n TRP 129 Ca 0.14 -1.55 0.13 0.00 -1.31 0.00 0.00 57.50 54.92 2a9m n TRP 129 Cb 0.19 -0.72 0.48 0.00 -2.01 0.00 0.00 31.31 29.25 2a9m n TRP 129 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.69 177.46 2a9m h GLY 130 N 1.51 0.72 0.84 6.99 0.00 -1.49 -1.82 103.07 109.81 2a9m h GLY 130 Ca 0.39 -0.19 -0.10 0.00 0.00 0.00 0.00 47.33 47.42 2a9m h GLY 130 CO 0.77 0.09 -0.29 0.45 0.00 0.00 0.00 176.54 177.56 2a9m h HIS 131 N 0.46 0.62 -0.67 5.60 3.86 -1.84 0.44 115.15 123.62 2a9m h HIS 131 Ca 0.34 -0.22 0.13 0.00 -1.16 0.00 0.00 60.37 59.46 2a9m h HIS 131 Cb 0.69 -0.12 -0.09 0.00 1.06 0.00 0.00 27.41 28.95 2a9m h HIS 131 CO -0.00 0.93 0.19 0.74 0.86 0.00 0.00 177.93 180.65 2a9m h PHE 132 N 0.14 0.31 0.00 2.45 0.04 -1.72 -3.10 116.94 115.06 2a9m h PHE 132 Ca 0.01 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.82 2a9m h PHE 132 Cb 0.87 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.99 2a9m h PHE 132 CO 0.09 -0.01 -1.35 0.66 -0.60 0.00 0.00 178.31 177.10 2a9m n TYR 133 N -5.09 0.33 -0.48 -0.55 0.53 -0.97 -5.01 117.16 105.91 2a9m n TYR 133 Ca 0.11 0.10 -0.17 0.00 -1.02 0.00 0.00 57.90 56.92 2a9m n TYR 133 Cb 0.37 -0.56 -0.05 0.00 -1.03 0.00 0.00 39.34 38.08 2a9m n TYR 133 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 2a9m n SER 134 N -2.20 0.17 -3.94 7.72 2.88 0.15 -4.89 113.62 113.50 2a9m n SER 134 Ca -0.00 0.13 -0.09 0.00 -1.33 0.00 0.00 58.87 57.58 2a9m n SER 134 Cb 0.50 -0.32 -0.09 0.00 -0.75 0.00 0.00 64.21 63.56 2a9m n SER 134 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 2a9m s TYR 135 N 2.69 0.24 -0.21 0.66 -0.85 -1.26 -5.07 117.35 113.56 2a9m s TYR 135 Ca 0.45 -0.61 0.01 0.00 -0.52 0.00 0.00 57.07 56.40 2a9m s TYR 135 Cb -0.47 -0.17 0.03 0.00 0.38 0.00 0.00 41.96 41.73 2a9m s TYR 135 CO 0.19 -0.40 -0.16 -1.64 -1.52 0.00 0.00 175.55 172.02 2a9m s MET 136 N -3.06 2.85 -0.24 -3.49 -1.94 -1.26 -1.79 119.30 110.37 2a9m s MET 136 Ca -0.01 -0.93 -0.07 0.00 -1.71 0.00 0.00 55.69 52.97 2a9m s MET 136 Cb 0.01 -2.70 -0.17 0.00 2.01 0.00 0.00 34.83 33.98 2a9m s MET 136 CO -0.07 -0.30 -0.12 -0.40 -0.01 0.00 0.00 175.02 174.13 2a9m n ASP 137 N 4.60 1.99 -4.51 3.03 5.68 -1.10 -4.90 116.55 121.34 2a9m n ASP 137 Ca -0.19 0.12 -0.36 0.00 -0.50 0.00 0.00 54.79 53.86 2a9m n ASP 137 Cb 0.48 -0.67 -0.12 0.00 -1.14 0.00 0.00 41.12 39.67 2a9m n ASP 137 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2a9m s VAL 138 N -2.51 4.50 -0.02 2.12 1.01 -1.26 -5.03 120.40 119.23 2a9m s VAL 138 Ca -0.33 -0.11 0.06 0.00 0.00 0.00 0.00 61.98 61.59 2a9m s VAL 138 Cb 0.10 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 2a9m s VAL 138 CO 0.59 0.36 -0.19 0.26 0.00 0.00 0.00 175.10 176.13 2a9m s TRP 139 N 1.30 2.54 0.89 5.22 0.52 -1.26 -1.80 118.94 126.35 2a9m s TRP 139 Ca 0.05 -0.28 -0.11 0.00 0.02 0.00 0.00 56.10 55.78 2a9m s TRP 139 Cb -0.15 -1.54 0.13 0.00 -1.15 0.00 0.00 33.47 30.76 2a9m s TRP 139 CO 0.04 0.13 1.09 0.20 0.02 0.00 0.00 176.95 178.43 2a9m s GLY 140 N -0.87 1.64 0.42 0.98 0.00 0.69 -4.55 107.32 105.63 2a9m s GLY 140 Ca 0.12 0.12 0.19 0.00 0.00 0.00 0.00 44.72 45.14 2a9m s GLY 140 CO 0.01 0.58 1.87 0.06 0.00 0.00 0.00 173.10 175.62 2a9m h GLN 141 N -1.60 0.00 0.00 2.90 3.07 -1.88 -3.45 115.11 114.16 2a9m h GLN 141 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.26 2a9m h GLN 141 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.83 2a9m h GLN 141 CO 0.51 0.30 0.00 0.41 0.09 0.00 0.00 178.83 180.14 2a9m n GLY 142 N -0.31 -0.00 2.96 0.06 0.00 -1.26 -5.06 105.19 101.59 2a9m n GLY 142 Ca -0.01 -1.31 -0.17 0.00 0.00 0.00 0.00 46.02 44.53 2a9m n GLY 142 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2a9m s THR 143 N -0.76 0.48 -0.19 2.61 -1.32 -0.84 -4.95 115.64 110.68 2a9m s THR 143 Ca 0.00 -0.24 -0.20 0.00 -1.21 0.00 0.00 61.69 60.04 2a9m s THR 143 Cb 0.00 -0.42 -0.03 0.00 -1.51 0.00 0.00 72.50 70.54 2a9m s THR 143 CO 0.00 0.15 0.58 -0.22 -2.21 0.00 0.00 174.62 172.92 2a9m s LEU 144 N -0.02 4.16 -0.23 9.08 0.20 -1.26 -0.70 118.68 129.91 2a9m s LEU 144 Ca 0.01 0.79 -0.06 0.00 0.69 0.00 0.00 54.13 55.56 2a9m s LEU 144 Cb -0.04 -2.82 -0.02 0.00 -0.43 0.00 0.00 46.19 42.88 2a9m s LEU 144 CO -0.00 -0.21 0.02 -0.69 -0.29 0.00 0.00 176.35 175.17 2a9m s VAL 145 N 1.67 3.93 -0.20 1.68 1.01 -0.59 -2.33 120.40 125.57 2a9m s VAL 145 Ca 0.27 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.92 2a9m s VAL 145 Cb -0.16 -2.81 -0.00 0.00 0.00 0.00 0.00 36.38 33.41 2a9m s VAL 145 CO 0.10 0.39 -0.08 -0.89 0.00 0.00 0.00 175.10 174.63 2a9m s THR 146 N 1.41 3.14 -0.31 3.92 2.01 -0.78 -2.04 115.64 122.99 2a9m s THR 146 Ca 0.05 -0.58 -0.07 0.00 0.31 0.00 0.00 61.69 61.40 2a9m s THR 146 Cb -0.15 -2.41 0.02 0.00 0.01 0.00 0.00 72.50 69.97 2a9m s THR 146 CO 0.01 0.45 0.09 -0.69 -0.69 0.00 0.00 174.62 173.80 2a9m s VAL 147 N 1.33 3.98 0.00 3.82 1.01 -1.26 -0.64 120.40 128.64 2a9m s VAL 147 Ca 0.04 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.24 2a9m s VAL 147 Cb -0.14 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.14 2a9m s VAL 147 CO -0.04 0.01 0.00 -1.54 0.00 0.00 0.00 175.10 173.53