#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 4.31 0.17 -0.39 -7.23 -1.26 -4.01 120.40 111.99 2a9m s VAL 2 Ca 0.00 1.64 -0.18 0.00 -1.81 0.00 0.00 61.98 61.63 2a9m s VAL 2 Cb 0.00 -4.05 0.03 0.00 0.56 0.00 0.00 36.38 32.92 2a9m s VAL 2 CO 0.00 0.04 0.50 0.00 -0.31 0.00 0.00 175.10 175.33 2a9m s GLN 3 N 1.80 1.29 -0.07 4.82 -2.07 -0.82 -5.01 119.66 119.60 2a9m s GLN 3 Ca 0.55 -0.78 0.04 0.00 -1.82 0.00 0.00 55.36 53.36 2a9m s GLN 3 Cb -0.25 0.51 -0.00 0.00 -1.09 0.00 0.00 33.01 32.19 2a9m s GLN 3 CO 0.24 -0.54 -0.20 -0.51 -1.32 0.00 0.00 175.29 172.96 2a9m s LEU 4 N -2.84 1.95 -0.10 2.60 1.43 -1.26 -1.61 118.68 118.85 2a9m s LEU 4 Ca 0.07 -0.44 0.04 0.00 -1.03 0.00 0.00 54.13 52.76 2a9m s LEU 4 Cb -0.00 -1.16 0.00 0.00 0.03 0.00 0.00 46.19 45.06 2a9m s LEU 4 CO -0.06 0.15 -0.22 0.68 0.23 0.00 0.00 176.35 177.12 2a9m s VAL 5 N 0.22 1.93 0.28 -1.59 -7.23 -0.32 -4.12 120.40 109.57 2a9m s VAL 5 Ca -0.11 -0.94 0.06 0.00 -1.81 0.00 0.00 61.98 59.18 2a9m s VAL 5 Cb -0.15 -1.68 -0.02 0.00 0.56 0.00 0.00 36.38 35.09 2a9m s VAL 5 CO 0.05 0.53 0.38 -1.61 -0.31 0.00 0.00 175.10 174.14 2a9m s GLU 6 N 0.43 3.21 0.16 4.82 2.02 -1.26 -0.68 118.70 127.41 2a9m s GLU 6 Ca -0.17 -0.92 -0.24 0.00 0.02 0.00 0.00 54.97 53.66 2a9m s GLU 6 Cb -0.17 -2.80 0.06 0.00 0.10 0.00 0.00 34.13 31.32 2a9m s GLU 6 CO 0.07 0.27 0.71 -1.54 0.02 0.00 0.00 175.26 174.80 2a9m s SER 7 N -4.04 -0.41 0.00 -0.19 1.04 -1.09 -4.96 113.70 104.04 2a9m s SER 7 Ca 0.38 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.61 2a9m s SER 7 Cb -0.09 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2a9m s SER 7 CO 0.29 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 174.11 2a9m n GLY 9 N -0.39 1.39 3.77 7.32 0.00 -1.26 -1.14 105.19 114.88 2a9m n GLY 9 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 2a9m n GLY 9 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a9m s GLY 10 N -1.26 2.98 0.14 -0.02 0.00 -1.26 -4.75 107.32 103.14 2a9m s GLY 10 Ca 0.00 1.32 -0.25 0.00 0.00 0.00 0.00 44.72 45.79 2a9m s GLY 10 CO 0.00 1.96 0.95 0.21 0.00 0.00 0.00 173.10 176.23 2a9m s ASN 11 N -0.46 -0.19 -0.07 1.64 3.04 -1.01 -4.85 114.94 113.04 2a9m s ASN 11 Ca 0.51 -0.37 -0.28 0.00 0.04 0.00 0.00 52.86 52.76 2a9m s ASN 11 Cb -0.41 0.48 -0.02 0.00 -1.54 0.00 0.00 41.25 39.76 2a9m s ASN 11 CO 0.54 -0.88 0.93 -0.22 -3.04 0.00 0.00 177.10 174.43 2a9m s LEU 12 N -2.90 4.29 0.12 3.21 2.96 -1.26 -1.97 118.68 123.13 2a9m s LEU 12 Ca 0.12 1.48 0.05 0.00 -0.22 0.00 0.00 54.13 55.55 2a9m s LEU 12 Cb -0.01 -3.45 -0.04 0.00 0.50 0.00 0.00 46.19 43.19 2a9m s LEU 12 CO 0.01 -0.33 -0.13 0.68 -1.32 0.00 0.00 176.35 175.27 2a9m s VAL 13 N 1.52 1.24 0.44 1.68 -7.23 0.71 -4.98 120.40 113.79 2a9m s VAL 13 Ca 0.47 -1.78 -0.17 0.00 -1.81 0.00 0.00 61.98 58.69 2a9m s VAL 13 Cb -0.19 -1.57 -0.09 0.00 0.56 0.00 0.00 36.38 35.09 2a9m s VAL 13 CO 0.21 -0.51 0.90 -1.10 -0.31 0.00 0.00 175.10 174.29 2a9m s GLN 14 N -2.92 4.01 0.12 4.82 1.11 -1.26 -1.49 119.66 124.05 2a9m s GLN 14 Ca 0.10 0.88 -0.35 0.00 0.01 0.00 0.00 55.36 56.00 2a9m s GLN 14 Cb -0.03 -2.23 -0.16 0.00 -1.01 0.00 0.00 33.01 29.58 2a9m s GLN 14 CO 0.02 -0.10 1.31 -2.30 0.01 0.00 0.00 175.29 174.23 2a9m n PRO 15 N -1.09 1.26 0.00 2.91 -0.02 -1.26 -1.52 135.00 135.27 2a9m n PRO 15 Ca 0.06 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2a9m n PRO 15 Cb 0.54 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 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 2.43 2.19 0.49 -1.23 0.00 0.17 -4.94 105.19 104.31 2a9m n GLY 16 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 2a9m n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a9m n GLY 17 N -2.00 -1.34 3.08 -0.02 0.00 -0.58 -3.91 105.19 100.42 2a9m n GLY 17 Ca 0.00 -1.65 -0.08 0.00 0.00 0.00 0.00 46.02 44.30 2a9m n GLY 17 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a9m s SER 18 N -1.66 0.42 -0.12 1.61 1.04 -1.26 -1.19 113.70 112.54 2a9m s SER 18 Ca 0.10 -0.88 -0.17 0.00 0.48 0.00 0.00 55.95 55.48 2a9m s SER 18 Cb -0.00 0.19 0.04 0.00 0.10 0.00 0.00 66.02 66.35 2a9m s SER 18 CO 0.07 -0.56 0.44 -0.76 0.98 0.00 0.00 173.24 173.40 2a9m s LEU 19 N -2.66 0.34 -0.14 2.42 1.43 -0.32 -5.02 118.68 114.73 2a9m s LEU 19 Ca 0.03 0.67 -0.01 0.00 -1.03 0.00 0.00 54.13 53.79 2a9m s LEU 19 Cb 0.05 1.57 -0.01 0.00 0.03 0.00 0.00 46.19 47.82 2a9m s LEU 19 CO -0.08 -0.28 -0.12 -0.60 0.23 0.00 0.00 176.35 175.50 2a9m s ARG 20 N -0.31 3.38 -0.03 1.70 3.52 -1.26 -0.07 118.95 125.88 2a9m s ARG 20 Ca -0.05 -0.67 -0.00 0.00 -0.13 0.00 0.00 55.73 54.88 2a9m s ARG 20 Cb -0.03 -2.69 -0.04 0.00 -1.56 0.00 0.00 34.95 30.63 2a9m s ARG 20 CO 0.03 0.15 0.02 -0.51 -0.81 0.00 0.00 175.30 174.18 2a9m s LEU 21 N 0.52 3.65 0.17 -0.88 1.43 0.07 -4.60 118.68 119.04 2a9m s LEU 21 Ca -0.08 0.09 0.07 0.00 -1.03 0.00 0.00 54.13 53.19 2a9m s LEU 21 Cb -0.16 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 2a9m s LEU 21 CO 0.04 0.31 -0.02 -0.94 0.23 0.00 0.00 176.35 175.97 2a9m s SER 22 N -1.36 4.67 -0.31 2.29 1.04 -0.29 -0.46 113.70 119.27 2a9m s SER 22 Ca 0.18 -0.42 -0.03 0.00 0.48 0.00 0.00 55.95 56.17 2a9m s SER 22 Cb -0.12 -0.96 0.11 0.00 0.10 0.00 0.00 66.02 65.16 2a9m s SER 22 CO 0.08 0.10 0.16 0.00 0.98 0.00 0.00 173.24 174.56 2a9m s ALA 24 N 1.80 3.54 0.43 0.00 0.00 0.14 -1.26 121.76 126.42 2a9m s ALA 24 Ca 0.12 -0.93 -0.15 0.00 0.00 0.00 0.00 51.96 51.00 2a9m s ALA 24 Cb -0.18 -2.29 -0.08 0.00 0.00 0.00 0.00 23.12 20.57 2a9m s ALA 24 CO -0.25 -0.24 0.87 0.00 0.00 0.00 0.00 175.76 176.14 2a9m s ALA 25 N 1.14 3.20 -0.01 0.00 0.00 -0.69 -1.18 121.76 124.23 2a9m s ALA 25 Ca 0.07 0.06 -0.07 0.00 0.00 0.00 0.00 51.96 52.02 2a9m s ALA 25 Cb -0.14 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.06 2a9m s ALA 25 CO 0.05 -0.01 0.14 -1.54 0.00 0.00 0.00 175.76 174.40 2a9m s SER 26 N -2.82 -0.00 0.00 0.00 1.04 -0.63 -4.92 113.70 106.36 2a9m s SER 26 Ca 0.56 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.87 2a9m s SER 26 Cb -0.10 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.25 2a9m s SER 26 CO 0.26 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.78 2a9m n GLY 27 N 1.73 0.67 3.73 7.32 0.00 -1.26 -1.94 105.19 115.44 2a9m n GLY 27 Ca -0.21 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.62 -0.19 -0.29 1.61 -0.12 -1.26 -4.59 117.98 110.52 2a9m s PHE 29 Ca 0.00 -0.13 -0.10 0.00 -0.05 0.00 0.00 56.93 56.65 2a9m s PHE 29 Cb 0.00 0.64 -0.03 0.00 -0.63 0.00 0.00 43.02 42.99 2a9m s PHE 29 CO 0.00 -0.88 0.17 -0.08 -0.05 0.00 0.00 175.22 174.37 2a9m s THR 30 N -3.42 4.99 0.29 -4.49 -1.32 -1.26 -4.95 115.64 105.47 2a9m s THR 30 Ca 0.11 -0.05 -0.02 0.00 -1.21 0.00 0.00 61.69 60.51 2a9m s THR 30 Cb -0.02 -3.42 0.23 0.00 -1.51 0.00 0.00 72.50 67.78 2a9m s THR 30 CO 0.01 0.20 1.93 0.15 -2.21 0.00 0.00 174.62 174.70 2a9m h PHE 31 N 8.36 1.00 0.00 9.09 -0.00 -1.95 -2.65 116.94 130.78 2a9m h PHE 31 Ca -0.35 -0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.62 2a9m h PHE 31 Cb 1.18 -0.32 0.00 0.00 -0.00 0.00 0.00 35.95 36.80 2a9m h PHE 31 CO 0.71 0.68 0.00 0.78 -0.00 0.00 0.00 178.31 180.47 2a9m h GLY 32 N 1.07 0.00 2.00 2.40 0.00 -1.94 -0.02 103.07 106.58 2a9m h GLY 32 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 2a9m h GLY 32 CO -0.05 0.00 0.00 -1.26 0.00 0.00 0.00 176.54 175.23 2a9m n SER 33 N -2.54 0.15 -4.36 0.19 2.88 -1.00 -4.72 113.62 104.23 2a9m n SER 33 Ca -0.00 0.53 -0.20 0.00 -1.33 0.00 0.00 58.87 57.86 2a9m n SER 33 Cb 0.15 -0.56 -0.10 0.00 -0.75 0.00 0.00 64.21 62.94 2a9m n SER 33 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2a9m s PHE 39 N -3.04 1.81 0.66 0.66 0.40 -0.02 -4.94 117.98 113.51 2a9m s PHE 39 Ca 0.10 -0.52 -0.10 0.00 -0.60 0.00 0.00 56.93 55.81 2a9m s PHE 39 Cb 0.13 -0.84 0.00 0.00 0.51 0.00 0.00 43.02 42.82 2a9m s PHE 39 CO 0.41 0.40 1.03 -1.12 0.70 0.00 0.00 175.22 176.63 2a9m s SER 40 N -3.20 5.64 0.12 1.36 0.01 -1.26 -4.02 113.70 112.35 2a9m s SER 40 Ca 0.22 1.07 -0.09 0.00 1.31 0.00 0.00 55.95 58.45 2a9m s SER 40 Cb -0.02 -1.97 -0.00 0.00 0.21 0.00 0.00 66.02 64.23 2a9m s SER 40 CO 0.08 -1.17 0.25 0.00 0.41 0.00 0.00 173.24 172.81 2a9m s MET 41 N -5.22 0.99 0.10 12.44 0.23 -0.48 -1.15 119.30 126.21 2a9m s MET 41 Ca 0.56 -1.02 0.05 0.00 -1.03 0.00 0.00 55.69 54.26 2a9m s MET 41 Cb -0.11 0.37 -0.03 0.00 -1.53 0.00 0.00 34.83 33.52 2a9m s MET 41 CO 0.50 -0.34 -0.13 -1.12 -2.03 0.00 0.00 175.02 171.90 2a9m s SER 42 N -2.90 1.81 -0.17 -1.18 0.01 0.00 -1.64 113.70 109.64 2a9m s SER 42 Ca 0.09 -0.75 -0.07 0.00 1.31 0.00 0.00 55.95 56.53 2a9m s SER 42 Cb 0.04 -0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.18 2a9m s SER 42 CO -0.07 -0.14 0.07 0.26 0.41 0.00 0.00 173.24 173.77 2a9m s TRP 43 N -1.93 3.30 -0.04 2.43 0.52 0.56 -0.86 118.94 122.91 2a9m s TRP 43 Ca 0.05 0.16 0.03 0.00 0.02 0.00 0.00 56.10 56.36 2a9m s TRP 43 Cb -0.06 -2.05 0.00 0.00 -1.15 0.00 0.00 33.47 30.21 2a9m s TRP 43 CO 0.02 0.26 -0.13 0.08 0.02 0.00 0.00 176.95 177.20 2a9m s VAL 44 N 0.12 1.16 0.23 4.03 1.01 0.25 -1.15 120.40 126.04 2a9m s VAL 44 Ca 0.06 -0.55 0.11 0.00 0.00 0.00 0.00 61.98 61.60 2a9m s VAL 44 Cb -0.12 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.20 2a9m s VAL 44 CO 0.00 0.35 -0.16 0.00 0.00 0.00 0.00 175.10 175.29 2a9m s ARG 45 N 0.25 1.79 -0.18 2.72 1.70 0.66 0.04 118.95 125.93 2a9m s ARG 45 Ca -0.06 -1.55 -0.04 0.00 -0.47 0.00 0.00 55.73 53.60 2a9m s ARG 45 Cb -0.12 -1.92 0.09 0.00 -0.57 0.00 0.00 34.95 32.43 2a9m s ARG 45 CO 0.02 0.38 0.30 -1.14 -1.08 0.00 0.00 175.30 173.77 2a9m s GLN 46 N -3.15 0.22 1.05 3.89 0.74 -0.39 -1.17 119.66 120.86 2a9m s GLN 46 Ca 0.26 0.61 -0.16 0.00 0.05 0.00 0.00 55.36 56.12 2a9m s GLN 46 Cb -0.07 -0.37 0.22 0.00 1.10 0.00 0.00 33.01 33.89 2a9m s GLN 46 CO 0.14 -0.45 1.15 0.00 -0.55 0.00 0.00 175.29 175.59 2a9m s ALA 47 N 2.45 1.25 -0.02 1.58 0.00 -1.26 -1.87 121.76 123.88 2a9m s ALA 47 Ca 0.05 -0.79 -0.30 0.00 0.00 0.00 0.00 51.96 50.92 2a9m s ALA 47 Cb -0.14 -2.94 -0.05 0.00 0.00 0.00 0.00 23.12 19.99 2a9m s ALA 47 CO -0.11 -2.93 1.42 -1.25 0.00 0.00 0.00 175.76 172.89 2a9m s PRO 48 N -5.39 4.26 -2.03 0.00 0.05 -1.26 -1.15 135.00 129.49 2a9m s PRO 48 Ca 0.69 1.97 0.00 0.00 0.05 0.00 0.00 61.00 63.70 2a9m s PRO 48 Cb -0.11 -3.65 0.00 0.00 0.05 0.00 0.00 34.50 30.79 2a9m s PRO 48 CO 0.55 -0.63 0.00 0.41 0.05 0.00 0.00 177.00 177.38 2a9m n GLY 49 N 3.71 1.08 4.02 0.56 0.00 -1.26 -4.99 105.19 108.31 2a9m n GLY 49 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.49 1.77 0.59 -0.02 0.00 -0.30 -5.12 107.32 101.75 2a9m s GLY 50 Ca 0.00 -1.96 0.03 0.00 0.00 0.00 0.00 44.72 42.79 2a9m s GLY 50 CO 0.00 -1.52 0.82 -0.32 0.00 0.00 0.00 173.10 172.08 2a9m s GLY 51 N -4.63 1.80 0.29 0.20 0.00 -1.26 -4.78 107.32 98.95 2a9m s GLY 51 Ca 0.62 -1.67 -0.29 0.00 0.00 0.00 0.00 44.72 43.38 2a9m s GLY 51 CO 0.39 -1.27 1.11 1.08 0.00 0.00 0.00 173.10 174.41 2a9m s LEU 52 N -4.82 4.51 -0.11 0.66 1.02 -1.26 -4.36 118.68 114.31 2a9m s LEU 52 Ca 0.61 2.28 -0.04 0.00 0.02 0.00 0.00 54.13 57.00 2a9m s LEU 52 Cb -0.08 -3.68 0.06 0.00 0.02 0.00 0.00 46.19 42.51 2a9m s LEU 52 CO 0.40 -0.20 0.16 -0.70 0.02 0.00 0.00 176.35 176.03 2a9m s GLU 53 N -1.57 0.06 0.29 1.70 2.12 -0.31 -4.99 118.70 116.00 2a9m s GLU 53 Ca 0.46 0.43 -0.29 0.00 0.36 0.00 0.00 54.97 55.93 2a9m s GLU 53 Cb -0.32 -0.59 -0.10 0.00 0.26 0.00 0.00 34.13 33.38 2a9m s GLU 53 CO 0.41 -0.40 1.31 -0.46 -0.54 0.00 0.00 175.26 175.57 2a9m s TRP 54 N 2.28 3.12 0.00 5.30 -0.00 -1.26 -0.24 118.94 128.13 2a9m s TRP 54 Ca 0.04 1.34 0.00 0.00 -0.00 0.00 0.00 56.10 57.48 2a9m s TRP 54 Cb -0.13 -3.66 0.00 0.00 -0.00 0.00 0.00 33.47 29.68 2a9m s TRP 54 CO -0.07 -1.89 0.00 0.28 -0.00 0.00 0.00 176.95 175.27 2a9m n VAL 55 N 1.40 0.00 -3.45 5.86 0.31 -0.30 -4.77 118.33 117.38 2a9m n VAL 55 Ca 0.02 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.24 2a9m n VAL 55 Cb 0.42 -0.61 -0.02 0.00 -0.91 0.00 0.00 33.84 32.72 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 -1.60 0.11 3.52 0.00 -1.09 -0.99 121.76 119.91 2a9m s ALA 56 Ca 0.00 0.48 -0.16 0.00 0.00 0.00 0.00 51.96 52.29 2a9m s ALA 56 Cb 0.00 0.85 0.03 0.00 0.00 0.00 0.00 23.12 24.00 2a9m s ALA 56 CO 0.00 -0.78 0.38 0.20 0.00 0.00 0.00 175.76 175.56 2a9m s GLY 57 N -2.74 -0.24 -0.04 0.00 0.00 -0.14 -0.32 107.32 103.83 2a9m s GLY 57 Ca 0.02 -0.04 0.02 0.00 0.00 0.00 0.00 44.72 44.73 2a9m s GLY 57 CO -0.12 -0.29 -0.09 -2.27 0.00 0.00 0.00 173.10 170.33 2a9m s LEU 58 N -2.67 1.68 0.73 0.66 0.20 -0.65 -1.66 118.68 116.98 2a9m s LEU 58 Ca 0.02 -0.20 -0.11 0.00 0.69 0.00 0.00 54.13 54.52 2a9m s LEU 58 Cb 0.02 -0.60 0.03 0.00 -0.43 0.00 0.00 46.19 45.21 2a9m s LEU 58 CO -0.10 0.04 1.12 -0.94 -0.29 0.00 0.00 176.35 176.18 2a9m s SER 59 N 0.40 5.16 -0.08 3.68 1.04 -0.26 -1.38 113.70 122.26 2a9m s SER 59 Ca -0.07 1.01 -0.06 0.00 0.48 0.00 0.00 55.95 57.31 2a9m s SER 59 Cb -0.11 -1.72 -0.04 0.00 0.10 0.00 0.00 66.02 64.26 2a9m s SER 59 CO 0.01 -1.51 0.23 0.00 0.98 0.00 0.00 173.24 172.95 2a9m h ALA 60 N -0.77 -0.18 0.31 5.32 0.00 -1.82 -3.43 119.26 118.70 2a9m h ALA 60 Ca -0.45 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 2a9m h ALA 60 Cb 1.28 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2a9m h ALA 60 CO 0.64 -0.17 -0.15 0.00 0.00 0.00 0.00 179.25 179.58 2a9m h ARG 61 N -1.04 -0.41 0.00 0.00 3.08 -1.87 -3.45 114.38 110.69 2a9m h ARG 61 Ca -0.02 0.03 -0.51 0.00 0.07 0.00 0.00 59.98 59.55 2a9m h ARG 61 Cb 0.16 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2a9m h ARG 61 CO 0.03 -0.08 -0.16 -1.13 -1.07 0.00 0.00 179.97 177.56 2a9m n SER 65 N -5.11 2.36 -2.97 7.04 3.41 -1.26 -5.04 113.62 112.05 2a9m n SER 65 Ca -0.09 -2.66 -0.40 0.00 -0.26 0.00 0.00 58.87 55.46 2a9m n SER 65 Cb 0.27 -0.23 0.04 0.00 -0.26 0.00 0.00 64.21 64.02 2a9m n SER 65 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2a9m n SER 66 N -2.10 7.52 -4.70 4.04 7.64 -1.26 -4.47 113.62 120.28 2a9m n SER 66 Ca 0.07 -3.82 -0.42 0.00 1.01 0.00 0.00 58.87 55.71 2a9m n SER 66 Cb 0.59 -1.08 -0.03 0.00 -1.01 0.00 0.00 64.21 62.69 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 -4.08 4.32 0.18 -3.43 1.43 -1.26 -4.89 118.68 110.95 2a9m s LEU 67 Ca 0.51 1.74 0.09 0.00 -1.03 0.00 0.00 54.13 55.45 2a9m s LEU 67 Cb 0.42 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.03 2a9m s LEU 67 CO -0.40 -0.43 -0.12 0.42 0.23 0.00 0.00 176.35 176.06 2a9m s THR 68 N 1.55 3.04 0.03 5.49 -4.23 -1.26 -1.10 115.64 119.15 2a9m s THR 68 Ca 0.54 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 59.32 2a9m s THR 68 Cb -0.23 -2.50 -0.02 0.00 1.34 0.00 0.00 72.50 71.09 2a9m s THR 68 CO 0.24 -0.11 -0.04 -1.00 -0.54 0.00 0.00 174.62 173.17 2a9m s HIS 69 N -1.70 0.38 0.02 3.99 0.09 -0.67 -4.99 115.29 112.41 2a9m s HIS 69 Ca 0.24 -0.61 0.01 0.00 -0.00 0.00 0.00 55.06 54.70 2a9m s HIS 69 Cb -0.09 -0.26 -0.02 0.00 -0.00 0.00 0.00 32.58 32.22 2a9m s HIS 69 CO 0.14 -0.20 -0.04 0.71 -0.00 0.00 0.00 174.74 175.35 2a9m s TYR 70 N -1.86 0.35 0.56 1.40 1.51 -1.26 -0.97 117.35 117.08 2a9m s TYR 70 Ca -0.11 -0.39 -0.18 0.00 -1.01 0.00 0.00 57.07 55.38 2a9m s TYR 70 Cb -0.07 -0.23 -0.05 0.00 -0.11 0.00 0.00 41.96 41.50 2a9m s TYR 70 CO -0.02 -0.11 1.08 0.00 -1.11 0.00 0.00 175.55 175.38 2a9m s ALA 71 N -1.05 2.74 0.26 3.71 0.00 -0.16 -4.76 121.76 122.49 2a9m s ALA 71 Ca -0.10 0.58 -0.02 0.00 0.00 0.00 0.00 51.96 52.43 2a9m s ALA 71 Cb -0.07 -3.28 0.50 0.00 0.00 0.00 0.00 23.12 20.26 2a9m s ALA 71 CO -0.00 -0.70 1.77 -0.44 0.00 0.00 0.00 175.76 176.38 2a9m h ASP 72 N 0.92 0.53 0.08 0.00 5.19 -1.95 0.12 116.42 121.31 2a9m h ASP 72 Ca -0.48 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.01 2a9m h ASP 72 Cb 1.23 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.74 2a9m h ASP 72 CO 0.57 0.24 0.00 0.77 -3.12 0.00 0.00 179.24 177.70 2a9m h SER 73 N 0.63 0.00 0.00 6.45 4.64 -1.96 -3.13 113.55 120.18 2a9m h SER 73 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 2a9m h SER 73 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2a9m h SER 73 CO -0.34 0.00 -0.57 0.52 -0.87 0.00 0.00 176.83 175.57 2a9m n VAL 74 N -2.76 0.00 -1.94 0.95 0.31 -0.49 -5.05 118.33 109.36 2a9m n VAL 74 Ca -0.02 -0.11 -0.41 0.00 -0.01 0.00 0.00 64.34 63.79 2a9m n VAL 74 Cb 0.08 0.56 -0.02 0.00 -0.91 0.00 0.00 33.84 33.54 2a9m n VAL 74 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2a9m s LYS 75 N -1.35 4.22 0.00 5.55 2.20 0.30 -2.25 119.74 128.40 2a9m s LYS 75 Ca 0.00 2.39 0.00 0.00 -0.36 0.00 0.00 55.97 58.00 2a9m s LYS 75 Cb 0.00 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 2a9m s LYS 75 CO 0.00 -0.50 0.00 0.41 -0.36 0.00 0.00 175.35 174.90 2a9m n GLY 76 N 2.38 1.06 0.00 5.54 0.00 -1.26 -4.82 105.19 108.09 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 2.85 -3.96 1.61 1.74 -0.96 -5.05 116.66 110.89 2a9m n ARG 77 Ca 0.00 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 2a9m n ARG 77 Cb 0.00 -0.94 -0.05 0.00 -1.02 0.00 0.00 32.46 30.45 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 -1.88 3.43 -0.05 -1.55 0.40 -1.08 -1.50 117.98 115.75 2a9m s PHE 78 Ca 0.00 0.22 -0.02 0.00 -0.60 0.00 0.00 56.93 56.53 2a9m s PHE 78 Cb 0.00 -1.73 0.03 0.00 0.51 0.00 0.00 43.02 41.83 2a9m s PHE 78 CO 0.00 0.58 0.11 -0.08 0.70 0.00 0.00 175.22 176.53 2a9m s THR 79 N -1.44 -0.05 -0.04 0.64 -1.32 0.03 -4.93 115.64 108.54 2a9m s THR 79 Ca 0.32 0.19 -0.09 0.00 -1.21 0.00 0.00 61.69 60.89 2a9m s THR 79 Cb -0.13 -0.19 -0.05 0.00 -1.51 0.00 0.00 72.50 70.63 2a9m s THR 79 CO 0.24 0.08 0.27 -0.63 -2.21 0.00 0.00 174.62 172.37 2a9m s ILE 80 N 1.10 5.29 0.03 5.08 1.01 -1.26 -0.68 121.20 131.77 2a9m s ILE 80 Ca -0.09 0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.95 2a9m s ILE 80 Cb -0.12 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 2a9m s ILE 80 CO -0.05 0.51 -0.05 -0.94 0.00 0.00 0.00 174.94 174.42 2a9m s SER 81 N -1.30 0.44 0.06 3.58 1.04 -0.59 -4.99 113.70 111.94 2a9m s SER 81 Ca 0.22 -0.53 0.05 0.00 0.48 0.00 0.00 55.95 56.17 2a9m s SER 81 Cb -0.14 0.08 -0.04 0.00 0.10 0.00 0.00 66.02 66.03 2a9m s SER 81 CO 0.11 -0.28 -0.05 0.00 0.98 0.00 0.00 173.24 174.00 2a9m s ARG 82 N -1.56 2.45 -0.31 4.02 1.70 -1.26 -0.82 118.95 123.16 2a9m s ARG 82 Ca -0.13 -0.83 0.02 0.00 -0.47 0.00 0.00 55.73 54.31 2a9m s ARG 82 Cb -0.10 -2.47 0.09 0.00 -0.57 0.00 0.00 34.95 31.91 2a9m s ARG 82 CO -0.01 0.56 0.05 0.34 -1.08 0.00 0.00 175.30 175.16 2a9m s ASP 83 N -1.90 4.35 0.24 -2.89 3.68 -0.03 -4.99 116.67 115.12 2a9m s ASP 83 Ca 0.21 -1.79 -0.05 0.00 2.13 0.00 0.00 52.55 53.05 2a9m s ASP 83 Cb -0.11 -1.28 0.25 0.00 -1.45 0.00 0.00 42.92 40.32 2a9m s ASP 83 CO 0.13 -0.36 1.75 0.78 0.13 0.00 0.00 175.17 177.59 2a9m h ASN 84 N 7.84 0.92 -0.81 -0.34 -0.26 -1.96 0.53 115.58 121.49 2a9m h ASN 84 Ca -0.10 -0.20 -0.01 0.00 -0.56 0.00 0.00 56.30 55.43 2a9m h ASN 84 Cb 1.03 -0.24 -0.04 0.00 -1.06 0.00 0.00 38.32 38.01 2a9m h ASN 84 CO 0.48 0.91 0.48 0.00 -1.06 0.00 0.00 177.43 178.24 2a9m h ALA 85 N 1.20 1.30 -0.01 -0.83 0.00 -1.95 -2.33 119.26 116.63 2a9m h ALA 85 Ca 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2a9m h ALA 85 Cb 0.38 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2a9m h ALA 85 CO 0.01 0.59 -0.28 1.63 0.00 0.00 0.00 179.25 181.20 2a9m n LYS 86 N -4.36 1.16 -3.59 0.00 5.02 -1.16 -4.98 118.16 110.24 2a9m n LYS 86 Ca 0.09 -0.81 -0.20 0.00 -2.02 0.00 0.00 58.31 55.37 2a9m n LYS 86 Cb 0.08 -1.48 0.06 0.00 -0.02 0.00 0.00 35.03 33.67 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 -0.22 -2.42 -4.04 4.39 5.15 0.10 -4.78 115.26 113.43 2a9m n ASN 87 Ca 0.12 -0.70 -0.10 0.00 -0.60 0.00 0.00 54.58 53.31 2a9m n ASN 87 Cb 0.40 -4.63 -0.06 0.00 -0.53 0.00 0.00 39.78 34.96 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 -4.16 -0.04 0.01 1.20 1.04 -0.70 -1.70 113.70 109.36 2a9m s SER 88 Ca 0.12 -1.02 0.03 0.00 0.48 0.00 0.00 55.95 55.56 2a9m s SER 88 Cb -0.06 0.54 -0.01 0.00 0.10 0.00 0.00 66.02 66.59 2a9m s SER 88 CO 0.77 -1.07 -0.11 -0.69 0.98 0.00 0.00 173.24 173.12 2a9m s VAL 89 N -4.05 0.85 0.11 5.02 1.01 -0.39 -0.85 120.40 122.10 2a9m s VAL 89 Ca 0.26 -0.64 0.10 0.00 0.00 0.00 0.00 61.98 61.69 2a9m s VAL 89 Cb 0.01 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 2a9m s VAL 89 CO 0.09 0.10 -0.22 -0.31 0.00 0.00 0.00 175.10 174.76 2a9m s TYR 90 N -0.51 2.43 -0.28 5.22 2.02 -0.00 -0.20 117.35 126.03 2a9m s TYR 90 Ca 0.02 -0.32 0.03 0.00 -0.37 0.00 0.00 57.07 56.43 2a9m s TYR 90 Cb -0.05 -1.32 0.07 0.00 -0.40 0.00 0.00 41.96 40.26 2a9m s TYR 90 CO 0.00 0.34 -0.05 -1.17 -1.57 0.00 0.00 175.55 173.10 2a9m s LEU 91 N -1.97 3.74 -0.23 -1.29 2.96 0.39 -1.54 118.68 120.74 2a9m s LEU 91 Ca 0.16 -1.63 -0.24 0.00 -0.22 0.00 0.00 54.13 52.19 2a9m s LEU 91 Cb -0.10 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.07 2a9m s LEU 91 CO 0.07 -0.26 0.81 -1.58 -1.32 0.00 0.00 176.35 174.07 2a9m s GLN 92 N 1.08 4.19 -0.23 1.98 2.00 0.15 -0.75 119.66 128.08 2a9m s GLN 92 Ca -0.02 0.91 -0.04 0.00 -2.00 0.00 0.00 55.36 54.22 2a9m s GLN 92 Cb -0.19 -3.64 -0.00 0.00 0.80 0.00 0.00 33.01 29.98 2a9m s GLN 92 CO -0.07 -0.48 -0.03 -1.64 -0.50 0.00 0.00 175.29 172.57 2a9m s MET 93 N 2.71 3.27 0.27 1.67 -1.94 0.90 -0.79 119.30 125.39 2a9m s MET 93 Ca 0.34 -0.70 0.11 0.00 -1.71 0.00 0.00 55.69 53.73 2a9m s MET 93 Cb -0.15 -3.04 -0.05 0.00 2.01 0.00 0.00 34.83 33.60 2a9m s MET 93 CO 0.08 -0.25 -0.08 -0.80 -0.01 0.00 0.00 175.02 173.96 2a9m s ASN 94 N 1.46 4.16 -1.34 3.03 0.01 -0.56 -1.17 114.94 120.52 2a9m s ASN 94 Ca 0.05 -0.80 -0.07 0.00 -0.71 0.00 0.00 52.86 51.33 2a9m s ASN 94 Cb -0.15 -0.63 0.00 0.00 0.41 0.00 0.00 41.25 40.89 2a9m s ASN 94 CO -0.03 0.02 0.50 -1.20 -1.51 0.00 0.00 177.10 174.88 2a9m n SER 95 N -0.77 -1.55 -4.77 -1.22 7.64 -1.11 -4.72 113.62 107.12 2a9m n SER 95 Ca -0.06 -1.04 -0.40 0.00 1.01 0.00 0.00 58.87 58.38 2a9m n SER 95 Cb 0.59 -2.99 -0.02 0.00 -1.01 0.00 0.00 64.21 60.78 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 -6.90 4.37 0.21 -3.43 1.43 -0.33 -4.61 118.68 109.41 2a9m s LEU 96 Ca 0.13 2.63 0.07 0.00 -1.03 0.00 0.00 54.13 55.93 2a9m s LEU 96 Cb -0.05 -3.73 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 2a9m s LEU 96 CO 0.89 -0.59 0.10 -0.13 0.23 0.00 0.00 176.35 176.85 2a9m s ARG 97 N -1.91 2.70 0.32 1.70 0.52 -1.26 0.45 118.95 121.47 2a9m s ARG 97 Ca 0.51 -1.07 0.09 0.00 -0.52 0.00 0.00 55.73 54.75 2a9m s ARG 97 Cb -0.38 -2.48 0.87 0.00 0.52 0.00 0.00 34.95 33.48 2a9m s ARG 97 CO 0.50 0.43 1.74 0.28 0.02 0.00 0.00 175.30 178.28 2a9m h VAL 98 N 1.95 0.57 0.00 3.52 2.07 -1.97 -0.46 116.25 121.92 2a9m h VAL 98 Ca -0.47 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 66.84 2a9m h VAL 98 Cb 1.22 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2a9m h VAL 98 CO 0.61 0.11 0.00 -0.62 0.02 0.00 0.00 177.57 177.69 2a9m n GLU 99 N -4.85 0.35 0.00 1.57 4.71 -1.26 -1.65 120.64 119.51 2a9m n GLU 99 Ca 0.26 0.08 0.14 0.00 -0.01 0.00 0.00 57.16 57.63 2a9m n GLU 99 Cb 0.72 -1.50 0.52 0.00 -1.01 0.00 0.00 31.44 30.17 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 -1.23 0.56 -4.65 1.62 10.43 -0.18 -4.89 116.55 118.21 2a9m n ASP 100 Ca 0.10 -0.52 -0.43 0.00 2.57 0.00 0.00 54.79 56.51 2a9m n ASP 100 Cb 0.14 -0.03 -0.03 0.00 1.84 0.00 0.00 41.12 43.04 2a9m n ASP 100 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 2a9m n THR 101 N -0.99 0.66 -3.60 -3.53 -1.04 -0.66 -4.89 114.28 100.24 2a9m n THR 101 Ca 0.12 -0.21 -0.04 0.00 -2.04 0.00 0.00 64.05 61.89 2a9m n THR 101 Cb 0.30 -2.34 -0.02 0.00 -1.82 0.00 0.00 70.33 66.46 2a9m n THR 101 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2a9m s ALA 102 N 5.32 -2.02 -0.11 2.41 0.00 -0.56 -4.61 121.76 122.19 2a9m s ALA 102 Ca 0.92 1.16 -0.29 0.00 0.00 0.00 0.00 51.96 53.75 2a9m s ALA 102 Cb -0.44 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.83 2a9m s ALA 102 CO 0.41 -0.75 0.96 0.08 0.00 0.00 0.00 175.76 176.46 2a9m s VAL 103 N -2.63 4.82 -0.22 0.00 1.01 -0.78 -0.23 120.40 122.36 2a9m s VAL 103 Ca 0.10 1.95 -0.08 0.00 0.00 0.00 0.00 61.98 63.95 2a9m s VAL 103 Cb 0.00 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 2a9m s VAL 103 CO -0.05 0.03 0.10 -0.31 0.00 0.00 0.00 175.10 174.87 2a9m s TYR 104 N 1.91 3.21 -0.05 5.22 1.51 0.19 -1.26 117.35 128.08 2a9m s TYR 104 Ca 0.46 -0.03 -0.01 0.00 -1.01 0.00 0.00 57.07 56.49 2a9m s TYR 104 Cb -0.18 -2.19 -0.03 0.00 -0.11 0.00 0.00 41.96 39.45 2a9m s TYR 104 CO 0.18 -0.03 0.01 0.71 -1.11 0.00 0.00 175.55 175.31 2a9m s TYR 105 N 0.98 3.16 0.11 2.71 1.51 0.11 -1.78 117.35 124.14 2a9m s TYR 105 Ca 0.05 0.17 0.04 0.00 -1.01 0.00 0.00 57.07 56.32 2a9m s TYR 105 Cb -0.14 -1.75 -0.04 0.00 -0.11 0.00 0.00 41.96 39.93 2a9m s TYR 105 CO 0.03 0.48 0.06 0.00 -1.11 0.00 0.00 175.55 175.02 2a9m s ALA 107 N -1.48 -0.95 -0.01 0.00 0.00 -0.04 0.05 121.76 119.33 2a9m s ALA 107 Ca 0.28 0.73 -0.24 0.00 0.00 0.00 0.00 51.96 52.73 2a9m s ALA 107 Cb -0.11 -0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.74 2a9m s ALA 107 CO 0.21 -0.24 0.74 0.50 0.00 0.00 0.00 175.76 176.97 2a9m s ARG 108 N -0.70 4.46 0.13 0.00 3.52 0.11 -0.81 118.95 125.65 2a9m s ARG 108 Ca -0.08 0.99 -0.24 0.00 -0.13 0.00 0.00 55.73 56.26 2a9m s ARG 108 Cb -0.04 -3.40 -0.07 0.00 -1.56 0.00 0.00 34.95 29.88 2a9m s ARG 108 CO 0.03 0.19 0.74 1.03 -0.81 0.00 0.00 175.30 176.48 2a9m s ARG 109 N 0.33 4.50 1.01 5.12 0.52 -0.30 -0.12 118.95 130.01 2a9m s ARG 109 Ca 0.38 1.08 -0.15 0.00 -0.52 0.00 0.00 55.73 56.52 2a9m s ARG 109 Cb -0.19 -3.28 0.06 0.00 0.52 0.00 0.00 34.95 32.05 2a9m s ARG 109 CO 0.21 0.52 0.26 -1.13 0.02 0.00 0.00 175.30 175.17 2a9m n SER 110 N 1.88 -2.24 0.07 0.23 3.41 -0.91 -4.30 113.62 111.75 2a9m n SER 110 Ca -0.06 0.18 -0.12 0.00 -0.26 0.00 0.00 58.87 58.61 2a9m n SER 110 Cb 0.49 -1.12 -0.05 0.00 -0.26 0.00 0.00 64.21 63.27 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 -1.73 -0.92 -0.77 7.33 -0.00 -1.94 -1.98 116.97 116.97 2a9m h TYR 111 Ca -0.47 0.03 0.09 0.00 -0.00 0.00 0.00 58.73 58.38 2a9m h TYR 111 Cb 1.31 0.40 -0.07 0.00 -0.00 0.00 0.00 36.73 38.37 2a9m h TYR 111 CO 0.31 -0.43 0.43 0.38 -0.00 0.00 0.00 178.16 178.85 2a9m h ASP 112 N -0.50 0.60 0.23 0.10 2.03 -1.99 -1.54 116.42 115.36 2a9m h ASP 112 Ca 0.06 0.05 0.00 0.00 -0.73 0.00 0.00 57.03 56.40 2a9m h ASP 112 Cb 0.58 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 39.01 2a9m h ASP 112 CO -0.27 0.35 0.00 -1.20 -1.03 0.00 0.00 179.24 177.10 2a9m n SER 113 N -4.78 0.27 -0.35 4.15 7.64 -0.96 -2.62 113.62 116.97 2a9m n SER 113 Ca 0.12 0.60 0.10 0.00 1.01 0.00 0.00 58.87 60.70 2a9m n SER 113 Cb 0.26 -0.64 -0.03 0.00 -1.01 0.00 0.00 64.21 62.78 2a9m n SER 113 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2a9m n SER 114 N -1.83 1.67 -1.86 6.43 7.64 -0.58 -4.39 113.62 120.69 2a9m n SER 114 Ca 0.01 -1.33 0.00 0.00 1.01 0.00 0.00 58.87 58.55 2a9m n SER 114 Cb 0.08 0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.89 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 1.36 0.50 0.26 0.23 0.00 -1.08 -4.63 105.19 101.83 2a9m n GLY 115 Ca 0.07 -1.89 0.15 0.00 0.00 0.00 0.00 46.02 44.35 2a9m n GLY 115 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2a9m h TYR 116 N -0.36 0.00 -0.67 1.61 0.05 -1.94 -1.68 116.97 113.98 2a9m h TYR 116 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2a9m h TYR 116 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2a9m h TYR 116 CO 0.00 0.09 0.00 0.91 -1.05 0.00 0.00 178.16 178.11 2a9m n TRP 129 N -3.27 1.38 -0.32 4.88 8.01 -1.26 -4.72 117.44 122.14 2a9m n TRP 129 Ca -0.00 -0.59 0.13 0.00 -1.31 0.00 0.00 57.50 55.73 2a9m n TRP 129 Cb 0.31 -0.19 0.32 0.00 -2.01 0.00 0.00 31.31 29.74 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 4.13 1.66 1.44 6.99 0.00 -1.38 -1.29 103.07 114.62 2a9m h GLY 130 Ca 0.00 -0.25 0.05 0.00 0.00 0.00 0.00 47.33 47.13 2a9m h GLY 130 CO 0.18 -0.19 0.26 1.12 0.00 0.00 0.00 176.54 177.91 2a9m h HIS 131 N 0.55 0.28 -0.10 5.60 2.07 -1.84 0.36 115.15 122.07 2a9m h HIS 131 Ca 0.57 0.01 -0.01 0.00 -2.85 0.00 0.00 60.37 58.09 2a9m h HIS 131 Cb 1.02 -0.09 -0.00 0.00 2.57 0.00 0.00 27.41 30.90 2a9m h HIS 131 CO -0.07 0.15 0.03 0.74 -3.07 0.00 0.00 177.93 175.71 2a9m h PHE 132 N 0.28 0.17 0.06 6.12 0.04 -1.61 -3.26 116.94 118.74 2a9m h PHE 132 Ca 0.16 -0.02 -0.24 0.00 2.80 0.00 0.00 57.97 60.68 2a9m h PHE 132 Cb 0.30 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 2a9m h PHE 132 CO -0.00 0.32 -1.07 1.88 -0.60 0.00 0.00 178.31 178.84 2a9m h TYR 133 N -0.03 0.34 0.00 -0.55 -1.99 -1.49 -3.49 116.97 109.76 2a9m h TYR 133 Ca 0.03 -0.22 0.00 0.00 2.00 0.00 0.00 58.73 60.54 2a9m h TYR 133 Cb 0.24 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 38.94 2a9m h TYR 133 CO 0.00 1.13 0.00 -1.13 -0.00 0.00 0.00 178.16 178.16 2a9m n SER 134 N -3.54 0.00 -3.95 3.88 3.41 0.12 -4.94 113.62 108.60 2a9m n SER 134 Ca -0.05 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.46 2a9m n SER 134 Cb 0.93 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.82 2a9m n SER 134 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2a9m s TYR 135 N 0.00 0.38 -0.18 7.33 -0.85 -1.26 -5.08 117.35 117.68 2a9m s TYR 135 Ca 0.00 -0.73 0.00 0.00 -0.52 0.00 0.00 57.07 55.82 2a9m s TYR 135 Cb 0.00 0.00 0.01 0.00 0.38 0.00 0.00 41.96 42.35 2a9m s TYR 135 CO 0.00 -0.78 -0.17 -1.64 -1.52 0.00 0.00 175.55 171.44 2a9m s MET 136 N -3.97 3.09 -0.21 -3.49 -1.94 -1.26 -2.14 119.30 109.38 2a9m s MET 136 Ca 0.18 -0.79 -0.20 0.00 -1.71 0.00 0.00 55.69 53.18 2a9m s MET 136 Cb 0.02 -2.64 -0.17 0.00 2.01 0.00 0.00 34.83 34.06 2a9m s MET 136 CO 0.02 -0.15 0.14 -0.25 -0.01 0.00 0.00 175.02 174.77 2a9m n ASP 137 N 4.50 1.86 -4.14 3.03 10.43 0.83 -4.89 116.55 128.18 2a9m n ASP 137 Ca -0.20 0.44 -0.29 0.00 2.57 0.00 0.00 54.79 57.31 2a9m n ASP 137 Cb 0.51 -0.95 -0.17 0.00 1.84 0.00 0.00 41.12 42.35 2a9m n ASP 137 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2a9m s VAL 138 N -2.36 1.68 -0.06 2.53 1.01 -1.25 -4.99 120.40 116.97 2a9m s VAL 138 Ca -0.28 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 60.95 2a9m s VAL 138 Cb 0.06 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 2a9m s VAL 138 CO 0.55 0.48 -0.21 0.26 0.00 0.00 0.00 175.10 176.17 2a9m s TRP 139 N 0.46 2.53 0.89 5.22 0.52 -1.26 -0.71 118.94 126.59 2a9m s TRP 139 Ca -0.17 -0.54 -0.11 0.00 0.02 0.00 0.00 56.10 55.30 2a9m s TRP 139 Cb -0.17 -1.62 0.13 0.00 -1.15 0.00 0.00 33.47 30.66 2a9m s TRP 139 CO 0.07 -0.09 1.09 0.20 0.02 0.00 0.00 176.95 178.24 2a9m s GLY 140 N -0.31 1.62 0.00 0.98 0.00 0.11 -4.48 107.32 105.24 2a9m s GLY 140 Ca 0.01 -0.05 0.28 0.00 0.00 0.00 0.00 44.72 44.96 2a9m s GLY 140 CO 0.02 0.43 1.82 0.61 0.00 0.00 0.00 173.10 175.99 2a9m n GLN 141 N -3.87 0.69 0.00 2.90 -0.00 -1.26 -4.75 117.38 111.08 2a9m n GLN 141 Ca 0.07 -0.26 0.00 0.00 -0.00 0.00 0.00 57.00 56.81 2a9m n GLN 141 Cb 0.55 -1.49 0.00 0.00 -0.00 0.00 0.00 30.24 29.30 2a9m n GLN 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2a9m n GLY 142 N 1.29 0.32 3.07 2.61 0.00 -1.26 -5.03 105.19 106.18 2a9m n GLY 142 Ca 0.14 -1.54 -0.20 0.00 0.00 0.00 0.00 46.02 44.42 2a9m n GLY 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2a9m s THR 143 N -2.42 0.90 -0.22 2.61 -4.23 -0.73 -4.85 115.64 106.69 2a9m s THR 143 Ca 0.00 -0.59 -0.17 0.00 -1.18 0.00 0.00 61.69 59.75 2a9m s THR 143 Cb 0.00 -0.77 -0.03 0.00 1.34 0.00 0.00 72.50 73.03 2a9m s THR 143 CO 0.00 0.18 0.47 -0.22 -0.54 0.00 0.00 174.62 174.51 2a9m s LEU 144 N -0.46 4.12 -0.28 4.79 0.20 -1.26 -0.64 118.68 125.15 2a9m s LEU 144 Ca 0.03 0.56 -0.09 0.00 0.69 0.00 0.00 54.13 55.33 2a9m s LEU 144 Cb -0.05 -2.62 -0.02 0.00 -0.43 0.00 0.00 46.19 43.07 2a9m s LEU 144 CO -0.00 -0.18 0.11 -0.69 -0.29 0.00 0.00 176.35 175.31 2a9m s VAL 145 N 1.73 4.49 -0.24 1.68 1.01 0.68 -2.40 120.40 127.34 2a9m s VAL 145 Ca 0.21 -0.29 -0.04 0.00 0.00 0.00 0.00 61.98 61.87 2a9m s VAL 145 Cb -0.15 -3.20 0.01 0.00 0.00 0.00 0.00 36.38 33.03 2a9m s VAL 145 CO 0.09 0.20 -0.03 -0.89 0.00 0.00 0.00 175.10 174.47 2a9m s THR 146 N 1.62 3.31 -0.30 3.92 2.01 -0.83 -1.49 115.64 123.86 2a9m s THR 146 Ca 0.05 -0.70 -0.05 0.00 0.31 0.00 0.00 61.69 61.30 2a9m s THR 146 Cb -0.16 -2.59 0.03 0.00 0.01 0.00 0.00 72.50 69.78 2a9m s THR 146 CO 0.05 0.29 0.06 -0.69 -0.69 0.00 0.00 174.62 173.64 2a9m s VAL 147 N 1.43 3.60 0.00 3.82 1.01 -1.26 -0.21 120.40 128.80 2a9m s VAL 147 Ca 0.03 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.01 2a9m s VAL 147 Cb -0.15 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.28 2a9m s VAL 147 CO -0.03 -0.02 0.00 -1.54 0.00 0.00 0.00 175.10 173.51