#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a38 s THR 2 N 0.00 4.36 -0.09 2.03 2.01 -1.26 -5.05 115.64 117.64 2a38 s THR 2 Ca 0.00 1.54 -0.09 0.00 0.31 0.00 0.00 61.69 63.45 2a38 s THR 2 Cb 0.00 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 2a38 s THR 2 CO 0.00 -0.25 0.20 0.42 -0.69 0.00 0.00 174.62 174.30 2a38 s THR 3 N -2.09 5.40 -0.05 -0.82 -4.23 -1.26 -4.79 115.64 107.80 2a38 s THR 3 Ca 0.60 0.34 -0.02 0.00 -1.18 0.00 0.00 61.69 61.44 2a38 s THR 3 Cb -0.11 -3.47 0.03 0.00 1.34 0.00 0.00 72.50 70.30 2a38 s THR 3 CO 0.15 0.61 0.10 -1.58 -0.54 0.00 0.00 174.62 173.36 2a38 s GLN 4 N -1.05 0.05 0.84 3.99 -0.44 -0.55 -4.95 119.66 117.54 2a38 s GLN 4 Ca 0.17 0.29 -0.12 0.00 -2.50 0.00 0.00 55.36 53.21 2a38 s GLN 4 Cb -0.13 -0.18 0.10 0.00 -1.64 0.00 0.00 33.01 31.16 2a38 s GLN 4 CO 0.06 -0.15 1.16 0.00 0.50 0.00 0.00 175.29 176.86 2a38 s ALA 5 N 1.05 1.76 0.58 1.58 0.00 -1.26 -1.56 121.76 123.91 2a38 s ALA 5 Ca -0.08 0.64 -0.18 0.00 0.00 0.00 0.00 51.96 52.34 2a38 s ALA 5 Cb -0.11 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 2a38 s ALA 5 CO -0.05 -2.39 1.11 -2.14 0.00 0.00 0.00 175.76 172.30 2a38 s PRO 6 N -4.46 3.19 0.06 0.00 0.02 -1.26 -4.58 135.00 127.97 2a38 s PRO 6 Ca 0.68 1.49 -0.13 0.00 0.02 0.00 0.00 61.00 63.07 2a38 s PRO 6 Cb -0.24 -1.99 0.02 0.00 0.02 0.00 0.00 34.50 32.30 2a38 s PRO 6 CO 0.54 -0.96 0.29 0.95 -0.33 0.00 0.00 177.00 177.50 2a38 s THR 7 N -2.02 0.09 -0.30 0.99 -4.23 -0.68 -4.51 115.64 104.98 2a38 s THR 7 Ca 0.70 -0.76 -0.12 0.00 -1.18 0.00 0.00 61.69 60.33 2a38 s THR 7 Cb -0.22 -1.04 -0.04 0.00 1.34 0.00 0.00 72.50 72.54 2a38 s THR 7 CO 0.32 -0.42 0.23 -0.36 -0.54 0.00 0.00 174.62 173.85 2a38 s PHE 8 N -2.97 3.22 -0.80 3.99 0.40 -1.26 -1.14 117.98 119.42 2a38 s PHE 8 Ca -0.02 0.04 0.27 0.00 -0.60 0.00 0.00 56.93 56.61 2a38 s PHE 8 Cb 0.01 -2.44 0.90 0.00 0.51 0.00 0.00 43.02 42.00 2a38 s PHE 8 CO -0.06 -0.24 1.79 0.25 0.70 0.00 0.00 175.22 177.66 2a38 n THR 9 N 5.09 0.42 -3.34 0.64 -2.24 0.10 -4.36 114.28 110.58 2a38 n THR 9 Ca -0.13 -0.20 -0.12 0.00 -2.27 0.00 0.00 64.05 61.32 2a38 n THR 9 Cb 0.51 -0.53 -0.07 0.00 -2.10 0.00 0.00 70.33 68.14 2a38 n THR 9 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2a38 s GLN 10 N -3.07 0.39 0.85 -0.78 -0.21 -1.17 -4.95 119.66 110.72 2a38 s GLN 10 Ca 0.11 -0.03 -0.11 0.00 0.02 0.00 0.00 55.36 55.35 2a38 s GLN 10 Cb 0.14 -0.46 0.10 0.00 1.00 0.00 0.00 33.01 33.80 2a38 s GLN 10 CO 0.59 -1.04 1.09 -1.25 -2.12 0.00 0.00 175.29 172.56 2a38 s PRO 11 N 2.41 1.64 0.41 2.91 0.04 -1.26 -0.91 135.00 140.24 2a38 s PRO 11 Ca 0.10 0.76 -0.26 0.00 0.04 0.00 0.00 61.00 61.63 2a38 s PRO 11 Cb -0.13 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.45 2a38 s PRO 11 CO -0.30 -1.96 1.36 1.28 0.04 0.00 0.00 177.00 177.42 2a38 n LEU 12 N -3.68 4.37 -4.56 -3.56 4.77 -1.26 -4.79 117.00 108.30 2a38 n LEU 12 Ca 0.07 1.15 -0.34 0.00 -0.03 0.00 0.00 56.01 56.87 2a38 n LEU 12 Cb 0.56 -1.55 -0.12 0.00 -2.33 0.00 0.00 43.42 39.98 2a38 n LEU 12 CO 0.56 -0.33 -0.39 -1.10 -1.33 0.00 0.00 177.39 174.79 2a38 s GLN 13 N -2.19 2.79 0.62 3.23 -1.52 -1.26 -4.75 119.66 116.58 2a38 s GLN 13 Ca 0.58 -0.57 -0.18 0.00 -1.95 0.00 0.00 55.36 53.24 2a38 s GLN 13 Cb -0.50 -2.58 -0.02 0.00 -0.22 0.00 0.00 33.01 29.69 2a38 s GLN 13 CO 0.60 0.62 1.24 -1.54 -0.25 0.00 0.00 175.29 175.96 2a38 s SER 14 N -0.70 4.91 -0.03 5.90 1.04 -1.26 -4.75 113.70 118.82 2a38 s SER 14 Ca 0.11 2.48 0.04 0.00 0.48 0.00 0.00 55.95 59.06 2a38 s SER 14 Cb -0.11 -2.61 -0.00 0.00 0.10 0.00 0.00 66.02 63.40 2a38 s SER 14 CO 0.02 -1.79 -0.16 0.54 0.98 0.00 0.00 173.24 172.83 2a38 s VAL 15 N -1.53 1.29 -0.19 5.02 0.11 -0.24 -4.95 120.40 119.91 2a38 s VAL 15 Ca 0.79 -0.65 -0.06 0.00 -2.93 0.00 0.00 61.98 59.12 2a38 s VAL 15 Cb -0.33 -1.10 -0.04 0.00 -1.53 0.00 0.00 36.38 33.38 2a38 s VAL 15 CO 0.36 0.37 0.04 -0.69 -3.33 0.00 0.00 175.10 171.85 2a38 s VAL 16 N -0.06 4.48 0.09 2.04 1.01 -1.26 -0.15 120.40 126.54 2a38 s VAL 16 Ca -0.01 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.85 2a38 s VAL 16 Cb -0.09 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 2a38 s VAL 16 CO 0.01 0.44 -0.06 0.54 0.00 0.00 0.00 175.10 176.03 2a38 s VAL 17 N 0.61 0.64 0.00 2.92 0.11 -0.15 -4.97 120.40 119.56 2a38 s VAL 17 Ca 0.02 -1.86 -0.20 0.00 -2.93 0.00 0.00 61.98 57.00 2a38 s VAL 17 Cb -0.13 -1.59 -0.05 0.00 -1.53 0.00 0.00 36.38 33.07 2a38 s VAL 17 CO 0.02 -0.85 0.58 -0.22 -3.33 0.00 0.00 175.10 171.30 2a38 s LEU 18 N -2.93 4.43 0.16 2.54 2.96 -1.26 0.25 118.68 124.82 2a38 s LEU 18 Ca 0.10 1.16 -0.34 0.00 -0.22 0.00 0.00 54.13 54.83 2a38 s LEU 18 Cb 0.04 -2.90 -0.15 0.00 0.50 0.00 0.00 46.19 43.68 2a38 s LEU 18 CO -0.05 0.13 1.35 1.21 -1.32 0.00 0.00 176.35 177.67 2a38 n GLU 19 N 2.60 1.53 -0.01 1.98 2.13 -0.04 -0.78 120.64 128.04 2a38 n GLU 19 Ca -0.07 0.55 0.00 0.00 0.66 0.00 0.00 57.16 58.29 2a38 n GLU 19 Cb 0.51 -2.18 0.00 0.00 0.27 0.00 0.00 31.44 30.04 2a38 n GLU 19 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2a38 n GLY 20 N 2.48 0.88 4.00 8.31 0.00 0.22 -4.99 105.19 116.11 2a38 n GLY 20 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 2a38 n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2a38 s SER 21 N -2.60 4.70 0.02 1.61 0.01 0.04 -4.44 113.70 113.04 2a38 s SER 21 Ca 0.00 -0.48 -0.17 0.00 1.31 0.00 0.00 55.95 56.61 2a38 s SER 21 Cb 0.00 -0.02 -0.06 0.00 0.21 0.00 0.00 66.02 66.15 2a38 s SER 21 CO 0.00 -1.60 0.47 -0.89 0.41 0.00 0.00 173.24 171.63 2a38 s THR 22 N -2.94 4.93 -0.02 1.44 2.01 -1.17 -0.17 115.64 119.73 2a38 s THR 22 Ca 0.64 0.99 0.06 0.00 0.31 0.00 0.00 61.69 63.68 2a38 s THR 22 Cb -0.06 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.65 2a38 s THR 22 CO 0.42 0.56 -0.20 0.00 -0.69 0.00 0.00 174.62 174.71 2a38 s ALA 23 N -1.00 1.67 -0.08 7.40 0.00 -0.69 -4.93 121.76 124.13 2a38 s ALA 23 Ca 0.26 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.38 2a38 s ALA 23 Cb -0.18 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.52 2a38 s ALA 23 CO 0.15 0.40 -0.12 0.99 0.00 0.00 0.00 175.76 177.18 2a38 s THR 24 N -0.42 1.17 0.03 0.00 2.01 -1.26 -0.11 115.64 117.06 2a38 s THR 24 Ca 0.06 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 61.59 2a38 s THR 24 Cb -0.08 -1.09 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 2a38 s THR 24 CO -0.00 0.37 0.09 -0.36 -0.69 0.00 0.00 174.62 174.02 2a38 s PHE 25 N 0.83 3.27 -0.04 4.92 0.40 0.10 -4.95 117.98 122.50 2a38 s PHE 25 Ca -0.11 0.16 -0.12 0.00 -0.60 0.00 0.00 56.93 56.26 2a38 s PHE 25 Cb -0.15 -1.70 0.02 0.00 0.51 0.00 0.00 43.02 41.70 2a38 s PHE 25 CO 0.02 0.54 0.28 -2.00 0.70 0.00 0.00 175.22 174.76 2a38 s GLU 26 N -2.00 0.54 0.06 0.44 2.12 -1.26 -1.30 118.70 117.29 2a38 s GLU 26 Ca 0.26 -0.02 -0.10 0.00 0.36 0.00 0.00 54.97 55.46 2a38 s GLU 26 Cb -0.12 0.24 0.01 0.00 0.26 0.00 0.00 34.13 34.52 2a38 s GLU 26 CO 0.17 -0.13 0.23 0.00 -0.54 0.00 0.00 175.26 174.99 2a38 s ALA 27 N -0.84 -0.41 -0.13 6.30 0.00 -0.43 -4.25 121.76 122.00 2a38 s ALA 27 Ca -0.09 -0.32 0.01 0.00 0.00 0.00 0.00 51.96 51.56 2a38 s ALA 27 Cb -0.05 0.38 -0.01 0.00 0.00 0.00 0.00 23.12 23.44 2a38 s ALA 27 CO 0.03 -0.43 -0.16 -1.01 0.00 0.00 0.00 175.76 174.18 2a38 s HIS 28 N -3.04 2.74 0.00 0.00 3.76 -0.09 -1.10 115.29 117.56 2a38 s HIS 28 Ca -0.01 -0.83 0.06 0.00 -0.15 0.00 0.00 55.06 54.12 2a38 s HIS 28 Cb 0.01 -1.82 -0.03 0.00 1.11 0.00 0.00 32.58 31.85 2a38 s HIS 28 CO -0.06 -0.32 -0.16 0.42 -0.85 0.00 0.00 174.74 173.76 2a38 s ILE 29 N 0.45 2.93 0.09 0.60 1.01 0.16 -0.73 121.20 125.72 2a38 s ILE 29 Ca -0.12 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 59.59 2a38 s ILE 29 Cb -0.16 -2.20 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 2a38 s ILE 29 CO 0.05 0.44 -0.12 -0.94 0.00 0.00 0.00 174.94 174.38 2a38 s SER 30 N -1.16 1.57 0.00 3.58 1.04 -0.29 -4.59 113.70 113.85 2a38 s SER 30 Ca 0.14 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 55.81 2a38 s SER 30 Cb -0.11 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.00 2a38 s SER 30 CO 0.04 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.67 2a38 n GLY 31 N 0.76 1.66 3.64 7.32 0.00 -1.26 -1.69 105.19 115.63 2a38 n GLY 31 Ca -0.17 -1.34 -0.06 0.00 0.00 0.00 0.00 46.02 44.44 2a38 n GLY 31 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2a38 s PHE 32 N -1.92 -1.10 1.07 1.61 5.36 -0.60 -4.13 117.98 118.27 2a38 s PHE 32 Ca 0.00 2.13 -0.12 0.00 -0.96 0.00 0.00 56.93 57.98 2a38 s PHE 32 Cb 0.00 0.66 0.20 0.00 -0.34 0.00 0.00 43.02 43.54 2a38 s PHE 32 CO 0.00 -0.54 0.91 -2.30 -1.46 0.00 0.00 175.22 171.83 2a38 n PRO 33 N 4.48 -1.54 -1.68 10.12 -0.02 -1.26 -1.49 135.00 143.62 2a38 n PRO 33 Ca -0.19 -0.41 -0.48 0.00 -2.02 0.00 0.00 63.50 60.41 2a38 n PRO 33 Cb 0.57 -2.17 -0.05 0.00 -0.02 0.00 0.00 33.50 31.84 2a38 n PRO 33 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2a38 n VAL 34 N -4.58 0.41 -1.16 -1.45 0.31 -1.26 -4.87 118.33 105.73 2a38 n VAL 34 Ca 0.06 -0.07 -0.34 0.00 -0.01 0.00 0.00 64.34 63.98 2a38 n VAL 34 Cb 0.54 -1.77 0.12 0.00 -0.91 0.00 0.00 33.84 31.82 2a38 n VAL 34 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2a38 n PRO 35 N 5.70 0.26 -3.64 5.55 -0.02 -1.26 -4.93 135.00 136.66 2a38 n PRO 35 Ca 0.21 0.17 -0.36 0.00 -2.02 0.00 0.00 63.50 61.50 2a38 n PRO 35 Cb 0.29 -2.45 -0.08 0.00 -0.02 0.00 0.00 33.50 31.25 2a38 n PRO 35 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2a38 s GLU 36 N -4.05 4.22 0.19 -0.52 2.02 0.91 -4.83 118.70 116.64 2a38 s GLU 36 Ca 0.74 -0.08 0.08 0.00 0.02 0.00 0.00 54.97 55.73 2a38 s GLU 36 Cb -0.30 -3.42 -0.04 0.00 0.10 0.00 0.00 34.13 30.47 2a38 s GLU 36 CO 0.50 0.27 -0.02 0.14 0.02 0.00 0.00 175.26 176.17 2a38 s VAL 37 N 0.42 3.59 -0.20 2.63 -7.23 -1.26 -1.00 120.40 117.35 2a38 s VAL 37 Ca 0.12 -1.54 -0.18 0.00 -1.81 0.00 0.00 61.98 58.57 2a38 s VAL 37 Cb -0.12 -2.82 0.05 0.00 0.56 0.00 0.00 36.38 34.06 2a38 s VAL 37 CO 0.01 -0.15 0.53 -0.55 -0.31 0.00 0.00 175.10 174.62 2a38 s SER 38 N -3.04 -0.56 -0.01 4.85 0.15 -0.48 -4.99 113.70 109.62 2a38 s SER 38 Ca 0.28 1.07 -0.07 0.00 0.70 0.00 0.00 55.95 57.92 2a38 s SER 38 Cb -0.09 1.08 -0.05 0.00 -1.71 0.00 0.00 66.02 65.25 2a38 s SER 38 CO 0.18 -0.19 0.27 0.26 1.20 0.00 0.00 173.24 174.96 2a38 s TRP 39 N 0.36 3.59 0.04 3.44 0.52 -1.26 -0.56 118.94 125.07 2a38 s TRP 39 Ca -0.01 0.61 0.05 0.00 0.02 0.00 0.00 56.10 56.77 2a38 s TRP 39 Cb -0.04 -2.01 -0.02 0.00 -1.15 0.00 0.00 33.47 30.25 2a38 s TRP 39 CO -0.00 0.63 -0.14 -0.06 0.02 0.00 0.00 176.95 177.40 2a38 s PHE 40 N -1.24 1.21 -0.13 -1.98 0.40 0.12 -0.63 117.98 115.73 2a38 s PHE 40 Ca 0.26 -0.35 -0.06 0.00 -0.60 0.00 0.00 56.93 56.18 2a38 s PHE 40 Cb -0.13 -0.72 0.06 0.00 0.51 0.00 0.00 43.02 42.73 2a38 s PHE 40 CO 0.14 0.03 0.30 0.50 0.70 0.00 0.00 175.22 176.89 2a38 s ARG 41 N -1.10 0.24 -1.37 0.44 3.52 -0.47 -0.85 118.95 119.36 2a38 s ARG 41 Ca 0.02 0.68 -0.04 0.00 -0.13 0.00 0.00 55.73 56.26 2a38 s ARG 41 Cb -0.08 -0.04 0.02 0.00 -1.56 0.00 0.00 34.95 33.29 2a38 s ARG 41 CO 0.01 -0.20 0.77 -3.47 -0.81 0.00 0.00 175.30 171.61 2a38 n ASP 42 N 4.59 -2.20 0.00 -2.12 -0.08 -1.26 -1.93 116.55 113.56 2a38 n ASP 42 Ca -0.19 -0.81 0.00 0.00 -1.51 0.00 0.00 54.79 52.28 2a38 n ASP 42 Cb 0.52 -3.99 0.00 0.00 2.34 0.00 0.00 41.12 39.99 2a38 n ASP 42 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2a38 n GLY 43 N -1.63 1.48 3.74 0.27 0.00 -1.26 -4.96 105.19 102.82 2a38 n GLY 43 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 2a38 n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2a38 s GLN 44 N 0.00 2.74 0.55 1.61 -1.52 -0.81 -5.08 119.66 117.15 2a38 s GLN 44 Ca 0.00 -0.75 -0.21 0.00 -1.95 0.00 0.00 55.36 52.45 2a38 s GLN 44 Cb 0.00 -2.65 -0.04 0.00 -0.22 0.00 0.00 33.01 30.10 2a38 s GLN 44 CO 0.00 0.56 1.30 0.08 -0.25 0.00 0.00 175.29 176.98 2a38 s VAL 45 N -1.36 2.28 -0.08 1.09 1.01 -1.26 -1.37 120.40 120.71 2a38 s VAL 45 Ca 0.28 0.20 -0.15 0.00 0.00 0.00 0.00 61.98 62.31 2a38 s VAL 45 Cb -0.12 -3.10 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 2a38 s VAL 45 CO 0.20 -0.01 0.37 -0.63 0.00 0.00 0.00 175.10 175.03 2a38 s ILE 46 N -1.39 5.18 0.18 2.22 1.01 0.20 -4.80 121.20 123.80 2a38 s ILE 46 Ca 0.73 0.73 -0.14 0.00 0.00 0.00 0.00 60.65 61.97 2a38 s ILE 46 Cb -0.37 -3.69 0.01 0.00 0.01 0.00 0.00 42.46 38.42 2a38 s ILE 46 CO 0.43 0.47 0.41 -0.94 0.00 0.00 0.00 174.94 175.31 2a38 s SER 47 N -0.23 -0.13 0.59 3.58 1.04 -1.26 -4.77 113.70 112.53 2a38 s SER 47 Ca 0.21 -0.64 0.31 0.00 0.48 0.00 0.00 55.95 56.31 2a38 s SER 47 Cb -0.15 0.51 1.84 0.00 0.10 0.00 0.00 66.02 68.33 2a38 s SER 47 CO 0.09 -0.97 2.25 0.71 0.98 0.00 0.00 173.24 176.29 2a38 h THR 48 N 2.36 0.48 0.00 2.02 1.35 -1.84 0.41 112.91 117.69 2a38 h THR 48 Ca -0.30 -0.07 -0.10 0.00 -0.55 0.00 0.00 66.41 65.39 2a38 h THR 48 Cb 1.25 1.04 -0.01 0.00 -1.73 0.00 0.00 68.15 68.69 2a38 h THR 48 CO 0.42 0.01 -0.50 0.28 -0.25 0.00 0.00 175.52 175.49 2a38 h SER 49 N 0.00 0.00 0.00 5.36 0.02 -1.98 -3.17 113.55 113.78 2a38 h SER 49 Ca -0.00 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.72 2a38 h SER 49 Cb 0.04 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.54 2a38 h SER 49 CO 0.00 0.50 -2.19 1.07 -1.14 0.00 0.00 176.83 175.07 2a38 n THR 50 N -3.67 0.88 -3.51 -2.27 5.66 0.43 -4.80 114.28 107.00 2a38 n THR 50 Ca -0.01 -0.70 -0.29 0.00 -3.05 0.00 0.00 64.05 60.00 2a38 n THR 50 Cb 0.57 -0.32 -0.14 0.00 -1.55 0.00 0.00 70.33 68.89 2a38 n THR 50 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 2a38 s LEU 51 N -5.08 0.83 0.11 1.09 2.96 0.12 -4.93 118.68 113.77 2a38 s LEU 51 Ca -0.09 -1.74 -0.36 0.00 -0.22 0.00 0.00 54.13 51.73 2a38 s LEU 51 Cb 0.08 -0.40 -0.17 0.00 0.50 0.00 0.00 46.19 46.21 2a38 s LEU 51 CO 0.81 -0.38 1.23 -2.65 -1.32 0.00 0.00 176.35 174.04 2a38 n PRO 52 N 4.65 0.98 -0.72 0.98 -0.02 -1.20 -2.06 135.00 137.61 2a38 n PRO 52 Ca 0.03 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 2a38 n PRO 52 Cb 0.40 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 2a38 n PRO 52 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a38 n GLY 53 N 2.22 1.15 3.73 -1.23 0.00 -1.26 -4.77 105.19 105.03 2a38 n GLY 53 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2a38 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a38 s VAL 54 N -3.26 2.33 -0.25 1.61 0.11 -0.87 -4.44 120.40 115.63 2a38 s VAL 54 Ca 0.00 0.25 -0.04 0.00 -2.93 0.00 0.00 61.98 59.26 2a38 s VAL 54 Cb 0.00 -3.16 0.00 0.00 -1.53 0.00 0.00 36.38 31.69 2a38 s VAL 54 CO 0.00 0.03 -0.01 -1.10 -3.33 0.00 0.00 175.10 170.69 2a38 s GLN 55 N 0.66 3.22 0.02 1.54 -0.21 -0.50 -4.70 119.66 119.69 2a38 s GLN 55 Ca 0.69 -0.74 0.07 0.00 0.02 0.00 0.00 55.36 55.40 2a38 s GLN 55 Cb -0.46 -3.12 -0.03 0.00 1.00 0.00 0.00 33.01 30.40 2a38 s GLN 55 CO 0.36 -0.30 -0.19 0.42 -2.12 0.00 0.00 175.29 173.46 2a38 s ILE 56 N 1.47 2.69 -0.04 1.08 1.01 -1.26 -0.71 121.20 125.44 2a38 s ILE 56 Ca 0.04 -1.10 -0.21 0.00 0.00 0.00 0.00 60.65 59.37 2a38 s ILE 56 Cb -0.15 -2.09 0.04 0.00 0.01 0.00 0.00 42.46 40.27 2a38 s ILE 56 CO -0.02 0.42 0.46 -0.94 0.00 0.00 0.00 174.94 174.87 2a38 s SER 57 N -1.18 -0.39 -0.18 3.58 1.04 -0.49 -5.01 113.70 111.07 2a38 s SER 57 Ca 0.13 0.39 -0.04 0.00 0.48 0.00 0.00 55.95 56.91 2a38 s SER 57 Cb -0.10 0.45 0.09 0.00 0.10 0.00 0.00 66.02 66.55 2a38 s SER 57 CO 0.03 -0.49 0.25 0.12 0.98 0.00 0.00 173.24 174.13 2a38 s PHE 58 N -1.16 -0.38 -0.18 5.02 5.36 -1.26 -0.88 117.98 124.49 2a38 s PHE 58 Ca -0.12 0.54 -0.13 0.00 -0.96 0.00 0.00 56.93 56.27 2a38 s PHE 58 Cb -0.03 -0.21 0.05 0.00 -0.34 0.00 0.00 43.02 42.49 2a38 s PHE 58 CO 0.06 -0.52 0.46 0.45 -1.46 0.00 0.00 175.22 174.21 2a38 s SER 59 N 2.38 -0.54 -1.25 6.13 0.15 -0.53 -4.95 113.70 115.08 2a38 s SER 59 Ca 0.06 0.97 -0.02 0.00 0.70 0.00 0.00 55.95 57.66 2a38 s SER 59 Cb -0.14 0.91 0.00 0.00 -1.71 0.00 0.00 66.02 65.08 2a38 s SER 59 CO -0.11 -0.18 0.99 0.47 1.20 0.00 0.00 173.24 175.61 2a38 n ASP 60 N 3.61 -2.80 -1.71 5.45 9.92 -1.26 -1.93 116.55 127.84 2a38 n ASP 60 Ca -0.18 -0.64 -0.21 0.00 -0.53 0.00 0.00 54.79 53.23 2a38 n ASP 60 Cb 0.56 -4.93 -0.08 0.00 -0.64 0.00 0.00 41.12 36.04 2a38 n ASP 60 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2a38 n GLY 61 N -1.37 1.68 2.98 0.44 0.00 -1.26 -4.93 105.19 102.72 2a38 n GLY 61 Ca -0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 2a38 n GLY 61 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2a38 s ARG 62 N -3.93 1.98 -0.05 1.61 3.52 -0.81 0.36 118.95 121.63 2a38 s ARG 62 Ca 0.00 -0.70 0.01 0.00 -0.13 0.00 0.00 55.73 54.92 2a38 s ARG 62 Cb 0.00 -2.24 -0.03 0.00 -1.56 0.00 0.00 34.95 31.12 2a38 s ARG 62 CO 0.00 -0.37 -0.06 0.00 -0.81 0.00 0.00 175.30 174.06 2a38 s ALA 63 N 1.47 3.04 0.01 6.12 0.00 -0.26 -1.46 121.76 130.67 2a38 s ALA 63 Ca 0.01 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.06 2a38 s ALA 63 Cb -0.15 -1.24 -0.01 0.00 0.00 0.00 0.00 23.12 21.73 2a38 s ALA 63 CO -0.09 0.59 -0.02 0.15 0.00 0.00 0.00 175.76 176.39 2a38 s LYS 64 N -1.00 0.16 -0.11 0.00 1.02 -0.06 -1.31 119.74 118.43 2a38 s LYS 64 Ca 0.14 -0.21 -0.01 0.00 0.02 0.00 0.00 55.97 55.91 2a38 s LYS 64 Cb -0.11 -0.04 0.03 0.00 -0.52 0.00 0.00 37.83 37.18 2a38 s LYS 64 CO 0.03 0.01 -0.05 -1.17 -0.92 0.00 0.00 175.35 173.25 2a38 s LEU 65 N -0.45 1.08 -0.18 3.17 2.96 -0.42 -1.39 118.68 123.45 2a38 s LEU 65 Ca -0.04 -0.32 -0.02 0.00 -0.22 0.00 0.00 54.13 53.53 2a38 s LEU 65 Cb -0.03 -0.73 -0.01 0.00 0.50 0.00 0.00 46.19 45.92 2a38 s LEU 65 CO -0.00 -0.16 -0.08 -0.89 -1.32 0.00 0.00 176.35 173.90 2a38 s THR 66 N 1.78 3.20 -0.25 3.68 2.01 0.11 0.02 115.64 126.19 2a38 s THR 66 Ca 0.04 -0.57 -0.09 0.00 0.31 0.00 0.00 61.69 61.37 2a38 s THR 66 Cb -0.13 -2.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 2a38 s THR 66 CO -0.07 0.47 0.13 -0.63 -0.69 0.00 0.00 174.62 173.83 2a38 s ILE 67 N 0.98 4.99 0.00 1.82 1.01 0.85 -1.41 121.20 129.43 2a38 s ILE 67 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.69 2a38 s ILE 67 Cb -0.15 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 38.99 2a38 s ILE 67 CO -0.01 0.33 0.63 -2.65 0.00 0.00 0.00 174.94 173.24 2a38 n PRO 68 N 4.57 0.00 -3.85 2.79 -0.02 -1.26 -1.71 135.00 135.53 2a38 n PRO 68 Ca -0.15 0.38 -0.30 0.00 -2.02 0.00 0.00 63.50 61.41 2a38 n PRO 68 Cb 0.52 -1.13 -0.13 0.00 -0.02 0.00 0.00 33.50 32.74 2a38 n PRO 68 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2a38 s ALA 69 N -2.76 2.91 0.08 3.55 0.00 -1.26 -3.03 121.76 121.25 2a38 s ALA 69 Ca 0.00 -3.08 -0.35 0.00 0.00 0.00 0.00 51.96 48.53 2a38 s ALA 69 Cb 0.00 -2.05 -0.15 0.00 0.00 0.00 0.00 23.12 20.92 2a38 s ALA 69 CO 0.00 -2.04 1.52 0.28 0.00 0.00 0.00 175.76 175.52 2a38 n VAL 70 N 3.13 0.07 -4.32 0.00 0.31 0.76 -4.67 118.33 113.61 2a38 n VAL 70 Ca 0.08 -0.01 -0.23 0.00 -0.01 0.00 0.00 64.34 64.17 2a38 n VAL 70 Cb 0.34 -1.27 -0.08 0.00 -0.91 0.00 0.00 33.84 31.92 2a38 n VAL 70 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2a38 s THR 71 N 1.20 3.11 0.56 2.52 -4.23 -1.26 0.73 115.64 118.27 2a38 s THR 71 Ca 0.84 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 59.62 2a38 s THR 71 Cb -0.81 -2.75 0.37 0.00 1.34 0.00 0.00 72.50 70.65 2a38 s THR 71 CO 0.44 -0.34 2.03 0.50 -0.54 0.00 0.00 174.62 176.72 2a38 h LYS 72 N 1.92 0.00 0.00 3.99 1.63 -1.96 0.22 116.57 122.36 2a38 h LYS 72 Ca -0.43 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.35 2a38 h LYS 72 Cb 1.25 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.88 2a38 h LYS 72 CO 0.62 0.00 -0.10 0.00 -3.45 0.00 0.00 179.45 176.52 2a38 h ALA 73 N 1.71 1.01 0.00 5.00 0.00 -2.00 -2.80 119.26 122.18 2a38 h ALA 73 Ca 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2a38 h ALA 73 Cb 0.78 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2a38 h ALA 73 CO -0.00 0.12 0.00 0.09 0.00 0.00 0.00 179.25 179.46 2a38 n ASN 74 N -3.22 0.65 -4.73 0.00 5.03 0.77 -4.87 115.26 108.88 2a38 n ASN 74 Ca 0.01 0.57 -0.33 0.00 0.87 0.00 0.00 54.58 55.70 2a38 n ASN 74 Cb 0.38 -0.75 0.09 0.00 -1.02 0.00 0.00 39.78 38.49 2a38 n ASN 74 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2a38 s SER 75 N -4.22 4.25 0.00 6.41 1.04 -1.06 -4.85 113.70 115.27 2a38 s SER 75 Ca 0.10 2.13 0.00 0.00 0.48 0.00 0.00 55.95 58.66 2a38 s SER 75 Cb 0.13 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.69 2a38 s SER 75 CO 0.55 -2.21 0.00 0.61 0.98 0.00 0.00 173.24 173.17 2a38 n GLY 76 N -0.19 0.49 3.79 7.32 0.00 -0.72 -4.93 105.19 110.96 2a38 n GLY 76 Ca 0.11 -2.24 -0.37 0.00 0.00 0.00 0.00 46.02 43.52 2a38 n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2a38 s ARG 77 N -0.28 4.47 0.01 1.61 0.52 -1.26 -0.00 118.95 124.02 2a38 s ARG 77 Ca 0.00 1.12 0.03 0.00 -0.52 0.00 0.00 55.73 56.37 2a38 s ARG 77 Cb 0.00 -2.97 -0.01 0.00 0.52 0.00 0.00 34.95 32.49 2a38 s ARG 77 CO 0.00 0.41 -0.10 0.71 0.02 0.00 0.00 175.30 176.34 2a38 s TYR 78 N -1.45 0.86 0.12 -0.53 1.51 -0.23 -4.55 117.35 113.09 2a38 s TYR 78 Ca 0.44 -0.24 0.06 0.00 -1.01 0.00 0.00 57.07 56.31 2a38 s TYR 78 Cb -0.19 -0.54 -0.04 0.00 -0.11 0.00 0.00 41.96 41.08 2a38 s TYR 78 CO 0.24 -0.01 -0.13 -1.12 -1.11 0.00 0.00 175.55 173.41 2a38 s SER 79 N -0.62 1.94 -0.09 2.29 0.01 -0.03 -1.61 113.70 115.59 2a38 s SER 79 Ca 0.01 -0.83 0.02 0.00 1.31 0.00 0.00 55.95 56.46 2a38 s SER 79 Cb -0.05 -0.06 0.02 0.00 0.21 0.00 0.00 66.02 66.13 2a38 s SER 79 CO 0.00 -0.17 -0.13 -0.22 0.41 0.00 0.00 173.24 173.13 2a38 s LEU 80 N -2.51 1.61 -0.14 2.44 2.96 0.34 0.14 118.68 123.52 2a38 s LEU 80 Ca 0.09 -0.37 -0.02 0.00 -0.22 0.00 0.00 54.13 53.62 2a38 s LEU 80 Cb -0.04 -0.96 -0.02 0.00 0.50 0.00 0.00 46.19 45.66 2a38 s LEU 80 CO 0.03 0.00 -0.08 -0.54 -1.32 0.00 0.00 176.35 174.43 2a38 s LYS 81 N 0.99 3.52 -0.11 1.98 1.02 0.27 -1.10 119.74 126.31 2a38 s LYS 81 Ca -0.08 -0.60 0.03 0.00 0.02 0.00 0.00 55.97 55.35 2a38 s LYS 81 Cb -0.15 -2.77 0.00 0.00 -0.52 0.00 0.00 37.83 34.40 2a38 s LYS 81 CO -0.01 0.24 -0.23 0.00 -0.92 0.00 0.00 175.35 174.43 2a38 s ALA 82 N 0.33 2.21 0.01 5.17 0.00 0.71 -1.38 121.76 128.82 2a38 s ALA 82 Ca -0.07 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 50.92 2a38 s ALA 82 Cb -0.15 -0.88 -0.01 0.00 0.00 0.00 0.00 23.12 22.08 2a38 s ALA 82 CO 0.04 0.21 -0.09 0.99 0.00 0.00 0.00 175.76 176.91 2a38 s THR 83 N 0.46 0.71 0.28 0.00 2.01 -0.17 -0.62 115.64 118.30 2a38 s THR 83 Ca -0.16 -0.62 -0.05 0.00 0.31 0.00 0.00 61.69 61.17 2a38 s THR 83 Cb -0.17 -0.64 0.02 0.00 0.01 0.00 0.00 72.50 71.72 2a38 s THR 83 CO 0.06 0.03 0.45 -0.46 -0.69 0.00 0.00 174.62 174.01 2a38 n ASN 84 N 2.39 -1.29 -0.21 3.53 0.23 -0.69 -0.06 115.26 119.16 2a38 n ASN 84 Ca -0.16 -2.36 0.17 0.00 -0.53 0.00 0.00 54.58 51.70 2a38 n ASN 84 Cb 0.56 2.28 0.49 0.00 -2.08 0.00 0.00 39.78 41.04 2a38 n ASN 84 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2a38 h GLY 85 N 1.50 0.85 1.94 4.83 0.00 -1.90 -2.56 103.07 107.73 2a38 h GLY 85 Ca -0.22 -0.20 -0.06 0.00 0.00 0.00 0.00 47.33 46.85 2a38 h GLY 85 CO 0.30 0.04 -0.33 1.76 0.00 0.00 0.00 176.54 178.30 2a38 h SER 86 N 0.45 0.00 0.00 0.19 0.02 -1.87 -3.50 113.55 108.84 2a38 h SER 86 Ca 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 2a38 h SER 86 Cb 0.97 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.51 2a38 h SER 86 CO -0.16 0.28 0.00 0.61 -1.14 0.00 0.00 176.83 176.42 2a38 n GLY 87 N 1.18 -0.98 2.91 -3.77 0.00 -0.97 -4.72 105.19 98.84 2a38 n GLY 87 Ca 0.02 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 2a38 n GLY 87 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2a38 s GLN 88 N -1.02 0.22 0.08 1.61 0.74 -1.26 -1.70 119.66 118.34 2a38 s GLN 88 Ca 0.00 -0.09 0.06 0.00 0.05 0.00 0.00 55.36 55.39 2a38 s GLN 88 Cb 0.00 -0.23 -0.03 0.00 1.10 0.00 0.00 33.01 33.85 2a38 s GLN 88 CO 0.00 0.05 -0.17 0.00 -0.55 0.00 0.00 175.29 174.62 2a38 s ALA 89 N 0.00 1.40 0.02 1.58 0.00 0.21 -4.92 121.76 120.06 2a38 s ALA 89 Ca 0.00 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 50.87 2a38 s ALA 89 Cb -0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 2a38 s ALA 89 CO -0.00 0.23 -0.04 0.99 0.00 0.00 0.00 175.76 176.94 2a38 s THR 90 N -1.26 0.22 -0.02 0.00 2.01 -1.26 -0.20 115.64 115.13 2a38 s THR 90 Ca 0.01 -0.76 0.02 0.00 0.31 0.00 0.00 61.69 61.27 2a38 s THR 90 Cb -0.10 -0.31 0.00 0.00 0.01 0.00 0.00 72.50 72.10 2a38 s THR 90 CO 0.03 -0.35 -0.06 -0.55 -0.69 0.00 0.00 174.62 172.99 2a38 s SER 91 N -1.17 0.84 0.00 3.53 0.15 -0.26 -4.97 113.70 111.82 2a38 s SER 91 Ca -0.11 -0.13 0.03 0.00 0.70 0.00 0.00 55.95 56.44 2a38 s SER 91 Cb -0.08 -0.19 -0.01 0.00 -1.71 0.00 0.00 66.02 64.04 2a38 s SER 91 CO -0.00 0.05 -0.09 -0.89 1.20 0.00 0.00 173.24 173.50 2a38 s THR 92 N 0.12 0.73 0.19 6.45 2.01 -1.26 -0.51 115.64 123.38 2a38 s THR 92 Ca -0.01 -0.48 -0.11 0.00 0.31 0.00 0.00 61.69 61.39 2a38 s THR 92 Cb -0.06 -0.63 -0.00 0.00 0.01 0.00 0.00 72.50 71.82 2a38 s THR 92 CO -0.00 0.15 0.37 0.00 -0.69 0.00 0.00 174.62 174.45 2a38 s ALA 93 N -0.34 -0.21 0.11 7.40 0.00 -0.63 -4.85 121.76 123.23 2a38 s ALA 93 Ca 0.02 -0.77 0.05 0.00 0.00 0.00 0.00 51.96 51.26 2a38 s ALA 93 Cb -0.04 0.92 -0.04 0.00 0.00 0.00 0.00 23.12 23.96 2a38 s ALA 93 CO -0.00 -0.73 0.04 -1.21 0.00 0.00 0.00 175.76 173.86 2a38 s GLU 94 N -3.97 2.67 -0.31 0.00 2.02 -1.26 -1.06 118.70 116.79 2a38 s GLU 94 Ca 0.17 -0.83 -0.09 0.00 0.02 0.00 0.00 54.97 54.24 2a38 s GLU 94 Cb 0.02 -2.59 -0.00 0.00 0.10 0.00 0.00 34.13 31.66 2a38 s GLU 94 CO 0.02 0.53 0.14 -1.17 0.02 0.00 0.00 175.26 174.80 2a38 s LEU 95 N -2.51 4.06 -0.29 1.80 2.96 0.99 -1.08 118.68 124.61 2a38 s LEU 95 Ca 0.28 -0.57 -0.10 0.00 -0.22 0.00 0.00 54.13 53.52 2a38 s LEU 95 Cb -0.11 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 2a38 s LEU 95 CO 0.20 -0.20 0.15 -0.76 -1.32 0.00 0.00 176.35 174.42 2a38 s LEU 96 N 1.59 3.97 -0.28 -0.68 1.43 0.78 -1.75 118.68 123.74 2a38 s LEU 96 Ca 0.04 -0.35 -0.14 0.00 -1.03 0.00 0.00 54.13 52.65 2a38 s LEU 96 Cb -0.17 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 2a38 s LEU 96 CO 0.05 -0.13 0.31 -0.69 0.23 0.00 0.00 176.35 176.12 2a38 s VAL 97 N 1.65 5.22 0.40 -1.59 1.01 -1.26 -0.98 120.40 124.85 2a38 s VAL 97 Ca 0.06 0.40 0.08 0.00 0.00 0.00 0.00 61.98 62.52 2a38 s VAL 97 Cb -0.16 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 2a38 s VAL 97 CO 0.07 0.18 0.37 -0.54 0.00 0.00 0.00 175.10 175.18 2a38 s LYS 98 N 1.96 2.60 0.00 2.72 -0.14 0.14 -4.88 119.74 122.14 2a38 s LYS 98 Ca 0.12 -1.45 0.00 0.00 -1.36 0.00 0.00 55.97 53.28 2a38 s LYS 98 Cb -0.16 -2.43 0.00 0.00 -1.68 0.00 0.00 37.83 33.56 2a38 s LYS 98 CO 0.10 -0.13 0.30 0.00 -0.76 0.00 0.00 175.35 174.86 2a38 n ALA 99 N -1.53 1.92 -2.40 5.17 0.00 -1.26 -0.86 120.51 121.55 2a38 n ALA 99 Ca 0.03 -0.30 -0.12 0.00 0.00 0.00 0.00 53.44 53.04 2a38 n ALA 99 Cb 0.61 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.96 2a38 n ALA 99 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2a38 s GLU 100 N -0.21 0.79 0.85 0.00 2.02 -1.26 -4.97 118.70 115.91 2a38 s GLU 100 Ca 0.00 -1.18 -0.12 0.00 0.02 0.00 0.00 54.97 53.69 2a38 s GLU 100 Cb 0.00 -0.33 0.10 0.00 0.10 0.00 0.00 34.13 34.00 2a38 s GLU 100 CO 0.00 0.03 1.14 0.95 0.02 0.00 0.00 175.26 177.40 2a38 s THR 101 N -2.84 2.28 -0.23 3.63 -4.23 -1.26 -4.89 115.64 108.10 2a38 s THR 101 Ca 0.06 0.09 -0.10 0.00 -1.18 0.00 0.00 61.69 60.56 2a38 s THR 101 Cb -0.00 -2.93 0.09 0.00 1.34 0.00 0.00 72.50 71.00 2a38 s THR 101 CO -0.02 -0.12 0.53 0.00 -0.54 0.00 0.00 174.62 174.47 2a38 s ALA 102 N -3.35 -1.48 0.87 3.99 0.00 0.11 -4.88 121.76 117.03 2a38 s ALA 102 Ca 0.62 1.91 -0.11 0.00 0.00 0.00 0.00 51.96 54.38 2a38 s ALA 102 Cb -0.13 -1.33 0.12 0.00 0.00 0.00 0.00 23.12 21.78 2a38 s ALA 102 CO 0.52 -0.56 1.15 -1.25 0.00 0.00 0.00 175.76 175.62 2a38 s PRO 103 N 2.08 1.30 0.32 0.00 0.04 -1.26 -0.98 135.00 136.50 2a38 s PRO 103 Ca -0.07 1.54 -0.28 0.00 0.04 0.00 0.00 61.00 62.23 2a38 s PRO 103 Cb -0.09 -1.76 -0.13 0.00 0.04 0.00 0.00 34.50 32.56 2a38 s PRO 103 CO -0.16 -2.42 1.14 -2.30 0.04 0.00 0.00 177.00 173.29 2a38 n PRO 104 N -3.96 1.70 -3.74 0.56 -0.02 -1.26 -4.55 135.00 123.74 2a38 n PRO 104 Ca 0.12 0.60 -0.12 0.00 -2.02 0.00 0.00 63.50 62.07 2a38 n PRO 104 Cb 0.52 -2.07 -0.13 0.00 -0.02 0.00 0.00 33.50 31.80 2a38 n PRO 104 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2a38 s ASN 105 N -0.45 -0.26 -0.48 2.55 2.47 -0.11 -4.62 114.94 114.04 2a38 s ASN 105 Ca 0.57 0.52 -0.24 0.00 0.42 0.00 0.00 52.86 54.14 2a38 s ASN 105 Cb -0.64 0.42 0.03 0.00 -1.45 0.00 0.00 41.25 39.62 2a38 s ASN 105 CO 0.61 -0.15 0.85 -0.36 -3.72 0.00 0.00 177.10 174.32 2a38 s PHE 106 N 1.10 2.93 0.02 0.43 0.40 -1.26 -0.44 117.98 121.16 2a38 s PHE 106 Ca -0.08 0.13 0.15 0.00 -0.60 0.00 0.00 56.93 56.52 2a38 s PHE 106 Cb -0.09 -3.83 0.24 0.00 0.51 0.00 0.00 43.02 39.85 2a38 s PHE 106 CO -0.07 -1.11 1.52 0.28 0.70 0.00 0.00 175.22 176.54 2a38 h VAL 107 N 6.01 1.06 -3.24 -0.44 2.07 -0.71 -3.41 116.25 117.58 2a38 h VAL 107 Ca -0.25 -2.20 -0.45 0.00 0.82 0.00 0.00 66.70 64.62 2a38 h VAL 107 Cb 1.08 2.32 -0.38 0.00 -1.52 0.00 0.00 31.29 32.79 2a38 h VAL 107 CO 1.01 0.54 -0.77 -1.58 0.02 0.00 0.00 177.57 176.79 2a38 s GLN 108 N -3.17 0.74 0.28 1.57 0.74 -0.96 -4.91 119.66 113.95 2a38 s GLN 108 Ca 0.02 0.06 0.06 0.00 0.05 0.00 0.00 55.36 55.55 2a38 s GLN 108 Cb 0.09 -1.06 -0.02 0.00 1.10 0.00 0.00 33.01 33.12 2a38 s GLN 108 CO 0.74 -0.30 0.35 1.03 -0.55 0.00 0.00 175.29 176.56 2a38 s ARG 109 N 1.93 3.16 0.42 1.67 0.52 -1.26 -1.71 118.95 123.69 2a38 s ARG 109 Ca 0.05 -0.95 -0.25 0.00 -0.52 0.00 0.00 55.73 54.05 2a38 s ARG 109 Cb -0.12 -2.76 -0.08 0.00 0.52 0.00 0.00 34.95 32.51 2a38 s ARG 109 CO -0.06 0.28 1.27 -0.51 0.02 0.00 0.00 175.30 176.30 2a38 s LEU 110 N -4.01 4.16 -0.07 2.53 1.43 -1.26 -4.81 118.68 116.65 2a38 s LEU 110 Ca 0.38 2.58 0.04 0.00 -1.03 0.00 0.00 54.13 56.09 2a38 s LEU 110 Cb -0.09 -3.99 0.00 0.00 0.03 0.00 0.00 46.19 42.15 2a38 s LEU 110 CO 0.29 -0.90 -0.18 -1.10 0.23 0.00 0.00 176.35 174.69 2a38 s GLN 111 N -2.36 2.19 0.62 1.70 -0.21 -1.26 -4.73 119.66 115.61 2a38 s GLN 111 Ca 0.59 -0.64 -0.18 0.00 0.02 0.00 0.00 55.36 55.15 2a38 s GLN 111 Cb -0.36 -1.77 -0.03 0.00 1.00 0.00 0.00 33.01 31.85 2a38 s GLN 111 CO 0.46 0.16 1.08 0.43 -2.12 0.00 0.00 175.29 175.29 2a38 n SER 112 N 3.48 1.19 -3.49 5.90 7.64 -1.26 -4.81 113.62 122.27 2a38 n SER 112 Ca -0.20 0.81 -0.13 0.00 1.01 0.00 0.00 58.87 60.36 2a38 n SER 112 Cb 0.52 -1.45 -0.03 0.00 -1.01 0.00 0.00 64.21 62.24 2a38 n SER 112 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2a38 s MET 113 N -2.99 1.18 -0.05 1.43 0.23 -0.50 -4.93 119.30 113.66 2a38 s MET 113 Ca 0.79 -0.39 0.03 0.00 -1.03 0.00 0.00 55.69 55.08 2a38 s MET 113 Cb -0.40 0.54 0.01 0.00 -1.53 0.00 0.00 34.83 33.45 2a38 s MET 113 CO 0.44 -0.48 -0.12 0.99 -2.03 0.00 0.00 175.02 173.82 2a38 s THR 114 N -3.25 1.12 0.20 3.16 2.01 -1.26 -1.47 115.64 116.14 2a38 s THR 114 Ca -0.01 -0.49 0.01 0.00 0.31 0.00 0.00 61.69 61.50 2a38 s THR 114 Cb -0.00 -1.01 -0.05 0.00 0.01 0.00 0.00 72.50 71.45 2a38 s THR 114 CO -0.08 0.34 0.07 0.68 -0.69 0.00 0.00 174.62 174.94 2a38 s VAL 115 N 0.48 0.39 0.35 3.82 -7.23 -0.66 -5.00 120.40 112.55 2a38 s VAL 115 Ca -0.11 -1.98 -0.03 0.00 -1.81 0.00 0.00 61.98 58.06 2a38 s VAL 115 Cb -0.14 -2.34 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 2a38 s VAL 115 CO 0.03 -0.23 0.60 -0.13 -0.31 0.00 0.00 175.10 175.06 2a38 s ARG 116 N -4.03 3.55 0.27 4.82 0.52 -1.26 -1.77 118.95 121.05 2a38 s ARG 116 Ca 0.31 -0.10 -0.28 0.00 -0.52 0.00 0.00 55.73 55.14 2a38 s ARG 116 Cb 0.07 -2.60 -0.15 0.00 0.52 0.00 0.00 34.95 32.80 2a38 s ARG 116 CO 0.08 0.10 0.95 0.94 0.02 0.00 0.00 175.30 177.39 2a38 n GLN 117 N -1.57 1.13 -0.08 3.54 7.27 0.34 -2.34 117.38 125.67 2a38 n GLN 117 Ca -0.03 0.40 0.00 0.00 0.07 0.00 0.00 57.00 57.44 2a38 n GLN 117 Cb 0.55 -1.72 0.00 0.00 2.41 0.00 0.00 30.24 31.48 2a38 n GLN 117 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2a38 n GLY 118 N 1.40 2.38 3.92 1.69 0.00 0.23 -4.98 105.19 109.83 2a38 n GLY 118 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 2a38 n GLY 118 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a38 s SER 119 N -3.62 5.86 0.39 1.61 1.04 -0.99 -4.43 113.70 113.56 2a38 s SER 119 Ca 0.00 0.71 -0.11 0.00 0.48 0.00 0.00 55.95 57.03 2a38 s SER 119 Cb 0.00 -1.86 -0.07 0.00 0.10 0.00 0.00 66.02 64.20 2a38 s SER 119 CO 0.00 -0.84 0.76 0.00 0.98 0.00 0.00 173.24 174.14 2a38 s GLN 120 N -4.83 3.81 -0.02 4.02 -2.07 -1.24 -1.01 119.66 118.31 2a38 s GLN 120 Ca 0.51 0.49 0.01 0.00 -1.82 0.00 0.00 55.36 54.54 2a38 s GLN 120 Cb -0.10 -2.40 0.01 0.00 -1.09 0.00 0.00 33.01 29.43 2a38 s GLN 120 CO 0.44 -0.00 -0.03 0.08 -1.32 0.00 0.00 175.29 174.46 2a38 s VAL 121 N -2.31 0.31 -0.10 3.63 1.01 -0.63 -4.94 120.40 117.36 2a38 s VAL 121 Ca 0.51 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.43 2a38 s VAL 121 Cb -0.10 -0.32 0.02 0.00 0.00 0.00 0.00 36.38 35.97 2a38 s VAL 121 CO 0.29 0.13 -0.13 -0.60 0.00 0.00 0.00 175.10 174.79 2a38 s ARG 122 N 0.46 2.03 -0.12 2.72 3.52 -1.26 -0.55 118.95 125.75 2a38 s ARG 122 Ca -0.05 -0.49 -0.00 0.00 -0.13 0.00 0.00 55.73 55.06 2a38 s ARG 122 Cb -0.08 -1.77 -0.02 0.00 -1.56 0.00 0.00 34.95 31.52 2a38 s ARG 122 CO -0.01 -0.09 -0.12 -0.51 -0.81 0.00 0.00 175.30 173.77 2a38 s LEU 123 N 1.07 2.82 -0.02 -0.88 1.43 -0.13 -4.96 118.68 118.01 2a38 s LEU 123 Ca -0.05 -0.26 -0.03 0.00 -1.03 0.00 0.00 54.13 52.75 2a38 s LEU 123 Cb -0.15 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.45 2a38 s LEU 123 CO -0.02 0.21 0.08 -1.58 0.23 0.00 0.00 176.35 175.27 2a38 s GLN 124 N 0.11 0.19 0.03 1.70 0.74 -1.26 -0.30 119.66 120.87 2a38 s GLN 124 Ca -0.05 -0.04 -0.02 0.00 0.05 0.00 0.00 55.36 55.30 2a38 s GLN 124 Cb -0.15 0.08 -0.02 0.00 1.10 0.00 0.00 33.01 34.02 2a38 s GLN 124 CO 0.04 -0.03 0.00 0.14 -0.55 0.00 0.00 175.29 174.89 2a38 s VAL 125 N -0.34 0.15 -0.10 1.34 -7.23 -0.77 -4.22 120.40 109.23 2a38 s VAL 125 Ca -0.04 -1.21 0.02 0.00 -1.81 0.00 0.00 61.98 58.94 2a38 s VAL 125 Cb -0.03 -0.77 0.02 0.00 0.56 0.00 0.00 36.38 36.15 2a38 s VAL 125 CO 0.00 -0.66 -0.14 -0.60 -0.31 0.00 0.00 175.10 173.39 2a38 s ARG 126 N -2.43 2.03 -0.00 4.82 3.52 -0.69 -1.34 118.95 124.86 2a38 s ARG 126 Ca -0.07 -0.49 0.07 0.00 -0.13 0.00 0.00 55.73 55.11 2a38 s ARG 126 Cb -0.03 -1.75 -0.02 0.00 -1.56 0.00 0.00 34.95 31.59 2a38 s ARG 126 CO -0.04 -0.07 -0.23 0.14 -0.81 0.00 0.00 175.30 174.29 2a38 s VAL 127 N 1.01 1.79 0.32 7.11 -7.23 -0.19 0.09 120.40 123.31 2a38 s VAL 127 Ca -0.07 -1.03 0.09 0.00 -1.81 0.00 0.00 61.98 59.16 2a38 s VAL 127 Cb -0.15 -1.50 -0.06 0.00 0.56 0.00 0.00 36.38 35.23 2a38 s VAL 127 CO -0.01 0.45 -0.09 0.42 -0.31 0.00 0.00 175.10 175.56 2a38 s THR 128 N -0.59 2.04 0.00 5.32 -4.23 0.42 -4.70 115.64 113.91 2a38 s THR 128 Ca 0.09 -2.19 0.00 0.00 -1.18 0.00 0.00 61.69 58.41 2a38 s THR 128 Cb -0.09 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.19 2a38 s THR 128 CO -0.00 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 2a38 n GLY 129 N -0.71 3.70 2.86 3.99 0.00 -1.26 -0.93 105.19 112.83 2a38 n GLY 129 Ca -0.05 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 45.07 2a38 n GLY 129 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a38 s ILE 130 N -2.00 0.93 0.92 -0.61 -1.09 -0.15 -3.16 121.20 116.03 2a38 s ILE 130 Ca 0.00 -0.43 -0.12 0.00 -2.23 0.00 0.00 60.65 57.87 2a38 s ILE 130 Cb 0.00 -1.09 0.14 0.00 -1.58 0.00 0.00 42.46 39.93 2a38 s ILE 130 CO 0.00 0.17 1.11 -2.16 -1.23 0.00 0.00 174.94 172.83 2a38 s PRO 131 N 1.72 1.10 -0.12 2.79 0.04 -1.26 0.06 135.00 139.34 2a38 s PRO 131 Ca 0.02 0.53 -0.37 0.00 0.04 0.00 0.00 61.00 61.22 2a38 s PRO 131 Cb -0.14 -1.81 -0.15 0.00 0.04 0.00 0.00 34.50 32.44 2a38 s PRO 131 CO -0.07 -2.27 1.69 2.41 0.04 0.00 0.00 177.00 178.79 2a38 n THR 132 N -3.86 0.29 -1.49 1.26 -1.04 -1.19 -4.83 114.28 103.42 2a38 n THR 132 Ca 0.06 -0.05 -0.32 0.00 -2.04 0.00 0.00 64.05 61.70 2a38 n THR 132 Cb 0.57 -1.36 0.07 0.00 -1.82 0.00 0.00 70.33 67.80 2a38 n THR 132 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2a38 s PRO 133 N 2.86 2.49 -0.26 -2.82 0.02 -1.26 -4.87 135.00 131.16 2a38 s PRO 133 Ca 0.92 1.30 -0.10 0.00 0.02 0.00 0.00 61.00 63.14 2a38 s PRO 133 Cb -0.91 -1.92 -0.05 0.00 0.02 0.00 0.00 34.50 31.65 2a38 s PRO 133 CO 0.56 -1.48 0.17 0.08 -0.33 0.00 0.00 177.00 175.99 2a38 s VAL 134 N -2.60 5.25 -0.15 3.83 1.01 0.30 -4.86 120.40 123.17 2a38 s VAL 134 Ca 0.64 0.14 -0.03 0.00 0.00 0.00 0.00 61.98 62.74 2a38 s VAL 134 Cb -0.19 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 2a38 s VAL 134 CO 0.49 0.29 -0.06 -0.69 0.00 0.00 0.00 175.10 175.13 2a38 s VAL 135 N 1.47 3.69 0.01 2.92 1.01 -1.26 -1.52 120.40 126.73 2a38 s VAL 135 Ca 0.07 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.65 2a38 s VAL 135 Cb -0.15 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 2a38 s VAL 135 CO 0.08 0.50 -0.09 -0.54 0.00 0.00 0.00 175.10 175.04 2a38 s LYS 136 N 0.42 0.72 -0.11 2.72 1.02 -0.45 -4.98 119.74 119.09 2a38 s LYS 136 Ca -0.05 -0.42 -0.06 0.00 0.02 0.00 0.00 55.97 55.45 2a38 s LYS 136 Cb -0.15 -0.68 -0.04 0.00 -0.52 0.00 0.00 37.83 36.44 2a38 s LYS 136 CO 0.03 0.18 0.13 -0.06 -0.92 0.00 0.00 175.35 174.72 2a38 s PHE 137 N -0.42 3.56 0.09 3.18 0.40 -1.26 -1.16 117.98 122.37 2a38 s PHE 137 Ca 0.02 0.49 0.05 0.00 -0.60 0.00 0.00 56.93 56.88 2a38 s PHE 137 Cb -0.05 -1.92 -0.03 0.00 0.51 0.00 0.00 43.02 41.53 2a38 s PHE 137 CO -0.00 0.71 -0.12 0.71 0.70 0.00 0.00 175.22 177.22 2a38 s TYR 138 N -1.04 1.18 -0.17 0.36 2.02 0.61 -1.58 117.35 118.72 2a38 s TYR 138 Ca 0.16 -0.56 -0.00 0.00 -0.37 0.00 0.00 57.07 56.30 2a38 s TYR 138 Cb -0.12 -0.65 0.04 0.00 -0.40 0.00 0.00 41.96 40.84 2a38 s TYR 138 CO 0.05 0.05 -0.06 0.50 -1.57 0.00 0.00 175.55 174.53 2a38 s ARG 139 N -2.35 1.54 -1.53 -0.62 3.52 0.34 -1.33 118.95 118.52 2a38 s ARG 139 Ca 0.03 -0.59 -0.07 0.00 -0.13 0.00 0.00 55.73 54.97 2a38 s ARG 139 Cb -0.06 -2.10 0.06 0.00 -1.56 0.00 0.00 34.95 31.29 2a38 s ARG 139 CO 0.02 -0.44 0.56 -0.25 -0.81 0.00 0.00 175.30 174.38 2a38 n ASP 140 N 4.84 -1.56 0.00 -2.12 8.00 0.40 -0.80 116.55 125.31 2a38 n ASP 140 Ca -0.12 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.37 2a38 n ASP 140 Cb 0.47 -2.94 0.00 0.00 -0.02 0.00 0.00 41.12 38.64 2a38 n ASP 140 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a38 n GLY 141 N -1.79 2.80 3.87 0.44 0.00 -1.26 -5.02 105.19 104.23 2a38 n GLY 141 Ca -0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 2a38 n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a38 s ALA 142 N -2.36 3.81 0.28 4.61 0.00 0.02 -5.01 121.76 123.13 2a38 s ALA 142 Ca 0.00 -0.50 -0.30 0.00 0.00 0.00 0.00 51.96 51.16 2a38 s ALA 142 Cb 0.00 -2.13 -0.11 0.00 0.00 0.00 0.00 23.12 20.89 2a38 s ALA 142 CO 0.00 0.59 1.53 -1.21 0.00 0.00 0.00 175.76 176.67 2a38 s GLU 143 N -1.37 4.18 -0.03 0.00 2.02 -1.26 -0.50 118.70 121.73 2a38 s GLU 143 Ca 0.23 2.47 -0.30 0.00 0.02 0.00 0.00 54.97 57.39 2a38 s GLU 143 Cb -0.14 -3.05 -0.04 0.00 0.10 0.00 0.00 34.13 31.00 2a38 s GLU 143 CO 0.12 -0.54 1.16 0.42 0.02 0.00 0.00 175.26 176.43 2a38 s ILE 144 N -0.07 4.32 -0.25 -1.63 1.01 -0.62 -4.83 121.20 119.13 2a38 s ILE 144 Ca 0.61 1.65 -0.14 0.00 0.00 0.00 0.00 60.65 62.77 2a38 s ILE 144 Cb -0.45 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 37.92 2a38 s ILE 144 CO 0.47 0.04 0.33 -1.58 0.00 0.00 0.00 174.94 174.20 2a38 s GLN 145 N 1.85 4.05 0.29 2.79 2.00 -1.26 -4.96 119.66 124.42 2a38 s GLN 145 Ca 0.55 -0.00 -0.29 0.00 -2.00 0.00 0.00 55.36 53.62 2a38 s GLN 145 Cb -0.25 -3.62 -0.10 0.00 0.80 0.00 0.00 33.01 29.85 2a38 s GLN 145 CO 0.24 -0.17 1.33 -1.54 -0.50 0.00 0.00 175.29 174.65 2a38 s SER 146 N 1.45 6.78 0.00 6.67 1.04 -1.26 -4.65 113.70 123.73 2a38 s SER 146 Ca 0.14 2.62 0.00 0.00 0.48 0.00 0.00 55.95 59.19 2a38 s SER 146 Cb -0.15 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.33 2a38 s SER 146 CO 0.09 -0.56 0.00 -1.54 0.98 0.00 0.00 173.24 172.21 2a38 n SER 147 N 1.49 0.00 0.18 7.02 3.41 -0.48 -4.94 113.62 120.30 2a38 n SER 147 Ca 0.03 -0.68 0.04 0.00 -0.26 0.00 0.00 58.87 57.99 2a38 n SER 147 Cb 0.42 0.00 0.32 0.00 -0.26 0.00 0.00 64.21 64.69 2a38 n SER 147 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2a38 h LEU 148 N 0.00 0.00 0.16 1.04 3.38 -2.00 -3.25 115.31 114.64 2a38 h LEU 148 Ca 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 2a38 h LEU 148 Cb 0.00 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.78 2a38 h LEU 148 CO 0.00 0.42 -0.94 0.44 0.09 0.00 0.00 178.44 178.45 2a38 h ASP 149 N 0.00 0.55 -3.64 -0.43 3.32 -1.94 -3.43 116.42 110.85 2a38 h ASP 149 Ca -0.00 -0.94 -0.68 0.00 0.02 0.00 0.00 57.03 55.43 2a38 h ASP 149 Cb 0.87 -0.18 -0.32 0.00 0.22 0.00 0.00 39.33 39.92 2a38 h ASP 149 CO 0.05 1.45 -0.72 -0.36 -1.72 0.00 0.00 179.24 177.95 2a38 s PHE 150 N -2.49 3.17 -0.17 4.55 0.40 -1.23 -2.72 117.98 119.49 2a38 s PHE 150 Ca -0.13 -1.68 -0.00 0.00 -0.60 0.00 0.00 56.93 54.52 2a38 s PHE 150 Cb 0.02 -2.09 0.00 0.00 0.51 0.00 0.00 43.02 41.46 2a38 s PHE 150 CO 0.85 -0.76 -0.15 -1.14 0.70 0.00 0.00 175.22 174.73 2a38 s GLN 151 N 1.30 3.18 -0.20 0.44 0.74 0.13 -1.39 119.66 123.86 2a38 s GLN 151 Ca -0.02 -0.76 -0.08 0.00 0.05 0.00 0.00 55.36 54.55 2a38 s GLN 151 Cb -0.18 -2.66 -0.04 0.00 1.10 0.00 0.00 33.01 31.23 2a38 s GLN 151 CO -0.02 -0.07 0.07 0.42 -0.55 0.00 0.00 175.29 175.14 2a38 s ILE 152 N 1.03 4.73 0.08 -2.34 1.01 -1.26 0.06 121.20 124.51 2a38 s ILE 152 Ca -0.01 -0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.62 2a38 s ILE 152 Cb -0.15 -3.16 -0.03 0.00 0.01 0.00 0.00 42.46 39.13 2a38 s ILE 152 CO -0.04 0.42 -0.09 -0.94 0.00 0.00 0.00 174.94 174.29 2a38 s SER 153 N 0.73 1.19 -0.01 3.58 1.04 -0.19 -4.98 113.70 115.06 2a38 s SER 153 Ca 0.04 -0.76 0.01 0.00 0.48 0.00 0.00 55.95 55.72 2a38 s SER 153 Cb -0.13 0.04 0.01 0.00 0.10 0.00 0.00 66.02 66.03 2a38 s SER 153 CO 0.02 -0.28 -0.02 -1.58 0.98 0.00 0.00 173.24 172.36 2a38 s GLN 154 N -2.57 0.32 -0.31 4.02 0.74 -1.26 -0.95 119.66 119.65 2a38 s GLN 154 Ca 0.01 -0.05 -0.02 0.00 0.05 0.00 0.00 55.36 55.35 2a38 s GLN 154 Cb -0.04 -0.38 0.12 0.00 1.10 0.00 0.00 33.01 33.81 2a38 s GLN 154 CO -0.01 -0.01 0.17 -1.21 -0.55 0.00 0.00 175.29 173.69 2a38 s GLU 155 N 0.36 0.31 6.49 1.67 0.41 -0.25 -5.02 118.70 122.67 2a38 s GLU 155 Ca -0.04 -0.73 0.00 0.00 -0.41 0.00 0.00 54.97 53.79 2a38 s GLU 155 Cb -0.07 -1.15 0.00 0.00 -1.78 0.00 0.00 34.13 31.14 2a38 s GLU 155 CO -0.01 -1.08 0.00 0.41 -0.49 0.00 0.00 175.26 174.09 2a38 n GLY 156 N 4.89 1.09 0.47 -1.39 0.00 -1.26 -2.44 105.19 106.55 2a38 n GLY 156 Ca -0.00 -0.55 0.09 0.00 0.00 0.00 0.00 46.02 45.55 2a38 n GLY 156 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2a38 n ASP 157 N 6.52 1.41 -4.60 1.61 8.00 -1.26 -4.83 116.55 123.39 2a38 n ASP 157 Ca 0.00 -1.73 -0.35 0.00 0.71 0.00 0.00 54.79 53.42 2a38 n ASP 157 Cb 0.00 -0.11 -0.10 0.00 -0.02 0.00 0.00 41.12 40.89 2a38 n ASP 157 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2a38 s LEU 158 N -1.44 3.78 -0.05 0.64 2.96 -1.02 -1.02 118.68 122.53 2a38 s LEU 158 Ca 0.29 0.03 0.05 0.00 -0.22 0.00 0.00 54.13 54.27 2a38 s LEU 158 Cb 0.15 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.86 2a38 s LEU 158 CO 0.23 0.12 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.87 2a38 s TYR 159 N 0.70 1.93 0.06 5.38 1.51 -0.45 -1.09 117.35 125.39 2a38 s TYR 159 Ca 0.04 -0.57 0.06 0.00 -1.01 0.00 0.00 57.07 55.59 2a38 s TYR 159 Cb -0.13 -1.29 -0.03 0.00 -0.11 0.00 0.00 41.96 40.41 2a38 s TYR 159 CO 0.02 -0.19 -0.16 -1.12 -1.11 0.00 0.00 175.55 172.99 2a38 s SER 160 N -0.01 1.96 -0.20 2.29 0.01 -0.13 -1.84 113.70 115.77 2a38 s SER 160 Ca -0.04 -0.55 0.01 0.00 1.31 0.00 0.00 55.95 56.68 2a38 s SER 160 Cb -0.12 -0.11 0.03 0.00 0.21 0.00 0.00 66.02 66.03 2a38 s SER 160 CO 0.03 0.03 -0.16 -0.22 0.41 0.00 0.00 173.24 173.32 2a38 s LEU 161 N -1.45 2.48 -0.20 2.44 2.96 0.59 -1.03 118.68 124.48 2a38 s LEU 161 Ca 0.02 -0.86 -0.03 0.00 -0.22 0.00 0.00 54.13 53.04 2a38 s LEU 161 Cb -0.09 -1.46 -0.01 0.00 0.50 0.00 0.00 46.19 45.13 2a38 s LEU 161 CO 0.02 -0.07 -0.07 -0.22 -1.32 0.00 0.00 176.35 174.70 2a38 s LEU 162 N 1.26 2.84 -0.52 -0.68 2.96 0.11 -0.96 118.68 123.69 2a38 s LEU 162 Ca 0.01 -0.38 -0.11 0.00 -0.22 0.00 0.00 54.13 53.43 2a38 s LEU 162 Cb -0.15 -1.70 0.13 0.00 0.50 0.00 0.00 46.19 44.97 2a38 s LEU 162 CO -0.10 0.03 0.42 -0.63 -1.32 0.00 0.00 176.35 174.75 2a38 s ILE 163 N 1.18 4.57 0.25 6.68 1.01 0.29 -0.69 121.20 134.48 2a38 s ILE 163 Ca 0.02 -1.80 -0.04 0.00 0.00 0.00 0.00 60.65 58.83 2a38 s ILE 163 Cb -0.14 -3.97 0.24 0.00 0.01 0.00 0.00 42.46 38.60 2a38 s ILE 163 CO -0.02 -0.82 1.70 0.00 0.00 0.00 0.00 174.94 175.79 2a38 h ALA 164 N 8.47 1.04 -3.15 9.38 0.00 -1.77 -1.67 119.26 131.57 2a38 h ALA 164 Ca -0.21 0.16 -0.44 0.00 0.00 0.00 0.00 54.91 54.41 2a38 h ALA 164 Cb 1.07 0.19 -0.40 0.00 0.00 0.00 0.00 17.79 18.65 2a38 h ALA 164 CO 0.90 -0.31 -0.75 -1.21 0.00 0.00 0.00 179.25 177.88 2a38 s GLU 165 N -6.02 0.14 -0.03 0.00 2.02 -1.26 -3.71 118.70 109.83 2a38 s GLU 165 Ca -0.12 -0.00 -0.10 0.00 0.02 0.00 0.00 54.97 54.76 2a38 s GLU 165 Cb 0.22 -1.50 -0.05 0.00 0.10 0.00 0.00 34.13 32.89 2a38 s GLU 165 CO 0.76 -0.56 0.29 0.00 0.02 0.00 0.00 175.26 175.76 2a38 s ALA 166 N 2.10 3.80 0.17 5.21 0.00 -0.18 -4.89 121.76 127.97 2a38 s ALA 166 Ca 0.03 -0.46 0.05 0.00 0.00 0.00 0.00 51.96 51.58 2a38 s ALA 166 Cb -0.15 -2.16 -0.05 0.00 0.00 0.00 0.00 23.12 20.76 2a38 s ALA 166 CO -0.07 0.57 -0.10 0.71 0.00 0.00 0.00 175.76 176.87 2a38 s TYR 167 N -1.15 1.42 0.37 0.00 1.51 -1.26 0.76 117.35 119.00 2a38 s TYR 167 Ca 0.23 -0.73 0.19 0.00 -1.01 0.00 0.00 57.07 55.74 2a38 s TYR 167 Cb -0.14 -0.72 1.19 0.00 -0.11 0.00 0.00 41.96 42.18 2a38 s TYR 167 CO 0.11 0.14 1.65 -1.35 -1.11 0.00 0.00 175.55 175.00 2a38 h PRO 168 N 2.68 0.24 0.00 -1.71 0.11 -1.93 0.57 132.00 131.95 2a38 h PRO 168 Ca -0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2a38 h PRO 168 Cb 1.20 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2a38 h PRO 168 CO 0.63 0.16 0.00 1.05 -0.21 0.00 0.00 178.00 179.63 2a38 h GLU 169 N 0.24 0.00 -0.01 1.05 4.11 -1.96 -0.61 114.58 117.39 2a38 h GLU 169 Ca 0.76 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.19 2a38 h GLU 169 Cb 1.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.16 2a38 h GLU 169 CO -0.56 0.00 -0.09 -0.25 0.07 0.00 0.00 179.01 178.17 2a38 n ASP 170 N -2.63 1.39 -4.77 3.06 8.00 0.20 -4.91 116.55 116.88 2a38 n ASP 170 Ca -0.02 -1.30 -0.36 0.00 0.71 0.00 0.00 54.79 53.81 2a38 n ASP 170 Cb 0.05 0.05 0.01 0.00 -0.02 0.00 0.00 41.12 41.21 2a38 n ASP 170 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2a38 s SER 171 N -2.18 5.70 0.00 -2.24 0.01 -0.24 -4.93 113.70 109.82 2a38 s SER 171 Ca 0.33 2.30 0.00 0.00 1.31 0.00 0.00 55.95 59.89 2a38 s SER 171 Cb 0.20 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.84 2a38 s SER 171 CO 0.40 -1.24 0.00 0.61 0.41 0.00 0.00 173.24 173.42 2a38 n GLY 172 N 0.36 -2.09 3.59 3.44 0.00 -0.20 -4.99 105.19 105.32 2a38 n GLY 172 Ca 0.11 -1.37 -0.39 0.00 0.00 0.00 0.00 46.02 44.37 2a38 n GLY 172 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2a38 s THR 173 N -2.22 5.22 -0.05 2.61 -4.23 -1.26 -0.44 115.64 115.27 2a38 s THR 173 Ca 0.00 0.40 -0.03 0.00 -1.18 0.00 0.00 61.69 60.88 2a38 s THR 173 Cb 0.00 -3.66 -0.04 0.00 1.34 0.00 0.00 72.50 70.15 2a38 s THR 173 CO 0.00 0.16 0.11 -0.31 -0.54 0.00 0.00 174.62 174.04 2a38 s TYR 174 N 1.97 3.41 0.12 3.99 1.51 0.29 -0.45 117.35 128.19 2a38 s TYR 174 Ca 0.12 0.33 -0.07 0.00 -1.01 0.00 0.00 57.07 56.45 2a38 s TYR 174 Cb -0.16 -1.82 -0.01 0.00 -0.11 0.00 0.00 41.96 39.85 2a38 s TYR 174 CO 0.10 0.61 0.18 -1.54 -1.11 0.00 0.00 175.55 173.80 2a38 s SER 175 N -1.45 0.16 -0.02 2.29 1.04 -0.45 -0.92 113.70 114.36 2a38 s SER 175 Ca 0.20 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.77 2a38 s SER 175 Cb -0.12 0.35 0.02 0.00 0.10 0.00 0.00 66.02 66.37 2a38 s SER 175 CO 0.10 -0.78 -0.00 0.54 0.98 0.00 0.00 173.24 174.08 2a38 s VAL 176 N -3.94 0.13 -0.09 5.02 0.11 -0.33 -0.28 120.40 121.02 2a38 s VAL 176 Ca 0.13 0.03 0.02 0.00 -2.93 0.00 0.00 61.98 59.23 2a38 s VAL 176 Cb 0.05 -0.18 -0.02 0.00 -1.53 0.00 0.00 36.38 34.70 2a38 s VAL 176 CO -0.05 0.09 -0.13 0.20 -3.33 0.00 0.00 175.10 171.89 2a38 s ASN 177 N 0.56 4.09 -0.12 3.54 0.01 -0.31 -2.01 114.94 120.70 2a38 s ASN 177 Ca -0.05 -0.23 0.02 0.00 -0.71 0.00 0.00 52.86 51.89 2a38 s ASN 177 Cb -0.08 -1.20 0.01 0.00 0.41 0.00 0.00 41.25 40.39 2a38 s ASN 177 CO -0.01 0.27 -0.20 0.00 -1.51 0.00 0.00 177.10 175.65 2a38 s ALA 178 N -0.27 2.02 0.02 0.60 0.00 -0.16 -1.34 121.76 122.62 2a38 s ALA 178 Ca 0.02 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.08 2a38 s ALA 178 Cb -0.13 -0.90 -0.01 0.00 0.00 0.00 0.00 23.12 22.08 2a38 s ALA 178 CO 0.03 0.01 -0.10 0.99 0.00 0.00 0.00 175.76 176.68 2a38 s THR 179 N 0.80 0.79 0.28 0.00 2.01 -0.57 -1.03 115.64 117.91 2a38 s THR 179 Ca -0.09 -0.71 -0.06 0.00 0.31 0.00 0.00 61.69 61.14 2a38 s THR 179 Cb -0.16 -0.72 -0.01 0.00 0.01 0.00 0.00 72.50 71.63 2a38 s THR 179 CO 0.00 0.02 0.40 0.54 -0.69 0.00 0.00 174.62 174.89 2a38 s ASN 180 N -0.78 0.40 0.64 3.53 4.22 -0.60 -0.54 114.94 121.82 2a38 s ASN 180 Ca 0.00 -1.26 0.34 0.00 -2.14 0.00 0.00 52.86 49.79 2a38 s ASN 180 Cb -0.06 0.57 1.85 0.00 1.28 0.00 0.00 41.25 44.89 2a38 s ASN 180 CO 0.00 -1.14 2.09 0.77 -2.04 0.00 0.00 177.10 176.78 2a38 h SER 181 N 2.27 0.00 -0.37 3.54 4.64 -1.92 -2.54 113.55 119.17 2a38 h SER 181 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2a38 h SER 181 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2a38 h SER 181 CO 0.40 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.69 2a38 n VAL 182 N -3.21 1.52 0.00 0.95 0.24 -1.26 -5.07 118.33 111.49 2a38 n VAL 182 Ca -0.01 -1.30 0.00 0.00 -2.04 0.00 0.00 64.34 60.99 2a38 n VAL 182 Cb 0.30 0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 2a38 n VAL 182 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2a38 n GLY 183 N 0.31 -0.22 3.27 7.63 0.00 -0.96 -4.49 105.19 110.73 2a38 n GLY 183 Ca 0.17 -1.44 -0.12 0.00 0.00 0.00 0.00 46.02 44.63 2a38 n GLY 183 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2a38 s ARG 184 N -1.81 0.84 0.06 1.61 1.70 -1.26 -1.56 118.95 118.53 2a38 s ARG 184 Ca 0.00 -0.49 -0.06 0.00 -0.47 0.00 0.00 55.73 54.71 2a38 s ARG 184 Cb 0.00 0.37 -0.01 0.00 -0.57 0.00 0.00 34.95 34.73 2a38 s ARG 184 CO 0.00 -0.28 0.12 0.00 -1.08 0.00 0.00 175.30 174.06 2a38 s ALA 185 N -2.59 -0.06 0.03 7.88 0.00 -0.20 -4.84 121.76 121.99 2a38 s ALA 185 Ca -0.05 -0.64 0.02 0.00 0.00 0.00 0.00 51.96 51.29 2a38 s ALA 185 Cb -0.01 0.33 -0.02 0.00 0.00 0.00 0.00 23.12 23.42 2a38 s ALA 185 CO -0.03 -0.39 -0.07 0.99 0.00 0.00 0.00 175.76 176.26 2a38 s THR 186 N -3.21 0.45 -0.04 0.00 2.01 -1.26 -0.99 115.64 112.60 2a38 s THR 186 Ca 0.00 -0.99 0.01 0.00 0.31 0.00 0.00 61.69 61.03 2a38 s THR 186 Cb 0.02 -0.52 0.02 0.00 0.01 0.00 0.00 72.50 72.03 2a38 s THR 186 CO -0.07 -0.37 -0.05 -0.55 -0.69 0.00 0.00 174.62 172.89 2a38 s SER 187 N -1.45 0.96 0.04 3.53 0.15 -0.85 -4.99 113.70 111.08 2a38 s SER 187 Ca -0.10 -0.14 0.06 0.00 0.70 0.00 0.00 55.95 56.47 2a38 s SER 187 Cb -0.09 -0.46 -0.02 0.00 -1.71 0.00 0.00 66.02 63.73 2a38 s SER 187 CO 0.00 -0.04 -0.16 -0.89 1.20 0.00 0.00 173.24 173.34 2a38 s THR 188 N 0.85 1.30 0.10 6.45 2.01 -1.26 -1.19 115.64 123.90 2a38 s THR 188 Ca -0.12 -1.06 -0.13 0.00 0.31 0.00 0.00 61.69 60.70 2a38 s THR 188 Cb -0.14 -1.16 0.02 0.00 0.01 0.00 0.00 72.50 71.23 2a38 s THR 188 CO 0.01 0.08 0.30 0.00 -0.69 0.00 0.00 174.62 174.31 2a38 s ALA 189 N -0.82 -0.59 -0.19 7.40 0.00 -0.10 -4.83 121.76 122.63 2a38 s ALA 189 Ca 0.04 -0.30 -0.05 0.00 0.00 0.00 0.00 51.96 51.64 2a38 s ALA 189 Cb -0.08 0.57 -0.03 0.00 0.00 0.00 0.00 23.12 23.58 2a38 s ALA 189 CO 0.01 -0.57 0.01 -2.00 0.00 0.00 0.00 175.76 173.21 2a38 s GLU 190 N -3.74 3.69 -0.20 0.00 2.56 -1.26 -0.54 118.70 119.21 2a38 s GLU 190 Ca 0.03 -0.49 -0.05 0.00 0.00 0.00 0.00 54.97 54.47 2a38 s GLU 190 Cb 0.03 -3.07 -0.02 0.00 2.00 0.00 0.00 34.13 33.06 2a38 s GLU 190 CO -0.11 0.10 -0.01 -1.17 -0.56 0.00 0.00 175.26 173.51 2a38 s LEU 191 N 0.78 3.19 -0.17 2.70 2.96 0.42 -1.42 118.68 127.14 2a38 s LEU 191 Ca 0.01 -0.22 0.01 0.00 -0.22 0.00 0.00 54.13 53.70 2a38 s LEU 191 Cb -0.14 -1.80 0.02 0.00 0.50 0.00 0.00 46.19 44.77 2a38 s LEU 191 CO 0.02 0.07 -0.18 -0.22 -1.32 0.00 0.00 176.35 174.72 2a38 s LEU 192 N 0.97 1.98 -0.20 -0.68 2.96 -0.54 -1.03 118.68 122.13 2a38 s LEU 192 Ca 0.01 -0.59 -0.03 0.00 -0.22 0.00 0.00 54.13 53.30 2a38 s LEU 192 Cb -0.14 -1.37 -0.01 0.00 0.50 0.00 0.00 46.19 45.17 2a38 s LEU 192 CO 0.01 -0.01 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.28 2a38 s VAL 193 N 1.32 3.27 -2.00 1.68 1.01 -1.26 -1.66 120.40 122.75 2a38 s VAL 193 Ca 0.04 -0.54 0.16 0.00 0.00 0.00 0.00 61.98 61.64 2a38 s VAL 193 Cb -0.13 -2.46 0.13 0.00 0.00 0.00 0.00 36.38 33.91 2a38 s VAL 193 CO -0.11 0.45 1.01 0.00 0.00 0.00 0.00 175.10 176.44