#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a38 n THR 2 N 0.00 0.00 -4.52 2.03 -1.04 -1.26 -5.05 114.28 104.44 2a38 n THR 2 Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.72 2a38 n THR 2 Cb 0.00 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.38 2a38 n THR 2 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2a38 s THR 3 N 0.00 2.28 -0.26 12.58 -4.23 -1.26 -4.78 115.64 119.96 2a38 s THR 3 Ca 0.00 -1.64 -0.02 0.00 -1.18 0.00 0.00 61.69 58.85 2a38 s THR 3 Cb 0.00 -1.98 0.12 0.00 1.34 0.00 0.00 72.50 71.98 2a38 s THR 3 CO 0.00 0.16 0.29 -1.10 -0.54 0.00 0.00 174.62 173.43 2a38 s GLN 4 N -1.85 0.29 0.81 3.99 1.11 -0.74 -4.96 119.66 118.30 2a38 s GLN 4 Ca 0.14 0.05 -0.15 0.00 0.01 0.00 0.00 55.36 55.41 2a38 s GLN 4 Cb -0.10 -0.78 -0.01 0.00 -1.01 0.00 0.00 33.01 31.11 2a38 s GLN 4 CO 0.05 -0.87 0.49 0.00 0.01 0.00 0.00 175.29 174.97 2a38 n ALA 5 N 5.32 -1.88 -1.77 6.09 0.00 -1.26 -1.41 120.51 125.61 2a38 n ALA 5 Ca -0.03 -0.37 -0.39 0.00 0.00 0.00 0.00 53.44 52.64 2a38 n ALA 5 Cb 0.48 -1.84 -0.00 0.00 0.00 0.00 0.00 19.45 18.09 2a38 n ALA 5 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2a38 s PRO 6 N -3.08 3.96 -0.02 0.00 0.02 -1.26 -4.43 135.00 130.18 2a38 s PRO 6 Ca 0.62 2.17 -0.13 0.00 0.02 0.00 0.00 61.00 63.68 2a38 s PRO 6 Cb -0.30 -2.75 0.02 0.00 0.02 0.00 0.00 34.50 31.49 2a38 s PRO 6 CO 0.61 -0.51 0.29 0.95 -0.33 0.00 0.00 177.00 178.01 2a38 s THR 7 N -1.26 0.05 -0.52 0.99 -4.23 -0.75 -4.47 115.64 105.46 2a38 s THR 7 Ca 0.57 -0.45 -0.18 0.00 -1.18 0.00 0.00 61.69 60.44 2a38 s THR 7 Cb -0.38 -0.57 0.07 0.00 1.34 0.00 0.00 72.50 72.96 2a38 s THR 7 CO 0.49 -0.25 0.59 -0.36 -0.54 0.00 0.00 174.62 174.55 2a38 s PHE 8 N -1.18 3.09 0.03 3.99 0.40 -1.26 -0.48 117.98 122.57 2a38 s PHE 8 Ca -0.12 -0.73 0.29 0.00 -0.60 0.00 0.00 56.93 55.77 2a38 s PHE 8 Cb -0.05 -3.56 1.06 0.00 0.51 0.00 0.00 43.02 40.97 2a38 s PHE 8 CO 0.03 -1.03 1.87 1.79 0.70 0.00 0.00 175.22 178.58 2a38 h THR 9 N 5.85 0.19 -2.16 0.64 1.35 -1.72 -3.37 112.91 113.69 2a38 h THR 9 Ca -0.28 -0.80 -0.34 0.00 -0.55 0.00 0.00 66.41 64.43 2a38 h THR 9 Cb 1.10 1.68 -0.33 0.00 -1.73 0.00 0.00 68.15 68.86 2a38 h THR 9 CO 0.98 0.08 -0.65 -1.10 -0.25 0.00 0.00 175.52 174.57 2a38 s GLN 10 N -3.58 0.36 1.04 4.72 -0.21 -1.13 -4.99 119.66 115.87 2a38 s GLN 10 Ca 0.02 -0.25 -0.15 0.00 0.02 0.00 0.00 55.36 55.00 2a38 s GLN 10 Cb 0.09 -0.69 0.21 0.00 1.00 0.00 0.00 33.01 33.62 2a38 s GLN 10 CO 0.59 -1.05 1.13 -1.25 -2.12 0.00 0.00 175.29 172.59 2a38 s PRO 11 N 2.23 0.04 0.51 2.91 0.04 -1.26 -1.02 135.00 138.45 2a38 s PRO 11 Ca 0.10 0.17 -0.21 0.00 0.04 0.00 0.00 61.00 61.09 2a38 s PRO 11 Cb -0.14 -1.72 -0.06 0.00 0.04 0.00 0.00 34.50 32.61 2a38 s PRO 11 CO -0.30 -2.91 1.21 -0.51 0.04 0.00 0.00 177.00 174.53 2a38 s LEU 12 N -6.47 3.88 0.08 -3.56 1.43 -1.26 -4.76 118.68 108.03 2a38 s LEU 12 Ca 0.68 2.40 0.09 0.00 -1.03 0.00 0.00 54.13 56.26 2a38 s LEU 12 Cb -0.13 -4.36 -0.04 0.00 0.03 0.00 0.00 46.19 41.70 2a38 s LEU 12 CO 0.56 -1.21 -0.21 -1.10 0.23 0.00 0.00 176.35 174.62 2a38 s GLN 13 N -2.93 1.82 0.34 1.70 -0.21 -1.26 -4.78 119.66 114.34 2a38 s GLN 13 Ca 0.69 -1.13 -0.27 0.00 0.02 0.00 0.00 55.36 54.66 2a38 s GLN 13 Cb -0.31 -2.08 -0.09 0.00 1.00 0.00 0.00 33.01 31.53 2a38 s GLN 13 CO 0.36 0.50 1.18 -1.12 -2.12 0.00 0.00 175.29 174.09 2a38 s SER 14 N -1.74 6.83 -0.13 5.90 0.01 -1.26 -4.71 113.70 118.61 2a38 s SER 14 Ca 0.15 2.40 0.02 0.00 1.31 0.00 0.00 55.95 59.83 2a38 s SER 14 Cb -0.10 -2.63 0.01 0.00 0.21 0.00 0.00 66.02 63.51 2a38 s SER 14 CO 0.06 -0.46 -0.18 0.54 0.41 0.00 0.00 173.24 173.61 2a38 s VAL 15 N -1.27 1.77 -0.26 3.43 0.11 -0.38 -4.95 120.40 118.85 2a38 s VAL 15 Ca 0.51 -0.80 -0.11 0.00 -2.93 0.00 0.00 61.98 58.65 2a38 s VAL 15 Cb -0.33 -1.59 -0.05 0.00 -1.53 0.00 0.00 36.38 32.88 2a38 s VAL 15 CO 0.43 0.49 0.19 -0.69 -3.33 0.00 0.00 175.10 172.19 2a38 s VAL 16 N 0.93 5.32 0.18 2.04 1.01 -1.26 -1.39 120.40 127.24 2a38 s VAL 16 Ca -0.06 0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.17 2a38 s VAL 16 Cb -0.15 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 2a38 s VAL 16 CO -0.02 0.29 -0.08 0.54 0.00 0.00 0.00 175.10 175.82 2a38 s VAL 17 N 1.46 1.25 0.20 2.92 0.11 0.14 -4.94 120.40 121.54 2a38 s VAL 17 Ca 0.08 -2.08 -0.21 0.00 -2.93 0.00 0.00 61.98 56.83 2a38 s VAL 17 Cb -0.15 -2.03 -0.08 0.00 -1.53 0.00 0.00 36.38 32.59 2a38 s VAL 17 CO 0.08 -0.60 0.73 -0.22 -3.33 0.00 0.00 175.10 171.77 2a38 s LEU 18 N -3.24 4.42 0.29 2.54 2.96 -1.26 0.12 118.68 124.50 2a38 s LEU 18 Ca 0.21 1.48 -0.29 0.00 -0.22 0.00 0.00 54.13 55.31 2a38 s LEU 18 Cb 0.03 -3.48 -0.14 0.00 0.50 0.00 0.00 46.19 43.10 2a38 s LEU 18 CO 0.04 0.09 1.11 -0.62 -1.32 0.00 0.00 176.35 175.65 2a38 n GLU 19 N 1.00 1.54 -0.70 1.98 1.02 -0.59 -2.28 120.64 122.60 2a38 n GLU 19 Ca -0.04 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.65 2a38 n GLU 19 Cb 0.50 -1.99 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 2a38 n GLU 19 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2a38 n GLY 20 N 1.27 1.27 3.92 0.62 0.00 0.03 -5.00 105.19 107.31 2a38 n GLY 20 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 2a38 n GLY 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a38 s SER 21 N -3.06 5.86 0.14 1.61 1.04 -0.97 -4.56 113.70 113.76 2a38 s SER 21 Ca 0.00 -0.18 -0.30 0.00 0.48 0.00 0.00 55.95 55.95 2a38 s SER 21 Cb 0.00 -1.42 -0.07 0.00 0.10 0.00 0.00 66.02 64.62 2a38 s SER 21 CO 0.00 -0.21 1.23 -0.89 0.98 0.00 0.00 173.24 174.35 2a38 s THR 22 N -2.13 3.63 0.04 2.02 2.01 -1.07 -2.24 115.64 117.89 2a38 s THR 22 Ca 0.38 1.28 0.07 0.00 0.31 0.00 0.00 61.69 63.73 2a38 s THR 22 Cb -0.08 -3.82 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 2a38 s THR 22 CO 0.28 0.16 -0.21 0.00 -0.69 0.00 0.00 174.62 174.16 2a38 s ALA 23 N 0.42 1.79 -0.03 7.40 0.00 -0.59 -4.98 121.76 125.77 2a38 s ALA 23 Ca 0.56 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 51.49 2a38 s ALA 23 Cb -0.33 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.44 2a38 s ALA 23 CO 0.34 0.41 -0.09 0.99 0.00 0.00 0.00 175.76 177.40 2a38 s THR 24 N -0.77 0.82 -0.08 0.00 2.01 -1.26 -0.40 115.64 115.96 2a38 s THR 24 Ca 0.08 -0.37 -0.01 0.00 0.31 0.00 0.00 61.69 61.69 2a38 s THR 24 Cb -0.09 -0.74 -0.03 0.00 0.01 0.00 0.00 72.50 71.65 2a38 s THR 24 CO 0.02 0.26 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.83 2a38 s PHE 25 N 0.25 3.10 -0.02 4.92 0.40 0.35 -4.97 117.98 122.00 2a38 s PHE 25 Ca -0.04 0.13 -0.02 0.00 -0.60 0.00 0.00 56.93 56.40 2a38 s PHE 25 Cb -0.09 -1.78 0.00 0.00 0.51 0.00 0.00 43.02 41.66 2a38 s PHE 25 CO 0.01 0.41 0.06 -2.00 0.70 0.00 0.00 175.22 174.40 2a38 s GLU 26 N -0.81 0.12 -0.00 0.44 2.12 -1.26 -1.55 118.70 117.75 2a38 s GLU 26 Ca 0.12 0.01 -0.08 0.00 0.36 0.00 0.00 54.97 55.38 2a38 s GLU 26 Cb -0.11 0.05 0.00 0.00 0.26 0.00 0.00 34.13 34.33 2a38 s GLU 26 CO 0.02 -0.02 0.16 0.00 -0.54 0.00 0.00 175.26 174.88 2a38 s ALA 27 N -0.16 -0.38 -0.21 6.30 0.00 -0.57 -4.46 121.76 122.29 2a38 s ALA 27 Ca -0.02 -0.06 -0.04 0.00 0.00 0.00 0.00 51.96 51.83 2a38 s ALA 27 Cb -0.02 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 2a38 s ALA 27 CO 0.00 -0.21 -0.02 -1.01 0.00 0.00 0.00 175.76 174.52 2a38 s HIS 28 N -1.31 2.99 -0.04 0.00 3.76 -0.19 -0.87 115.29 119.63 2a38 s HIS 28 Ca -0.14 -0.69 0.03 0.00 -0.15 0.00 0.00 55.06 54.12 2a38 s HIS 28 Cb -0.07 -2.09 -0.03 0.00 1.11 0.00 0.00 32.58 31.50 2a38 s HIS 28 CO 0.02 -0.39 -0.12 0.42 -0.85 0.00 0.00 174.74 173.82 2a38 s ILE 29 N 1.24 3.25 0.25 0.60 1.01 0.14 -1.83 121.20 125.86 2a38 s ILE 29 Ca 0.03 -0.72 0.10 0.00 0.00 0.00 0.00 60.65 60.06 2a38 s ILE 29 Cb -0.14 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 2a38 s ILE 29 CO -0.00 0.54 -0.06 -0.44 0.00 0.00 0.00 174.94 174.99 2a38 s SER 30 N -0.90 4.32 0.00 3.58 0.01 0.36 -4.63 113.70 116.44 2a38 s SER 30 Ca 0.13 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.70 2a38 s SER 30 Cb -0.11 -0.73 0.00 0.00 0.21 0.00 0.00 66.02 65.40 2a38 s SER 30 CO 0.02 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.31 2a38 n GLY 31 N -0.63 4.40 3.22 3.44 0.00 -1.26 -1.81 105.19 112.55 2a38 n GLY 31 Ca -0.07 -1.39 -0.11 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.00 -0.54 1.03 1.61 5.36 -0.50 -4.11 117.98 118.84 2a38 s PHE 32 Ca 0.00 1.17 -0.13 0.00 -0.96 0.00 0.00 56.93 57.01 2a38 s PHE 32 Cb 0.00 0.21 0.17 0.00 -0.34 0.00 0.00 43.02 43.06 2a38 s PHE 32 CO 0.00 -0.31 0.80 -2.30 -1.46 0.00 0.00 175.22 171.95 2a38 n PRO 33 N 4.21 -1.22 -1.71 10.12 -0.02 -1.26 -1.79 135.00 143.33 2a38 n PRO 33 Ca -0.23 -0.31 -0.43 0.00 -2.02 0.00 0.00 63.50 60.51 2a38 n PRO 33 Cb 0.55 -2.12 -0.03 0.00 -0.02 0.00 0.00 33.50 31.88 2a38 n PRO 33 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2a38 n VAL 34 N -4.38 0.03 -1.28 -1.45 0.24 -1.26 -4.88 118.33 105.35 2a38 n VAL 34 Ca 0.07 -0.01 -0.32 0.00 -2.04 0.00 0.00 64.34 62.04 2a38 n VAL 34 Cb 0.54 -1.93 0.09 0.00 -1.47 0.00 0.00 33.84 31.08 2a38 n VAL 34 CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 2a38 s PRO 35 N 1.26 2.18 -0.18 7.34 0.02 -1.26 -4.92 135.00 139.44 2a38 s PRO 35 Ca 0.76 1.30 -0.10 0.00 0.02 0.00 0.00 61.00 62.97 2a38 s PRO 35 Cb -0.53 -1.88 -0.05 0.00 0.02 0.00 0.00 34.50 32.06 2a38 s PRO 35 CO 0.34 -1.72 0.16 -1.21 -0.33 0.00 0.00 177.00 174.24 2a38 s GLU 36 N -4.66 4.13 0.21 5.54 2.02 0.28 -4.82 118.70 121.40 2a38 s GLU 36 Ca 0.64 -0.15 0.09 0.00 0.02 0.00 0.00 54.97 55.56 2a38 s GLU 36 Cb -0.19 -3.40 -0.04 0.00 0.10 0.00 0.00 34.13 30.60 2a38 s GLU 36 CO 0.53 0.34 -0.04 0.14 0.02 0.00 0.00 175.26 176.24 2a38 s VAL 37 N 0.24 3.39 -0.09 2.63 -7.23 -1.26 -1.25 120.40 116.83 2a38 s VAL 37 Ca 0.10 -1.70 -0.10 0.00 -1.81 0.00 0.00 61.98 58.48 2a38 s VAL 37 Cb -0.11 -2.73 0.02 0.00 0.56 0.00 0.00 36.38 34.12 2a38 s VAL 37 CO -0.00 -0.20 0.27 -0.55 -0.31 0.00 0.00 175.10 174.30 2a38 s SER 38 N -3.14 -0.26 -0.03 4.85 0.15 -0.26 -4.98 113.70 110.02 2a38 s SER 38 Ca 0.28 0.47 -0.01 0.00 0.70 0.00 0.00 55.95 57.39 2a38 s SER 38 Cb -0.08 0.52 -0.04 0.00 -1.71 0.00 0.00 66.02 64.71 2a38 s SER 38 CO 0.18 -0.14 0.05 0.26 1.20 0.00 0.00 173.24 174.79 2a38 s TRP 39 N -0.06 3.25 0.01 3.44 0.52 -1.26 -0.96 118.94 123.88 2a38 s TRP 39 Ca -0.02 0.21 0.01 0.00 0.02 0.00 0.00 56.10 56.32 2a38 s TRP 39 Cb -0.02 -1.76 -0.01 0.00 -1.15 0.00 0.00 33.47 30.53 2a38 s TRP 39 CO 0.01 0.53 -0.04 -0.06 0.02 0.00 0.00 176.95 177.41 2a38 s PHE 40 N -1.09 0.38 -0.25 -1.98 0.40 0.50 -0.50 117.98 115.43 2a38 s PHE 40 Ca 0.19 -0.21 0.02 0.00 -0.60 0.00 0.00 56.93 56.33 2a38 s PHE 40 Cb -0.12 -0.24 0.05 0.00 0.51 0.00 0.00 43.02 43.22 2a38 s PHE 40 CO 0.10 -0.04 -0.11 0.50 0.70 0.00 0.00 175.22 176.37 2a38 s ARG 41 N -0.57 2.42 -1.08 0.44 3.52 -0.38 -0.21 118.95 123.09 2a38 s ARG 41 Ca -0.03 -1.24 -0.16 0.00 -0.13 0.00 0.00 55.73 54.17 2a38 s ARG 41 Cb -0.04 -2.89 -0.02 0.00 -1.56 0.00 0.00 34.95 30.44 2a38 s ARG 41 CO -0.00 -0.51 0.80 -0.25 -0.81 0.00 0.00 175.30 174.52 2a38 n ASP 42 N 4.50 -5.68 -3.78 -2.12 8.00 -1.17 -2.75 116.55 113.55 2a38 n ASP 42 Ca -0.15 -0.90 -0.29 0.00 0.71 0.00 0.00 54.79 54.16 2a38 n ASP 42 Cb 0.44 -3.66 0.02 0.00 -0.02 0.00 0.00 41.12 37.89 2a38 n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a38 n GLY 43 N -1.63 -0.67 3.17 0.44 0.00 -1.26 -4.98 105.19 100.26 2a38 n GLY 43 Ca -0.09 0.32 -0.01 0.00 0.00 0.00 0.00 46.02 46.24 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 -6.20 0.50 0.28 1.61 -0.21 -1.11 -5.13 119.66 109.40 2a38 s GLN 44 Ca 0.28 0.96 -0.28 0.00 0.02 0.00 0.00 55.36 56.34 2a38 s GLN 44 Cb -0.10 0.33 -0.14 0.00 1.00 0.00 0.00 33.01 34.10 2a38 s GLN 44 CO 0.87 -0.53 1.00 0.28 -2.12 0.00 0.00 175.29 174.78 2a38 n VAL 45 N 5.41 1.96 -3.82 1.09 0.31 -1.26 -1.25 118.33 120.78 2a38 n VAL 45 Ca -0.04 -0.49 -0.35 0.00 -0.01 0.00 0.00 64.34 63.45 2a38 n VAL 45 Cb 0.50 -0.96 -0.08 0.00 -0.91 0.00 0.00 33.84 32.39 2a38 n VAL 45 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2a38 s ILE 46 N -1.02 5.35 0.23 2.52 1.01 0.35 -4.82 121.20 124.81 2a38 s ILE 46 Ca 0.59 0.16 -0.06 0.00 0.00 0.00 0.00 60.65 61.34 2a38 s ILE 46 Cb -0.71 -3.40 -0.02 0.00 0.01 0.00 0.00 42.46 38.33 2a38 s ILE 46 CO 0.60 0.50 0.31 -0.94 0.00 0.00 0.00 174.94 175.40 2a38 s SER 47 N -0.06 0.12 0.12 3.58 1.04 -1.26 -4.76 113.70 112.48 2a38 s SER 47 Ca 0.10 -1.19 0.14 0.00 0.48 0.00 0.00 55.95 55.48 2a38 s SER 47 Cb -0.11 0.49 0.66 0.00 0.10 0.00 0.00 66.02 67.15 2a38 s SER 47 CO -0.00 -1.01 1.45 0.35 0.98 0.00 0.00 173.24 175.01 2a38 n THR 48 N -0.34 1.21 -0.08 2.02 -2.24 -1.26 -1.03 114.28 112.55 2a38 n THR 48 Ca 0.00 0.39 -0.18 0.00 -2.27 0.00 0.00 64.05 62.00 2a38 n THR 48 Cb 0.64 -1.29 -0.12 0.00 -2.10 0.00 0.00 70.33 67.45 2a38 n THR 48 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2a38 h SER 49 N 0.00 0.01 0.67 3.42 0.02 -1.98 -3.17 113.55 112.53 2a38 h SER 49 Ca 0.00 -0.75 -0.10 0.00 -0.84 0.00 0.00 61.79 60.09 2a38 h SER 49 Cb 0.17 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 2a38 h SER 49 CO 0.00 1.26 -0.49 0.71 -1.14 0.00 0.00 176.83 177.17 2a38 h THR 50 N -0.98 1.20 -2.67 -2.27 1.35 -1.83 -3.39 112.91 104.32 2a38 h THR 50 Ca -0.18 -1.76 -0.56 0.00 -0.55 0.00 0.00 66.41 63.35 2a38 h THR 50 Cb 1.18 1.99 -0.39 0.00 -1.73 0.00 0.00 68.15 69.19 2a38 h THR 50 CO -0.10 0.48 -0.82 -0.22 -0.25 0.00 0.00 175.52 174.60 2a38 s LEU 51 N -7.47 0.88 -0.01 3.87 0.20 -0.20 -4.96 118.68 110.99 2a38 s LEU 51 Ca -0.01 -1.88 -0.33 0.00 0.69 0.00 0.00 54.13 52.60 2a38 s LEU 51 Cb 0.12 -0.40 -0.11 0.00 -0.43 0.00 0.00 46.19 45.37 2a38 s LEU 51 CO 0.73 -0.35 1.87 -2.65 -0.29 0.00 0.00 176.35 175.65 2a38 n PRO 52 N 4.46 2.40 -0.07 0.98 -0.02 -1.20 -2.18 135.00 139.38 2a38 n PRO 52 Ca 0.06 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 2a38 n PRO 52 Cb 0.39 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.12 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 4.33 0.78 3.78 -1.23 0.00 -1.26 -4.85 105.19 106.73 2a38 n GLY 53 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.34 2.22 -0.25 1.61 0.11 -0.93 -4.39 120.40 116.43 2a38 s VAL 54 Ca 0.00 0.22 0.02 0.00 -2.93 0.00 0.00 61.98 59.29 2a38 s VAL 54 Cb 0.00 -3.14 0.05 0.00 -1.53 0.00 0.00 36.38 31.76 2a38 s VAL 54 CO 0.00 0.05 -0.12 -1.10 -3.33 0.00 0.00 175.10 170.60 2a38 s GLN 55 N -2.05 2.45 -0.00 1.54 -0.21 0.00 -4.78 119.66 116.61 2a38 s GLN 55 Ca 0.52 -1.21 0.04 0.00 0.02 0.00 0.00 55.36 54.73 2a38 s GLN 55 Cb -0.45 -2.85 -0.03 0.00 1.00 0.00 0.00 33.01 30.68 2a38 s GLN 55 CO 0.60 -0.49 -0.09 0.42 -2.12 0.00 0.00 175.29 173.61 2a38 s ILE 56 N 1.17 3.44 0.20 1.08 1.01 -1.26 -0.86 121.20 125.98 2a38 s ILE 56 Ca -0.05 -0.82 -0.20 0.00 0.00 0.00 0.00 60.65 59.57 2a38 s ILE 56 Cb -0.18 -2.47 0.04 0.00 0.01 0.00 0.00 42.46 39.86 2a38 s ILE 56 CO -0.06 0.42 0.59 -0.94 0.00 0.00 0.00 174.94 174.95 2a38 s SER 57 N -1.31 -0.38 -0.30 3.58 1.04 -0.87 -5.01 113.70 110.45 2a38 s SER 57 Ca 0.16 -0.32 -0.12 0.00 0.48 0.00 0.00 55.95 56.15 2a38 s SER 57 Cb -0.11 0.62 0.13 0.00 0.10 0.00 0.00 66.02 66.76 2a38 s SER 57 CO 0.06 -1.08 0.72 0.12 0.98 0.00 0.00 173.24 174.04 2a38 s PHE 58 N -3.83 -1.18 -0.19 5.02 5.36 -1.26 -1.74 117.98 120.15 2a38 s PHE 58 Ca 0.06 2.09 -0.28 0.00 -0.96 0.00 0.00 56.93 57.84 2a38 s PHE 58 Cb -0.02 0.71 0.11 0.00 -0.34 0.00 0.00 43.02 43.48 2a38 s PHE 58 CO -0.05 -0.59 0.92 -1.54 -1.46 0.00 0.00 175.22 172.50 2a38 s SER 59 N 2.61 -0.49 -1.46 6.13 1.04 -1.04 -4.95 113.70 115.53 2a38 s SER 59 Ca -0.06 0.74 -0.10 0.00 0.48 0.00 0.00 55.95 57.01 2a38 s SER 59 Cb -0.10 0.68 0.05 0.00 0.10 0.00 0.00 66.02 66.75 2a38 s SER 59 CO -0.19 -0.32 0.83 0.47 0.98 0.00 0.00 173.24 175.02 2a38 n ASP 60 N 1.49 -5.15 0.00 7.02 8.00 -1.26 -1.95 116.55 124.69 2a38 n ASP 60 Ca -0.13 -0.55 0.00 0.00 0.71 0.00 0.00 54.79 54.82 2a38 n ASP 60 Cb 0.57 -4.14 0.00 0.00 -0.02 0.00 0.00 41.12 37.53 2a38 n ASP 60 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a38 n GLY 61 N -1.60 0.30 3.24 0.44 0.00 -1.26 -4.97 105.19 101.34 2a38 n GLY 61 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 2a38 n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2a38 s ARG 62 N -0.83 3.23 -0.14 1.61 0.52 -0.82 0.25 118.95 122.76 2a38 s ARG 62 Ca 0.00 -0.71 -0.05 0.00 -0.52 0.00 0.00 55.73 54.45 2a38 s ARG 62 Cb 0.00 -2.82 -0.04 0.00 0.52 0.00 0.00 34.95 32.62 2a38 s ARG 62 CO 0.00 -0.17 0.03 0.00 0.02 0.00 0.00 175.30 175.18 2a38 s ALA 63 N 1.33 3.33 0.05 2.13 0.00 -0.05 -2.50 121.76 126.04 2a38 s ALA 63 Ca 0.04 -0.77 0.06 0.00 0.00 0.00 0.00 51.96 51.29 2a38 s ALA 63 Cb -0.14 -1.71 -0.02 0.00 0.00 0.00 0.00 23.12 21.25 2a38 s ALA 63 CO -0.06 0.35 -0.16 0.15 0.00 0.00 0.00 175.76 176.04 2a38 s LYS 64 N -0.15 1.03 -0.11 0.00 1.02 -0.71 -1.51 119.74 119.32 2a38 s LYS 64 Ca 0.06 -0.85 -0.02 0.00 0.02 0.00 0.00 55.97 55.17 2a38 s LYS 64 Cb -0.12 -1.09 0.04 0.00 -0.52 0.00 0.00 37.83 36.14 2a38 s LYS 64 CO 0.02 0.27 0.03 -1.17 -0.92 0.00 0.00 175.35 173.57 2a38 s LEU 65 N -1.28 0.63 -0.11 3.17 1.98 -0.60 -2.05 118.68 120.43 2a38 s LEU 65 Ca 0.03 -0.29 0.02 0.00 -2.89 0.00 0.00 54.13 51.00 2a38 s LEU 65 Cb -0.08 -0.41 -0.01 0.00 0.66 0.00 0.00 46.19 46.35 2a38 s LEU 65 CO 0.02 -0.24 -0.20 -0.89 -1.89 0.00 0.00 176.35 173.15 2a38 s THR 66 N 1.99 2.45 -0.26 3.68 2.01 -0.04 -0.50 115.64 124.98 2a38 s THR 66 Ca 0.03 -0.88 -0.06 0.00 0.31 0.00 0.00 61.69 61.09 2a38 s THR 66 Cb -0.14 -1.97 -0.01 0.00 0.01 0.00 0.00 72.50 70.38 2a38 s THR 66 CO -0.06 0.55 0.05 -0.63 -0.69 0.00 0.00 174.62 173.84 2a38 s ILE 67 N 0.32 4.03 0.10 1.82 1.01 0.47 -0.82 121.20 128.13 2a38 s ILE 67 Ca -0.15 -0.38 -0.26 0.00 0.00 0.00 0.00 60.65 59.86 2a38 s ILE 67 Cb -0.17 -2.93 -0.09 0.00 0.01 0.00 0.00 42.46 39.28 2a38 s ILE 67 CO 0.08 0.29 1.43 -0.65 0.00 0.00 0.00 174.94 176.08 2a38 h PRO 68 N 8.21 -0.36 -2.38 2.79 0.11 -1.86 -1.56 132.00 136.96 2a38 h PRO 68 Ca -0.37 0.02 -0.53 0.00 0.11 0.00 0.00 66.00 65.23 2a38 h PRO 68 Cb 1.16 0.08 -0.37 0.00 0.11 0.00 0.00 31.00 31.98 2a38 h PRO 68 CO 0.59 -0.24 -0.84 0.00 -0.21 0.00 0.00 178.00 177.30 2a38 s ALA 69 N -5.23 0.71 0.46 -0.75 0.00 -1.26 -2.61 121.76 113.07 2a38 s ALA 69 Ca -0.12 -1.81 -0.24 0.00 0.00 0.00 0.00 51.96 49.80 2a38 s ALA 69 Cb 0.06 -1.71 -0.09 0.00 0.00 0.00 0.00 23.12 21.39 2a38 s ALA 69 CO 0.48 -2.09 1.19 1.33 0.00 0.00 0.00 175.76 176.67 2a38 n VAL 70 N 3.77 2.87 -4.35 0.00 0.24 -0.95 -4.70 118.33 115.21 2a38 n VAL 70 Ca 0.16 -0.50 -0.25 0.00 -2.04 0.00 0.00 64.34 61.71 2a38 n VAL 70 Cb 0.41 -1.44 -0.09 0.00 -1.47 0.00 0.00 33.84 31.26 2a38 n VAL 70 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2a38 s THR 71 N -1.27 2.52 0.52 3.34 -4.23 -1.26 -0.79 115.64 114.47 2a38 s THR 71 Ca 0.65 -1.96 0.23 0.00 -1.18 0.00 0.00 61.69 59.43 2a38 s THR 71 Cb -0.49 -2.82 0.37 0.00 1.34 0.00 0.00 72.50 70.90 2a38 s THR 71 CO 0.55 -0.16 2.01 0.50 -0.54 0.00 0.00 174.62 176.97 2a38 h LYS 72 N 1.78 0.06 0.00 3.99 1.63 -1.95 0.15 116.57 122.23 2a38 h LYS 72 Ca -0.43 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.37 2a38 h LYS 72 Cb 1.25 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.87 2a38 h LYS 72 CO 0.68 0.04 0.00 0.00 -3.45 0.00 0.00 179.45 176.72 2a38 h ALA 73 N 1.76 1.00 -0.00 5.00 0.00 -1.98 -3.12 119.26 121.92 2a38 h ALA 73 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2a38 h ALA 73 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2a38 h ALA 73 CO -0.02 0.00 -0.10 0.09 0.00 0.00 0.00 179.25 179.22 2a38 n ASN 74 N -2.67 0.17 -4.76 0.00 5.03 0.54 -4.88 115.26 108.70 2a38 n ASN 74 Ca 0.02 0.04 -0.33 0.00 0.87 0.00 0.00 54.58 55.18 2a38 n ASN 74 Cb 0.32 -0.25 0.07 0.00 -1.02 0.00 0.00 39.78 38.90 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 -2.81 4.77 0.00 6.41 1.04 -1.18 -4.87 113.70 117.05 2a38 s SER 75 Ca 0.19 2.04 0.00 0.00 0.48 0.00 0.00 55.95 58.67 2a38 s SER 75 Cb 0.19 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.76 2a38 s SER 75 CO 0.53 -1.86 0.00 0.61 0.98 0.00 0.00 173.24 173.50 2a38 n GLY 76 N -0.44 0.86 3.76 7.32 0.00 -0.19 -4.94 105.19 111.57 2a38 n GLY 76 Ca 0.11 -2.04 -0.39 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.26 4.78 0.00 1.61 0.52 -1.26 -1.05 118.95 122.29 2a38 s ARG 77 Ca 0.00 1.43 0.05 0.00 -0.52 0.00 0.00 55.73 56.68 2a38 s ARG 77 Cb 0.00 -3.17 -0.01 0.00 0.52 0.00 0.00 34.95 32.28 2a38 s ARG 77 CO 0.00 0.47 -0.15 0.71 0.02 0.00 0.00 175.30 176.36 2a38 s TYR 78 N -1.27 1.29 0.10 -0.53 1.51 0.26 -3.06 117.35 115.64 2a38 s TYR 78 Ca 0.43 -0.27 0.02 0.00 -1.01 0.00 0.00 57.07 56.23 2a38 s TYR 78 Cb -0.24 -0.81 -0.04 0.00 -0.11 0.00 0.00 41.96 40.76 2a38 s TYR 78 CO 0.30 -0.00 -0.07 -1.54 -1.11 0.00 0.00 175.55 173.12 2a38 s SER 79 N -0.57 1.20 -0.04 2.29 1.04 0.71 -1.15 113.70 117.18 2a38 s SER 79 Ca 0.05 -0.95 0.02 0.00 0.48 0.00 0.00 55.95 55.55 2a38 s SER 79 Cb -0.06 0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.14 2a38 s SER 79 CO -0.00 -0.41 -0.10 -0.22 0.98 0.00 0.00 173.24 173.49 2a38 s LEU 80 N -2.86 1.68 -0.08 2.42 2.96 -0.13 -0.37 118.68 122.29 2a38 s LEU 80 Ca 0.10 -0.23 0.05 0.00 -0.22 0.00 0.00 54.13 53.82 2a38 s LEU 80 Cb 0.03 -0.67 -0.00 0.00 0.50 0.00 0.00 46.19 46.04 2a38 s LEU 80 CO -0.03 0.05 -0.24 -0.54 -1.32 0.00 0.00 176.35 174.26 2a38 s LYS 81 N 0.45 2.85 -0.07 1.98 1.02 -0.14 -1.63 119.74 124.21 2a38 s LYS 81 Ca -0.08 -0.88 0.02 0.00 0.02 0.00 0.00 55.97 55.05 2a38 s LYS 81 Cb -0.12 -2.24 -0.02 0.00 -0.52 0.00 0.00 37.83 34.93 2a38 s LYS 81 CO 0.02 0.25 -0.13 0.00 -0.92 0.00 0.00 175.35 174.56 2a38 s ALA 82 N 0.16 2.68 -0.07 5.17 0.00 -0.30 -1.11 121.76 128.29 2a38 s ALA 82 Ca -0.13 -0.95 -0.05 0.00 0.00 0.00 0.00 51.96 50.82 2a38 s ALA 82 Cb -0.16 -1.06 0.03 0.00 0.00 0.00 0.00 23.12 21.93 2a38 s ALA 82 CO 0.07 0.47 0.18 0.99 0.00 0.00 0.00 175.76 177.47 2a38 s THR 83 N -0.44 -0.02 0.19 0.00 2.01 -0.38 -1.46 115.64 115.55 2a38 s THR 83 Ca 0.05 0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.13 2a38 s THR 83 Cb -0.12 -0.27 -0.01 0.00 0.01 0.00 0.00 72.50 72.11 2a38 s THR 83 CO 0.02 0.02 0.22 -0.46 -0.69 0.00 0.00 174.62 173.74 2a38 n ASN 84 N 3.41 -0.60 0.16 3.53 0.23 -0.79 -0.55 115.26 120.64 2a38 n ASN 84 Ca -0.17 -2.16 0.15 0.00 -0.53 0.00 0.00 54.58 51.87 2a38 n ASN 84 Cb 0.57 1.22 0.73 0.00 -2.08 0.00 0.00 39.78 40.21 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 1.14 0.00 1.11 4.83 0.00 -1.91 -2.80 103.07 105.44 2a38 h GLY 85 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.19 2a38 h GLY 85 CO 0.20 0.00 -0.48 1.44 0.00 0.00 0.00 176.54 177.70 2a38 n SER 86 N -4.24 0.49 0.00 0.19 7.64 -1.26 -5.05 113.62 111.39 2a38 n SER 86 Ca 0.03 -0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.78 2a38 n SER 86 Cb 0.34 0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 2a38 n SER 86 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a38 n GLY 87 N 1.47 -0.84 3.18 0.23 0.00 -1.06 -4.72 105.19 103.45 2a38 n GLY 87 Ca 0.05 -1.16 -0.10 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.98 0.72 0.03 1.61 0.74 -1.26 -1.88 119.66 117.63 2a38 s GLN 88 Ca 0.00 -0.75 -0.04 0.00 0.05 0.00 0.00 55.36 54.62 2a38 s GLN 88 Cb 0.00 0.29 -0.01 0.00 1.10 0.00 0.00 33.01 34.39 2a38 s GLN 88 CO 0.00 -0.21 0.07 0.00 -0.55 0.00 0.00 175.29 174.60 2a38 s ALA 89 N -2.95 -0.04 0.07 1.58 0.00 -0.53 -4.83 121.76 115.05 2a38 s ALA 89 Ca -0.02 -0.52 0.03 0.00 0.00 0.00 0.00 51.96 51.45 2a38 s ALA 89 Cb 0.01 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.30 2a38 s ALA 89 CO -0.06 -0.27 -0.09 0.95 0.00 0.00 0.00 175.76 176.29 2a38 s THR 90 N -2.21 0.76 -0.01 0.00 -4.23 -1.26 -1.15 115.64 107.54 2a38 s THR 90 Ca -0.08 -1.34 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 2a38 s THR 90 Cb -0.04 -0.98 0.01 0.00 1.34 0.00 0.00 72.50 72.83 2a38 s THR 90 CO -0.03 -0.44 -0.01 -0.55 -0.54 0.00 0.00 174.62 173.05 2a38 s SER 91 N -1.96 0.22 0.09 3.99 0.15 -0.64 -4.99 113.70 110.56 2a38 s SER 91 Ca -0.03 -0.02 0.06 0.00 0.70 0.00 0.00 55.95 56.66 2a38 s SER 91 Cb -0.07 -0.06 -0.03 0.00 -1.71 0.00 0.00 66.02 64.15 2a38 s SER 91 CO 0.00 -0.01 -0.15 -0.89 1.20 0.00 0.00 173.24 173.38 2a38 s THR 92 N 0.23 1.27 0.12 6.45 2.01 -1.26 -0.96 115.64 123.51 2a38 s THR 92 Ca -0.02 -1.43 -0.17 0.00 0.31 0.00 0.00 61.69 60.38 2a38 s THR 92 Cb -0.04 -1.25 0.04 0.00 0.01 0.00 0.00 72.50 71.26 2a38 s THR 92 CO -0.01 -0.23 0.43 0.00 -0.69 0.00 0.00 174.62 174.13 2a38 s ALA 93 N -1.41 -1.04 0.09 7.40 0.00 -0.30 -4.73 121.76 121.78 2a38 s ALA 93 Ca 0.02 0.07 0.03 0.00 0.00 0.00 0.00 51.96 52.07 2a38 s ALA 93 Cb -0.09 0.69 -0.04 0.00 0.00 0.00 0.00 23.12 23.68 2a38 s ALA 93 CO 0.03 -0.64 0.12 -1.21 0.00 0.00 0.00 175.76 174.05 2a38 s GLU 94 N -3.67 3.01 -0.26 0.00 2.02 -1.26 -0.57 118.70 117.96 2a38 s GLU 94 Ca 0.02 -0.67 0.03 0.00 0.02 0.00 0.00 54.97 54.37 2a38 s GLU 94 Cb 0.01 -2.78 0.06 0.00 0.10 0.00 0.00 34.13 31.52 2a38 s GLU 94 CO -0.11 0.56 -0.10 -1.17 0.02 0.00 0.00 175.26 174.45 2a38 s LEU 95 N -2.56 3.34 -0.17 1.80 2.96 -0.21 -1.24 118.68 122.60 2a38 s LEU 95 Ca 0.31 -1.38 -0.04 0.00 -0.22 0.00 0.00 54.13 52.80 2a38 s LEU 95 Cb -0.12 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 2a38 s LEU 95 CO 0.24 -0.20 -0.02 -0.22 -1.32 0.00 0.00 176.35 174.82 2a38 s LEU 96 N 1.14 3.27 -0.35 -0.68 2.96 -0.49 -1.02 118.68 123.50 2a38 s LEU 96 Ca -0.08 -0.14 -0.11 0.00 -0.22 0.00 0.00 54.13 53.57 2a38 s LEU 96 Cb -0.20 -1.80 0.01 0.00 0.50 0.00 0.00 46.19 44.70 2a38 s LEU 96 CO -0.05 0.14 0.20 -0.69 -1.32 0.00 0.00 176.35 174.63 2a38 s VAL 97 N 0.55 4.69 0.35 1.68 1.01 -1.26 -0.69 120.40 126.73 2a38 s VAL 97 Ca -0.02 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.23 2a38 s VAL 97 Cb -0.14 -3.53 -0.06 0.00 0.00 0.00 0.00 36.38 32.65 2a38 s VAL 97 CO 0.02 -0.12 0.68 -0.54 0.00 0.00 0.00 175.10 175.14 2a38 s LYS 98 N 1.60 3.72 -0.06 2.72 -0.14 0.12 -4.85 119.74 122.85 2a38 s LYS 98 Ca 0.03 0.27 0.03 0.00 -1.36 0.00 0.00 55.97 54.95 2a38 s LYS 98 Cb -0.18 -2.50 -0.25 0.00 -1.68 0.00 0.00 37.83 33.22 2a38 s LYS 98 CO 0.07 0.08 0.60 0.00 -0.76 0.00 0.00 175.35 175.34 2a38 h ALA 99 N 1.46 0.56 -2.52 5.17 0.00 -1.97 -1.57 119.26 120.40 2a38 h ALA 99 Ca -0.47 -1.37 -0.62 0.00 0.00 0.00 0.00 54.91 52.44 2a38 h ALA 99 Cb 1.19 0.52 -0.15 0.00 0.00 0.00 0.00 17.79 19.34 2a38 h ALA 99 CO 0.65 1.41 -0.78 -1.83 0.00 0.00 0.00 179.25 178.70 2a38 s GLU 100 N -2.59 1.63 1.07 0.00 -1.05 -1.26 -4.76 118.70 111.75 2a38 s GLU 100 Ca -0.12 -1.69 -0.13 0.00 -0.15 0.00 0.00 54.97 52.88 2a38 s GLU 100 Cb 0.07 -1.80 0.23 0.00 -0.44 0.00 0.00 34.13 32.19 2a38 s GLU 100 CO 0.81 0.35 1.07 0.95 0.95 0.00 0.00 175.26 179.39 2a38 s THR 101 N -2.25 1.99 -0.23 1.83 -4.23 -1.26 -4.96 115.64 106.53 2a38 s THR 101 Ca 0.27 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.63 2a38 s THR 101 Cb -0.06 -2.36 0.07 0.00 1.34 0.00 0.00 72.50 71.48 2a38 s THR 101 CO 0.13 0.00 0.57 0.00 -0.54 0.00 0.00 174.62 174.78 2a38 s ALA 102 N -2.81 -1.47 0.88 3.99 0.00 0.35 -4.92 121.76 117.78 2a38 s ALA 102 Ca 0.67 1.90 -0.11 0.00 0.00 0.00 0.00 51.96 54.42 2a38 s ALA 102 Cb -0.20 -1.12 0.12 0.00 0.00 0.00 0.00 23.12 21.92 2a38 s ALA 102 CO 0.60 -0.31 1.11 -1.25 0.00 0.00 0.00 175.76 175.90 2a38 s PRO 103 N 1.16 1.35 0.44 0.00 0.04 -1.26 -0.96 135.00 135.78 2a38 s PRO 103 Ca -0.07 1.23 -0.25 0.00 0.04 0.00 0.00 61.00 61.95 2a38 s PRO 103 Cb -0.06 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.60 2a38 s PRO 103 CO -0.11 -2.29 1.39 -2.30 0.04 0.00 0.00 177.00 173.72 2a38 n PRO 104 N -3.97 2.16 -3.77 0.56 -0.02 -1.26 -4.54 135.00 124.16 2a38 n PRO 104 Ca 0.09 0.77 -0.13 0.00 -2.02 0.00 0.00 63.50 62.22 2a38 n PRO 104 Cb 0.53 -2.56 -0.13 0.00 -0.02 0.00 0.00 33.50 31.33 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 -0.48 -0.22 -0.48 2.55 2.47 -0.57 -4.62 114.94 113.60 2a38 s ASN 105 Ca 0.61 0.44 -0.22 0.00 0.42 0.00 0.00 52.86 54.11 2a38 s ASN 105 Cb -0.47 0.39 0.03 0.00 -1.45 0.00 0.00 41.25 39.76 2a38 s ASN 105 CO 0.58 -0.11 0.75 -0.36 -3.72 0.00 0.00 177.10 174.24 2a38 s PHE 106 N 0.58 2.98 0.28 0.43 0.40 -1.26 -0.84 117.98 120.55 2a38 s PHE 106 Ca -0.04 -0.05 0.09 0.00 -0.60 0.00 0.00 56.93 56.34 2a38 s PHE 106 Cb -0.05 -3.64 0.39 0.00 0.51 0.00 0.00 43.02 40.22 2a38 s PHE 106 CO -0.03 -1.04 1.63 0.28 0.70 0.00 0.00 175.22 176.77 2a38 h VAL 107 N 5.94 1.40 -3.30 -0.44 2.07 -0.55 -3.41 116.25 117.97 2a38 h VAL 107 Ca -0.26 -1.96 -0.47 0.00 0.82 0.00 0.00 66.70 64.83 2a38 h VAL 107 Cb 1.09 2.04 -0.36 0.00 -1.52 0.00 0.00 31.29 32.53 2a38 h VAL 107 CO 0.97 0.56 -0.79 -1.58 0.02 0.00 0.00 177.57 176.76 2a38 s GLN 108 N -3.74 1.13 0.36 1.57 0.74 -1.13 -4.94 119.66 113.65 2a38 s GLN 108 Ca -0.02 -0.14 0.07 0.00 0.05 0.00 0.00 55.36 55.32 2a38 s GLN 108 Cb 0.13 -1.22 -0.01 0.00 1.10 0.00 0.00 33.01 33.01 2a38 s GLN 108 CO 0.77 -0.20 0.43 1.03 -0.55 0.00 0.00 175.29 176.77 2a38 s ARG 109 N 1.47 2.91 0.41 1.67 0.52 -1.26 -2.13 118.95 122.54 2a38 s ARG 109 Ca -0.01 -1.18 -0.26 0.00 -0.52 0.00 0.00 55.73 53.76 2a38 s ARG 109 Cb -0.13 -2.67 -0.09 0.00 0.52 0.00 0.00 34.95 32.58 2a38 s ARG 109 CO -0.04 -0.01 1.33 -0.51 0.02 0.00 0.00 175.30 176.09 2a38 s LEU 110 N -4.15 4.19 -0.13 2.53 1.43 -1.26 -4.79 118.68 116.50 2a38 s LEU 110 Ca 0.46 2.70 0.01 0.00 -1.03 0.00 0.00 54.13 56.27 2a38 s LEU 110 Cb -0.08 -3.91 -0.01 0.00 0.03 0.00 0.00 46.19 42.22 2a38 s LEU 110 CO 0.30 -0.91 -0.17 -1.10 0.23 0.00 0.00 176.35 174.70 2a38 s GLN 111 N -2.28 3.23 0.67 1.70 -1.52 -1.26 -4.75 119.66 115.44 2a38 s GLN 111 Ca 0.58 -0.76 -0.17 0.00 -1.95 0.00 0.00 55.36 53.06 2a38 s GLN 111 Cb -0.39 -2.55 0.00 0.00 -0.22 0.00 0.00 33.01 29.86 2a38 s GLN 111 CO 0.50 0.12 1.23 -1.12 -0.25 0.00 0.00 175.29 175.77 2a38 s SER 112 N 0.54 4.63 -0.11 5.90 0.01 -1.26 -4.75 113.70 118.66 2a38 s SER 112 Ca -0.11 2.42 -0.11 0.00 1.31 0.00 0.00 55.95 59.46 2a38 s SER 112 Cb -0.16 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.50 2a38 s SER 112 CO 0.04 -1.97 0.31 -0.04 0.41 0.00 0.00 173.24 171.99 2a38 s MET 113 N -3.61 0.38 -0.19 12.44 -1.94 0.93 -4.91 119.30 122.40 2a38 s MET 113 Ca 0.77 0.39 0.01 0.00 -1.71 0.00 0.00 55.69 55.15 2a38 s MET 113 Cb -0.31 0.19 0.03 0.00 2.01 0.00 0.00 34.83 36.75 2a38 s MET 113 CO 0.40 -0.05 -0.14 0.99 -0.01 0.00 0.00 175.02 176.20 2a38 s THR 114 N 0.06 1.81 0.26 2.05 2.01 -1.26 0.32 115.64 120.90 2a38 s THR 114 Ca -0.01 -0.97 0.03 0.00 0.31 0.00 0.00 61.69 61.05 2a38 s THR 114 Cb -0.02 -1.76 -0.05 0.00 0.01 0.00 0.00 72.50 70.67 2a38 s THR 114 CO 0.01 0.33 0.05 0.68 -0.69 0.00 0.00 174.62 174.99 2a38 s VAL 115 N 1.35 0.87 0.46 3.82 -7.23 0.47 -4.98 120.40 115.17 2a38 s VAL 115 Ca 0.01 -2.01 -0.03 0.00 -1.81 0.00 0.00 61.98 58.15 2a38 s VAL 115 Cb -0.15 -2.54 -0.02 0.00 0.56 0.00 0.00 36.38 34.23 2a38 s VAL 115 CO -0.10 -0.14 0.72 -0.13 -0.31 0.00 0.00 175.10 175.14 2a38 s ARG 116 N -3.94 3.30 0.30 4.82 0.52 -1.26 -2.03 118.95 120.66 2a38 s ARG 116 Ca 0.33 -0.13 -0.30 0.00 -0.52 0.00 0.00 55.73 55.12 2a38 s ARG 116 Cb 0.07 -2.47 -0.12 0.00 0.52 0.00 0.00 34.95 32.95 2a38 s ARG 116 CO 0.12 -0.23 1.47 0.94 0.02 0.00 0.00 175.30 177.62 2a38 n GLN 117 N -2.16 2.42 -0.09 3.54 7.27 0.07 -2.68 117.38 125.75 2a38 n GLN 117 Ca 0.00 0.86 0.00 0.00 0.07 0.00 0.00 57.00 57.93 2a38 n GLN 117 Cb 0.56 -2.56 0.00 0.00 2.41 0.00 0.00 30.24 30.65 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 1.60 1.27 3.84 1.69 0.00 0.15 -5.00 105.19 108.75 2a38 n GLY 118 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.94 6.66 -0.09 1.61 1.04 -1.09 -4.47 113.70 114.41 2a38 s SER 119 Ca 0.00 1.52 -0.22 0.00 0.48 0.00 0.00 55.95 57.73 2a38 s SER 119 Cb 0.00 -2.48 -0.04 0.00 0.10 0.00 0.00 66.02 63.60 2a38 s SER 119 CO 0.00 -0.52 0.63 -1.58 0.98 0.00 0.00 173.24 172.75 2a38 s GLN 120 N -3.89 4.39 -0.01 4.02 0.74 -1.25 -1.18 119.66 122.48 2a38 s GLN 120 Ca 0.58 0.74 0.07 0.00 0.05 0.00 0.00 55.36 56.80 2a38 s GLN 120 Cb -0.10 -3.46 -0.02 0.00 1.10 0.00 0.00 33.01 30.53 2a38 s GLN 120 CO 0.29 0.06 -0.23 0.08 -0.55 0.00 0.00 175.29 174.93 2a38 s VAL 121 N 0.88 1.78 -0.09 1.34 1.01 -0.63 -5.01 120.40 119.68 2a38 s VAL 121 Ca 0.34 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 2a38 s VAL 121 Cb -0.17 -1.49 0.03 0.00 0.00 0.00 0.00 36.38 34.75 2a38 s VAL 121 CO 0.15 0.45 0.02 -0.60 0.00 0.00 0.00 175.10 175.12 2a38 s ARG 122 N -0.66 0.52 -0.21 2.72 3.52 -1.26 -0.40 118.95 123.17 2a38 s ARG 122 Ca 0.09 0.04 -0.09 0.00 -0.13 0.00 0.00 55.73 55.64 2a38 s ARG 122 Cb -0.09 -1.16 -0.04 0.00 -1.56 0.00 0.00 34.95 32.10 2a38 s ARG 122 CO -0.00 -0.38 0.10 -0.51 -0.81 0.00 0.00 175.30 173.70 2a38 s LEU 123 N 1.98 3.88 0.10 -0.88 1.43 -0.17 -4.93 118.68 120.08 2a38 s LEU 123 Ca 0.04 0.05 0.05 0.00 -1.03 0.00 0.00 54.13 53.24 2a38 s LEU 123 Cb -0.13 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 2a38 s LEU 123 CO -0.06 0.10 -0.13 -1.10 0.23 0.00 0.00 176.35 175.40 2a38 s GLN 124 N 0.80 0.90 0.06 1.70 -0.21 -1.26 -0.09 119.66 121.57 2a38 s GLN 124 Ca 0.05 -1.12 -0.11 0.00 0.02 0.00 0.00 55.36 54.21 2a38 s GLN 124 Cb -0.13 -0.76 0.01 0.00 1.00 0.00 0.00 33.01 33.12 2a38 s GLN 124 CO 0.02 0.15 0.24 0.14 -2.12 0.00 0.00 175.29 173.72 2a38 s VAL 125 N -1.94 0.11 -0.14 1.09 -7.23 -0.58 -4.14 120.40 107.57 2a38 s VAL 125 Ca 0.04 -0.92 -0.01 0.00 -1.81 0.00 0.00 61.98 59.28 2a38 s VAL 125 Cb -0.06 -1.09 0.04 0.00 0.56 0.00 0.00 36.38 35.83 2a38 s VAL 125 CO 0.02 -0.51 -0.02 -0.60 -0.31 0.00 0.00 175.10 173.68 2a38 s ARG 126 N -3.10 1.03 0.00 4.82 3.52 -0.90 -0.67 118.95 123.64 2a38 s ARG 126 Ca -0.01 -0.28 0.05 0.00 -0.13 0.00 0.00 55.73 55.36 2a38 s ARG 126 Cb 0.01 -1.67 -0.03 0.00 -1.56 0.00 0.00 34.95 31.70 2a38 s ARG 126 CO -0.07 -0.42 -0.12 0.14 -0.81 0.00 0.00 175.30 174.02 2a38 s VAL 127 N 1.79 3.24 0.33 7.11 -7.23 -0.11 0.27 120.40 125.80 2a38 s VAL 127 Ca 0.02 -0.90 0.09 0.00 -1.81 0.00 0.00 61.98 59.39 2a38 s VAL 127 Cb -0.14 -2.37 -0.06 0.00 0.56 0.00 0.00 36.38 34.37 2a38 s VAL 127 CO -0.07 0.42 -0.10 0.42 -0.31 0.00 0.00 175.10 175.45 2a38 s THR 128 N -0.92 2.21 0.00 5.32 -4.23 -0.02 -4.67 115.64 113.33 2a38 s THR 128 Ca 0.15 -2.22 0.00 0.00 -1.18 0.00 0.00 61.69 58.44 2a38 s THR 128 Cb -0.11 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.14 2a38 s THR 128 CO 0.05 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.51 2a38 n GLY 129 N -0.75 3.75 2.89 3.99 0.00 -1.26 -1.51 105.19 112.29 2a38 n GLY 129 Ca -0.05 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.66 1.17 1.12 -0.61 -1.09 -0.13 -3.23 121.20 116.77 2a38 s ILE 130 Ca 0.00 -0.79 -0.16 0.00 -2.23 0.00 0.00 60.65 57.48 2a38 s ILE 130 Cb 0.00 -1.41 0.25 0.00 -1.58 0.00 0.00 42.46 39.72 2a38 s ILE 130 CO 0.00 0.03 1.09 -2.84 -1.23 0.00 0.00 174.94 171.99 2a38 s PRO 131 N 1.59 -0.56 0.08 2.79 0.02 -1.26 -0.49 135.00 137.16 2a38 s PRO 131 Ca -0.01 0.28 -0.32 0.00 0.02 0.00 0.00 61.00 60.96 2a38 s PRO 131 Cb -0.16 -1.64 -0.11 0.00 0.02 0.00 0.00 34.50 32.60 2a38 s PRO 131 CO -0.07 -3.35 1.82 2.41 -0.33 0.00 0.00 177.00 177.48 2a38 n THR 132 N -4.56 0.39 -2.11 0.99 -1.04 -1.20 -4.87 114.28 101.88 2a38 n THR 132 Ca 0.08 -0.07 -0.34 0.00 -2.04 0.00 0.00 64.05 61.69 2a38 n THR 132 Cb 0.58 -1.99 0.01 0.00 -1.82 0.00 0.00 70.33 67.11 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 2.87 3.29 -0.19 -2.82 0.02 -1.26 -4.86 135.00 132.05 2a38 s PRO 133 Ca 0.84 1.37 -0.13 0.00 0.02 0.00 0.00 61.00 63.10 2a38 s PRO 133 Cb -0.55 -2.02 -0.05 0.00 0.02 0.00 0.00 34.50 31.90 2a38 s PRO 133 CO 0.41 -0.86 0.28 0.08 -0.33 0.00 0.00 177.00 176.58 2a38 s VAL 134 N -2.19 5.30 -0.04 3.83 1.01 0.77 -4.80 120.40 124.28 2a38 s VAL 134 Ca 0.67 0.47 0.03 0.00 0.00 0.00 0.00 61.98 63.15 2a38 s VAL 134 Cb -0.19 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 2a38 s VAL 134 CO 0.33 0.35 -0.10 -0.69 0.00 0.00 0.00 175.10 174.98 2a38 s VAL 135 N 0.82 3.41 0.01 2.92 1.01 -1.26 -0.83 120.40 126.49 2a38 s VAL 135 Ca 0.14 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.46 2a38 s VAL 135 Cb -0.13 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 2a38 s VAL 135 CO 0.04 0.54 -0.02 -0.54 0.00 0.00 0.00 175.10 175.12 2a38 s LYS 136 N -0.93 0.23 -0.07 2.72 1.02 -0.68 -4.99 119.74 117.03 2a38 s LYS 136 Ca 0.13 -0.38 -0.03 0.00 0.02 0.00 0.00 55.97 55.71 2a38 s LYS 136 Cb -0.11 0.01 -0.04 0.00 -0.52 0.00 0.00 37.83 37.17 2a38 s LYS 136 CO 0.02 -0.01 0.09 -0.06 -0.92 0.00 0.00 175.35 174.47 2a38 s PHE 137 N -0.86 3.39 0.06 3.18 0.40 -1.26 -1.70 117.98 121.18 2a38 s PHE 137 Ca -0.09 0.33 0.05 0.00 -0.60 0.00 0.00 56.93 56.62 2a38 s PHE 137 Cb -0.06 -1.83 -0.03 0.00 0.51 0.00 0.00 43.02 41.61 2a38 s PHE 137 CO -0.00 0.60 -0.14 0.71 0.70 0.00 0.00 175.22 177.09 2a38 s TYR 138 N -1.07 1.22 -0.16 0.36 2.02 0.97 -0.05 117.35 120.64 2a38 s TYR 138 Ca 0.18 -0.42 0.00 0.00 -0.37 0.00 0.00 57.07 56.47 2a38 s TYR 138 Cb -0.12 -0.70 0.03 0.00 -0.40 0.00 0.00 41.96 40.77 2a38 s TYR 138 CO 0.08 0.05 -0.12 0.50 -1.57 0.00 0.00 175.55 174.49 2a38 s ARG 139 N -1.51 2.11 -1.34 -0.62 3.52 0.73 -1.11 118.95 120.73 2a38 s ARG 139 Ca -0.01 -0.59 -0.08 0.00 -0.13 0.00 0.00 55.73 54.93 2a38 s ARG 139 Cb -0.09 -2.12 0.05 0.00 -1.56 0.00 0.00 34.95 31.24 2a38 s ARG 139 CO 0.02 -0.29 0.50 -0.25 -0.81 0.00 0.00 175.30 174.46 2a38 n ASP 140 N 4.78 -4.31 0.00 -2.12 8.00 0.24 -1.77 116.55 121.36 2a38 n ASP 140 Ca -0.16 -0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.00 2a38 n ASP 140 Cb 0.49 -3.54 0.00 0.00 -0.02 0.00 0.00 41.12 38.05 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 -1.25 3.24 3.83 0.44 0.00 -1.26 -5.04 105.19 105.16 2a38 n GLY 141 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.60 3.71 0.11 4.61 0.00 -0.73 -4.98 121.76 121.88 2a38 s ALA 142 Ca 0.00 -0.27 -0.31 0.00 0.00 0.00 0.00 51.96 51.38 2a38 s ALA 142 Cb 0.00 -2.35 -0.09 0.00 0.00 0.00 0.00 23.12 20.68 2a38 s ALA 142 CO 0.00 0.47 1.68 -2.00 0.00 0.00 0.00 175.76 175.92 2a38 s GLU 143 N -0.98 4.18 0.08 0.00 2.12 -1.26 -0.19 118.70 122.65 2a38 s GLU 143 Ca 0.23 2.42 -0.20 0.00 0.36 0.00 0.00 54.97 57.78 2a38 s GLU 143 Cb -0.16 -3.47 -0.07 0.00 0.26 0.00 0.00 34.13 30.69 2a38 s GLU 143 CO 0.12 -0.74 0.58 0.42 -0.54 0.00 0.00 175.26 175.11 2a38 s ILE 144 N 2.26 4.71 -0.10 -3.70 1.01 0.92 -4.89 121.20 121.41 2a38 s ILE 144 Ca 0.75 1.25 0.02 0.00 0.00 0.00 0.00 60.65 62.67 2a38 s ILE 144 Cb -0.43 -3.91 -0.01 0.00 0.01 0.00 0.00 42.46 38.12 2a38 s ILE 144 CO 0.33 0.55 -0.19 -1.10 0.00 0.00 0.00 174.94 174.54 2a38 s GLN 145 N -1.11 3.10 0.27 2.79 -1.52 -1.26 -4.64 119.66 117.28 2a38 s GLN 145 Ca 0.29 -0.79 -0.30 0.00 -1.95 0.00 0.00 55.36 52.62 2a38 s GLN 145 Cb -0.20 -2.43 -0.13 0.00 -0.22 0.00 0.00 33.01 30.03 2a38 s GLN 145 CO 0.19 0.25 1.31 0.45 -0.25 0.00 0.00 175.29 177.25 2a38 n SER 146 N 3.37 2.49 -1.49 5.90 2.88 -1.26 -4.82 113.62 120.70 2a38 n SER 146 Ca -0.18 1.16 -0.03 0.00 -1.33 0.00 0.00 58.87 58.49 2a38 n SER 146 Cb 0.53 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 2a38 n SER 146 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2a38 n SER 147 N 1.65 -0.51 0.15 -3.46 3.41 0.56 -4.91 113.62 110.50 2a38 n SER 147 Ca 0.10 -1.45 -0.00 0.00 -0.26 0.00 0.00 58.87 57.26 2a38 n SER 147 Cb 0.32 0.88 0.24 0.00 -0.26 0.00 0.00 64.21 65.39 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 0.04 0.14 1.04 3.38 -1.97 -2.93 115.31 115.01 2a38 h LEU 148 Ca -0.08 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2a38 h LEU 148 Cb 0.32 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2a38 h LEU 148 CO 0.11 0.54 -0.07 -0.78 0.09 0.00 0.00 178.44 178.33 2a38 h ASP 149 N 0.03 -0.16 -3.99 -0.43 -0.00 -1.96 -3.42 116.42 106.49 2a38 h ASP 149 Ca -0.00 -0.30 -0.68 0.00 -0.00 0.00 0.00 57.03 56.05 2a38 h ASP 149 Cb 0.91 0.04 -0.37 0.00 -0.00 0.00 0.00 39.33 39.91 2a38 h ASP 149 CO 0.07 0.42 -0.52 -0.36 -0.00 0.00 0.00 179.24 178.85 2a38 s PHE 150 N -2.81 3.44 -0.31 0.28 0.40 -1.23 -4.05 117.98 113.70 2a38 s PHE 150 Ca -0.10 -2.81 -0.22 0.00 -0.60 0.00 0.00 56.93 53.21 2a38 s PHE 150 Cb -0.00 -3.07 -0.00 0.00 0.51 0.00 0.00 43.02 40.45 2a38 s PHE 150 CO 0.36 -0.86 0.70 -1.14 0.70 0.00 0.00 175.22 174.97 2a38 s GLN 151 N 0.27 3.92 -0.21 0.44 0.74 -0.40 -0.32 119.66 124.09 2a38 s GLN 151 Ca 0.14 0.41 -0.10 0.00 0.05 0.00 0.00 55.36 55.86 2a38 s GLN 151 Cb -0.22 -3.73 -0.05 0.00 1.10 0.00 0.00 33.01 30.11 2a38 s GLN 151 CO -0.03 -0.62 0.14 0.42 -0.55 0.00 0.00 175.29 174.65 2a38 s ILE 152 N 2.75 5.39 -0.00 -2.34 1.01 -1.26 0.06 121.20 126.81 2a38 s ILE 152 Ca 0.28 0.19 0.02 0.00 0.00 0.00 0.00 60.65 61.15 2a38 s ILE 152 Cb -0.15 -3.48 -0.01 0.00 0.01 0.00 0.00 42.46 38.84 2a38 s ILE 152 CO 0.12 0.41 -0.08 -0.55 0.00 0.00 0.00 174.94 174.84 2a38 s SER 153 N 0.61 0.95 -0.03 3.58 0.15 0.05 -4.93 113.70 114.08 2a38 s SER 153 Ca 0.08 -0.16 0.06 0.00 0.70 0.00 0.00 55.95 56.63 2a38 s SER 153 Cb -0.12 -0.10 -0.01 0.00 -1.71 0.00 0.00 66.02 64.08 2a38 s SER 153 CO 0.00 0.09 -0.20 -1.58 1.20 0.00 0.00 173.24 172.75 2a38 s GLN 154 N -0.23 1.78 -0.34 5.44 0.74 -1.26 -0.53 119.66 125.25 2a38 s GLN 154 Ca 0.03 -0.72 -0.00 0.00 0.05 0.00 0.00 55.36 54.71 2a38 s GLN 154 Cb -0.03 -1.65 0.14 0.00 1.10 0.00 0.00 33.01 32.56 2a38 s GLN 154 CO -0.00 0.39 0.22 -1.21 -0.55 0.00 0.00 175.29 174.15 2a38 s GLU 155 N -0.34 0.50 6.82 1.67 0.41 0.28 -5.02 118.70 123.02 2a38 s GLU 155 Ca 0.04 -1.11 0.00 0.00 -0.41 0.00 0.00 54.97 53.49 2a38 s GLU 155 Cb -0.09 -1.18 0.00 0.00 -1.78 0.00 0.00 34.13 31.08 2a38 s GLU 155 CO 0.00 -1.18 0.00 0.41 -0.49 0.00 0.00 175.26 174.01 2a38 n GLY 156 N 4.28 1.37 0.46 -1.39 0.00 -1.26 -2.31 105.19 106.34 2a38 n GLY 156 Ca 0.09 -0.53 0.14 0.00 0.00 0.00 0.00 46.02 45.72 2a38 n GLY 156 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2a38 n ASP 157 N 7.31 1.46 -4.62 1.61 3.85 -1.26 -4.81 116.55 120.08 2a38 n ASP 157 Ca 0.00 -1.45 -0.39 0.00 -0.71 0.00 0.00 54.79 52.23 2a38 n ASP 157 Cb 0.00 0.01 -0.08 0.00 -1.35 0.00 0.00 41.12 39.70 2a38 n ASP 157 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 2a38 s LEU 158 N -2.04 4.06 0.07 -2.12 2.96 -0.98 -0.93 118.68 119.71 2a38 s LEU 158 Ca 0.37 0.42 0.10 0.00 -0.22 0.00 0.00 54.13 54.80 2a38 s LEU 158 Cb 0.21 -2.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.33 2a38 s LEU 158 CO 0.35 -0.20 -0.26 -0.31 -1.32 0.00 0.00 176.35 174.60 2a38 s TYR 159 N 2.02 2.33 0.02 5.38 1.51 0.15 -0.55 117.35 128.21 2a38 s TYR 159 Ca 0.18 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.85 2a38 s TYR 159 Cb -0.16 -1.35 -0.02 0.00 -0.11 0.00 0.00 41.96 40.33 2a38 s TYR 159 CO 0.09 0.20 -0.04 -1.12 -1.11 0.00 0.00 175.55 173.57 2a38 s SER 160 N -1.51 0.40 -0.20 2.29 0.01 0.31 -1.53 113.70 113.47 2a38 s SER 160 Ca 0.13 -0.46 0.01 0.00 1.31 0.00 0.00 55.95 56.93 2a38 s SER 160 Cb -0.10 0.07 0.04 0.00 0.21 0.00 0.00 66.02 66.24 2a38 s SER 160 CO 0.03 -0.24 -0.11 -0.22 0.41 0.00 0.00 173.24 173.12 2a38 s LEU 161 N -1.35 2.37 -0.20 2.44 2.96 0.88 -0.77 118.68 125.02 2a38 s LEU 161 Ca -0.13 -0.92 -0.06 0.00 -0.22 0.00 0.00 54.13 52.80 2a38 s LEU 161 Cb -0.09 -1.27 -0.03 0.00 0.50 0.00 0.00 46.19 45.30 2a38 s LEU 161 CO -0.01 -0.14 0.04 -0.22 -1.32 0.00 0.00 176.35 174.70 2a38 s LEU 162 N 1.37 3.57 -0.45 -0.68 2.96 0.11 -1.00 118.68 124.55 2a38 s LEU 162 Ca -0.02 -0.05 -0.03 0.00 -0.22 0.00 0.00 54.13 53.81 2a38 s LEU 162 Cb -0.16 -1.91 0.12 0.00 0.50 0.00 0.00 46.19 44.74 2a38 s LEU 162 CO -0.08 0.11 0.26 -0.63 -1.32 0.00 0.00 176.35 174.69 2a38 s ILE 163 N 0.73 3.45 0.19 6.68 1.01 0.46 -1.28 121.20 132.44 2a38 s ILE 163 Ca 0.02 -2.18 -0.18 0.00 0.00 0.00 0.00 60.65 58.31 2a38 s ILE 163 Cb -0.14 -3.34 0.16 0.00 0.01 0.00 0.00 42.46 39.16 2a38 s ILE 163 CO 0.02 -0.73 1.61 0.00 0.00 0.00 0.00 174.94 175.84 2a38 h ALA 164 N 7.92 0.14 -3.20 9.38 0.00 -1.81 -1.67 119.26 130.00 2a38 h ALA 164 Ca -0.12 0.19 -0.51 0.00 0.00 0.00 0.00 54.91 54.46 2a38 h ALA 164 Cb 1.03 0.62 -0.40 0.00 0.00 0.00 0.00 17.79 19.04 2a38 h ALA 164 CO 0.72 -0.57 -0.76 -1.21 0.00 0.00 0.00 179.25 177.42 2a38 s GLU 165 N -6.11 0.54 0.08 0.00 2.02 -1.26 -3.76 118.70 110.21 2a38 s GLU 165 Ca -0.14 -0.43 -0.20 0.00 0.02 0.00 0.00 54.97 54.22 2a38 s GLU 165 Cb 0.17 -2.01 -0.07 0.00 0.10 0.00 0.00 34.13 32.32 2a38 s GLU 165 CO 0.71 -0.69 0.60 0.00 0.02 0.00 0.00 175.26 175.90 2a38 s ALA 166 N 1.89 3.56 0.20 5.21 0.00 -0.33 -4.88 121.76 127.42 2a38 s ALA 166 Ca 0.01 0.08 0.04 0.00 0.00 0.00 0.00 51.96 52.09 2a38 s ALA 166 Cb -0.17 -2.69 -0.05 0.00 0.00 0.00 0.00 23.12 20.21 2a38 s ALA 166 CO -0.11 0.36 -0.05 0.71 0.00 0.00 0.00 175.76 176.67 2a38 s TYR 167 N -1.03 1.50 0.41 0.00 1.51 -1.26 0.34 117.35 118.82 2a38 s TYR 167 Ca 0.30 -0.83 0.24 0.00 -1.01 0.00 0.00 57.07 55.77 2a38 s TYR 167 Cb -0.20 -0.82 1.26 0.00 -0.11 0.00 0.00 41.96 42.09 2a38 s TYR 167 CO 0.20 0.05 1.69 -1.35 -1.11 0.00 0.00 175.55 175.04 2a38 h PRO 168 N 2.57 0.23 0.00 -1.71 0.11 -1.87 0.35 132.00 131.68 2a38 h PRO 168 Ca -0.38 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2a38 h PRO 168 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2a38 h PRO 168 CO 0.64 0.15 0.05 0.93 -0.21 0.00 0.00 178.00 179.57 2a38 h GLU 169 N 0.24 0.00 -0.00 1.05 3.07 -1.96 -1.72 114.58 115.25 2a38 h GLU 169 Ca 0.71 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.57 2a38 h GLU 169 Cb 2.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.94 2a38 h GLU 169 CO -0.37 0.00 -0.67 -0.25 -1.40 0.00 0.00 179.01 176.31 2a38 n ASP 170 N -2.81 1.01 -4.65 1.42 8.00 0.12 -4.95 116.55 114.70 2a38 n ASP 170 Ca -0.02 -0.84 -0.40 0.00 0.71 0.00 0.00 54.79 54.24 2a38 n ASP 170 Cb 0.11 0.58 0.03 0.00 -0.02 0.00 0.00 41.12 41.82 2a38 n ASP 170 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2a38 n SER 171 N -1.16 1.51 0.00 -2.24 7.64 -0.65 -4.91 113.62 113.81 2a38 n SER 171 Ca 0.06 0.96 0.00 0.00 1.01 0.00 0.00 58.87 60.90 2a38 n SER 171 Cb 0.36 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.13 2a38 n SER 171 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a38 n GLY 172 N 1.10 -2.04 3.50 0.23 0.00 0.44 -4.99 105.19 103.42 2a38 n GLY 172 Ca 0.10 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 2a38 n GLY 172 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2a38 s THR 173 N -2.52 5.23 0.04 2.61 2.01 -1.26 -0.40 115.64 121.35 2a38 s THR 173 Ca 0.00 -0.36 0.00 0.00 0.31 0.00 0.00 61.69 61.64 2a38 s THR 173 Cb 0.00 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 2a38 s THR 173 CO 0.00 -0.20 0.15 -0.31 -0.69 0.00 0.00 174.62 173.57 2a38 s TYR 174 N 1.81 3.40 0.12 4.92 1.51 0.44 0.81 117.35 130.36 2a38 s TYR 174 Ca 0.07 0.22 -0.14 0.00 -1.01 0.00 0.00 57.07 56.21 2a38 s TYR 174 Cb -0.18 -1.73 0.02 0.00 -0.11 0.00 0.00 41.96 39.96 2a38 s TYR 174 CO 0.11 0.58 0.35 -1.54 -1.11 0.00 0.00 175.55 173.94 2a38 s SER 175 N -2.23 -0.14 -0.04 2.29 1.04 -0.27 -0.77 113.70 113.59 2a38 s SER 175 Ca 0.30 -0.43 0.03 0.00 0.48 0.00 0.00 55.95 56.32 2a38 s SER 175 Cb -0.13 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.44 2a38 s SER 175 CO 0.22 -0.84 -0.12 -0.69 0.98 0.00 0.00 173.24 172.79 2a38 s VAL 176 N -3.83 1.06 -0.13 5.02 1.01 0.24 -0.02 120.40 123.74 2a38 s VAL 176 Ca 0.04 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.55 2a38 s VAL 176 Cb 0.02 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.47 2a38 s VAL 176 CO -0.11 0.32 -0.20 0.21 0.00 0.00 0.00 175.10 175.32 2a38 s ASN 177 N 0.23 3.32 -0.10 3.32 2.47 -0.69 -0.84 114.94 122.64 2a38 s ASN 177 Ca -0.05 -0.54 -0.00 0.00 0.42 0.00 0.00 52.86 52.69 2a38 s ASN 177 Cb -0.11 -1.48 -0.02 0.00 -1.45 0.00 0.00 41.25 38.19 2a38 s ASN 177 CO 0.02 0.11 -0.09 0.00 -3.72 0.00 0.00 177.10 173.41 2a38 s ALA 178 N 0.67 2.85 0.01 1.71 0.00 0.23 -1.69 121.76 125.54 2a38 s ALA 178 Ca -0.10 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 50.99 2a38 s ALA 178 Cb -0.16 -1.27 -0.01 0.00 0.00 0.00 0.00 23.12 21.68 2a38 s ALA 178 CO 0.02 0.40 -0.03 0.99 0.00 0.00 0.00 175.76 177.14 2a38 s THR 179 N -0.22 0.17 0.35 0.00 2.01 -0.01 -1.54 115.64 116.41 2a38 s THR 179 Ca 0.02 -0.38 -0.04 0.00 0.31 0.00 0.00 61.69 61.61 2a38 s THR 179 Cb -0.13 -0.20 0.01 0.00 0.01 0.00 0.00 72.50 72.19 2a38 s THR 179 CO 0.03 -0.14 0.52 0.54 -0.69 0.00 0.00 174.62 174.88 2a38 s ASN 180 N -0.54 0.84 0.63 3.53 2.20 -0.67 -0.17 114.94 120.76 2a38 s ASN 180 Ca -0.05 -1.46 0.37 0.00 -0.94 0.00 0.00 52.86 50.79 2a38 s ASN 180 Cb -0.04 0.70 2.11 0.00 -2.00 0.00 0.00 41.25 42.01 2a38 s ASN 180 CO -0.00 -1.36 2.30 0.77 -2.94 0.00 0.00 177.10 175.87 2a38 h SER 181 N 2.08 0.00 0.03 3.54 4.64 -1.92 -2.84 113.55 119.09 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 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2a38 h SER 181 CO 0.39 0.01 -1.41 1.33 -0.87 0.00 0.00 176.83 176.28 2a38 n VAL 182 N -3.43 0.01 -3.91 0.95 0.24 -1.26 -5.06 118.33 105.87 2a38 n VAL 182 Ca -0.03 -0.22 0.01 0.00 -2.04 0.00 0.00 64.34 62.06 2a38 n VAL 182 Cb 0.09 0.53 0.01 0.00 -1.47 0.00 0.00 33.84 33.00 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 1.39 0.45 3.08 7.63 0.00 -1.07 -4.79 105.19 111.88 2a38 n GLY 183 Ca 0.01 -0.98 -0.11 0.00 0.00 0.00 0.00 46.02 44.93 2a38 n GLY 183 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2a38 s ARG 184 N -2.01 0.59 -0.06 1.61 1.81 -1.26 -1.67 118.95 117.95 2a38 s ARG 184 Ca 0.18 -0.93 -0.09 0.00 -1.72 0.00 0.00 55.73 53.18 2a38 s ARG 184 Cb -0.01 -0.18 0.02 0.00 -0.45 0.00 0.00 34.95 34.33 2a38 s ARG 184 CO 0.00 0.01 0.22 0.00 -0.68 0.00 0.00 175.30 174.85 2a38 s ALA 185 N -2.18 -0.55 0.05 2.13 0.00 -0.59 -4.78 121.76 115.84 2a38 s ALA 185 Ca -0.04 0.47 0.04 0.00 0.00 0.00 0.00 51.96 52.44 2a38 s ALA 185 Cb -0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 2a38 s ALA 185 CO -0.02 -0.15 -0.13 0.99 0.00 0.00 0.00 175.76 176.46 2a38 s THR 186 N -0.32 1.01 -0.04 0.00 2.01 -1.26 -0.61 115.64 116.43 2a38 s THR 186 Ca -0.04 -1.13 0.01 0.00 0.31 0.00 0.00 61.69 60.84 2a38 s THR 186 Cb -0.03 -0.96 0.02 0.00 0.01 0.00 0.00 72.50 71.54 2a38 s THR 186 CO 0.01 -0.15 -0.03 -0.55 -0.69 0.00 0.00 174.62 173.20 2a38 s SER 187 N -1.45 0.77 0.10 3.53 0.15 -0.02 -4.98 113.70 111.80 2a38 s SER 187 Ca -0.02 -0.10 0.08 0.00 0.70 0.00 0.00 55.95 56.61 2a38 s SER 187 Cb -0.09 -0.38 -0.04 0.00 -1.71 0.00 0.00 66.02 63.81 2a38 s SER 187 CO 0.02 -0.06 -0.20 -0.89 1.20 0.00 0.00 173.24 173.30 2a38 s THR 188 N 0.91 1.69 0.05 6.45 2.01 -1.26 -0.59 115.64 124.89 2a38 s THR 188 Ca -0.11 -1.55 -0.16 0.00 0.31 0.00 0.00 61.69 60.17 2a38 s THR 188 Cb -0.14 -1.55 0.03 0.00 0.01 0.00 0.00 72.50 70.85 2a38 s THR 188 CO -0.00 -0.08 0.37 0.00 -0.69 0.00 0.00 174.62 174.21 2a38 s ALA 189 N -1.22 -0.88 -0.19 7.40 0.00 0.05 -4.76 121.76 122.16 2a38 s ALA 189 Ca 0.07 0.18 -0.05 0.00 0.00 0.00 0.00 51.96 52.16 2a38 s ALA 189 Cb -0.10 0.35 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 2a38 s ALA 189 CO 0.04 -0.44 -0.00 -2.00 0.00 0.00 0.00 175.76 173.35 2a38 s GLU 190 N -2.54 3.66 -0.35 0.00 2.56 -1.26 -0.42 118.70 120.35 2a38 s GLU 190 Ca -0.05 -0.51 -0.08 0.00 0.00 0.00 0.00 54.97 54.34 2a38 s GLU 190 Cb -0.01 -3.05 0.04 0.00 2.00 0.00 0.00 34.13 33.11 2a38 s GLU 190 CO -0.03 0.09 0.13 -1.17 -0.56 0.00 0.00 175.26 173.72 2a38 s LEU 191 N 0.79 4.45 -0.28 2.70 2.96 0.46 -0.05 118.68 129.71 2a38 s LEU 191 Ca 0.00 -1.13 -0.07 0.00 -0.22 0.00 0.00 54.13 52.72 2a38 s LEU 191 Cb -0.14 -1.91 -0.00 0.00 0.50 0.00 0.00 46.19 44.64 2a38 s LEU 191 CO 0.02 -0.35 0.08 -0.76 -1.32 0.00 0.00 176.35 174.02 2a38 s LEU 192 N 1.44 3.69 -0.26 -0.68 1.02 0.15 -0.42 118.68 123.63 2a38 s LEU 192 Ca -0.01 -0.54 0.00 0.00 0.02 0.00 0.00 54.13 53.61 2a38 s LEU 192 Cb -0.20 -1.89 0.04 0.00 0.02 0.00 0.00 46.19 44.16 2a38 s LEU 192 CO 0.04 -0.14 -0.08 -0.69 0.02 0.00 0.00 176.35 175.50 2a38 s VAL 193 N 1.54 2.59 -2.78 -1.59 1.01 -1.26 -0.40 120.40 119.52 2a38 s VAL 193 Ca 0.04 -1.28 0.26 0.00 0.00 0.00 0.00 61.98 61.00 2a38 s VAL 193 Cb -0.16 -2.39 0.35 0.00 0.00 0.00 0.00 36.38 34.17 2a38 s VAL 193 CO 0.03 0.10 1.48 0.00 0.00 0.00 0.00 175.10 176.71