#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mp2 s GLU 7 N 0.00 1.19 -0.50 -1.08 2.12 -1.26 -4.97 118.70 114.20 1mp2 s GLU 7 Ca 0.00 -0.26 -0.20 0.00 0.36 0.00 0.00 54.97 54.86 1mp2 s GLU 7 Cb 0.00 -1.07 0.05 0.00 0.26 0.00 0.00 34.13 33.37 1mp2 s GLU 7 CO 0.00 0.00 0.68 0.99 -0.54 0.00 0.00 175.26 176.39 1mp2 s THR 8 N 0.67 4.78 0.00 -1.70 2.01 -1.26 -0.89 115.64 119.25 1mp2 s THR 8 Ca -0.11 -0.26 -0.17 0.00 0.31 0.00 0.00 61.69 61.46 1mp2 s THR 8 Cb -0.14 -4.33 -0.09 0.00 0.01 0.00 0.00 72.50 67.95 1mp2 s THR 8 CO 0.02 -0.83 0.89 0.40 -0.69 0.00 0.00 174.62 174.41 1mp2 h ILE 9 N 5.89 0.00 -4.10 1.82 1.08 -1.14 -3.48 117.51 117.58 1mp2 h ILE 9 Ca -0.27 -0.25 -0.14 0.00 -0.39 0.00 0.00 64.86 63.81 1mp2 h ILE 9 Cb 1.09 0.00 -0.18 0.00 -3.07 0.00 0.00 36.82 34.67 1mp2 h ILE 9 CO 0.97 0.00 -0.68 -0.94 -0.69 0.00 0.00 178.15 176.82 1mp2 s SER 10 N -3.89 0.37 -0.08 1.72 1.04 -1.24 -4.97 113.70 106.65 1mp2 s SER 10 Ca -0.09 -0.76 0.02 0.00 0.48 0.00 0.00 55.95 55.60 1mp2 s SER 10 Cb 0.01 0.16 0.01 0.00 0.10 0.00 0.00 66.02 66.30 1mp2 s SER 10 CO 0.26 -0.47 -0.14 -0.44 0.98 0.00 0.00 173.24 173.43 1mp2 s SER 11 N -2.27 2.14 -0.05 7.02 0.01 -1.26 -1.73 113.70 117.56 1mp2 s SER 11 Ca -0.03 -0.37 0.01 0.00 1.31 0.00 0.00 55.95 56.87 1mp2 s SER 11 Cb 0.00 -0.97 0.02 0.00 0.21 0.00 0.00 66.02 65.28 1mp2 s SER 11 CO -0.06 0.04 -0.06 -0.70 0.41 0.00 0.00 173.24 172.88 1mp2 s GLU 12 N 0.73 0.94 -0.18 12.44 2.12 0.04 -4.98 118.70 129.82 1mp2 s GLU 12 Ca -0.13 -0.15 -0.24 0.00 0.36 0.00 0.00 54.97 54.82 1mp2 s GLU 12 Cb -0.16 -0.90 -0.02 0.00 0.26 0.00 0.00 34.13 33.31 1mp2 s GLU 12 CO 0.03 -0.06 0.75 0.99 -0.54 0.00 0.00 175.26 176.43 1mp2 s THR 13 N 0.86 4.94 -0.10 -1.70 2.01 -1.26 0.59 115.64 120.97 1mp2 s THR 13 Ca -0.12 1.47 0.05 0.00 0.31 0.00 0.00 61.69 63.40 1mp2 s THR 13 Cb -0.15 -4.06 -0.24 0.00 0.01 0.00 0.00 72.50 68.06 1mp2 s THR 13 CO 0.01 0.06 0.44 0.18 -0.69 0.00 0.00 174.62 174.62 1mp2 n LEU 14 N 5.12 1.61 -3.64 4.42 4.32 0.11 -4.95 117.00 123.99 1mp2 n LEU 14 Ca 0.02 0.26 -0.09 0.00 -0.02 0.00 0.00 56.01 56.18 1mp2 n LEU 14 Cb 0.49 -0.36 -0.07 0.00 -1.62 0.00 0.00 43.42 41.86 1mp2 n LEU 14 CO 0.47 0.61 0.70 -2.28 -1.22 0.00 0.00 177.39 175.67 1mp2 s HIS 15 N -2.57 -0.52 -0.15 -1.77 5.65 -1.10 -4.98 115.29 109.85 1mp2 s HIS 15 Ca -0.14 1.25 0.01 0.00 0.25 0.00 0.00 55.06 56.42 1mp2 s HIS 15 Cb 0.07 0.36 0.00 0.00 -1.18 0.00 0.00 32.58 31.83 1mp2 s HIS 15 CO 0.79 -0.25 -0.16 0.99 -0.65 0.00 0.00 174.74 175.46 1mp2 s THR 16 N 0.31 2.55 0.00 0.89 2.01 -1.26 0.20 115.64 120.34 1mp2 s THR 16 Ca 0.02 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.21 1mp2 s THR 16 Cb -0.05 -2.07 0.00 0.00 0.01 0.00 0.00 72.50 70.39 1mp2 s THR 16 CO -0.06 0.52 0.00 0.61 -0.69 0.00 0.00 174.62 175.00 1mp2 n GLY 17 N 4.09 5.22 0.11 4.40 0.00 0.48 -5.00 105.19 114.49 1mp2 n GLY 17 Ca -0.19 -2.03 -0.16 0.00 0.00 0.00 0.00 46.02 43.63 1mp2 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mp2 h ALA 18 N 0.11 0.03 -0.00 4.61 0.00 -1.99 -3.39 119.26 118.63 1mp2 h ALA 18 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1mp2 h ALA 18 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1mp2 h ALA 18 CO 0.00 0.17 -0.29 0.44 0.00 0.00 0.00 179.25 179.57 1mp2 n ILE 19 N -4.41 0.00 -3.86 0.00 -5.35 -1.26 -5.06 119.36 99.43 1mp2 n ILE 19 Ca -0.10 -0.35 -0.09 0.00 -0.27 0.00 0.00 62.75 61.94 1mp2 n ILE 19 Cb 0.58 1.08 -0.04 0.00 -1.74 0.00 0.00 39.64 39.52 1mp2 n ILE 19 CO 0.00 0.00 0.00 0.72 -1.76 0.00 0.00 176.55 175.51 1mp2 s PHE 20 N -1.54 0.01 0.05 4.28 -0.12 -1.26 -4.08 117.98 115.31 1mp2 s PHE 20 Ca 0.07 -0.39 0.04 0.00 -0.05 0.00 0.00 56.93 56.59 1mp2 s PHE 20 Cb 0.08 0.43 -0.02 0.00 -0.63 0.00 0.00 43.02 42.88 1mp2 s PHE 20 CO 0.30 -1.05 -0.11 0.00 -0.05 0.00 0.00 175.22 174.32 1mp2 s ALA 21 N -3.93 0.86 -0.22 1.99 0.00 -0.95 -0.38 121.76 119.13 1mp2 s ALA 21 Ca 0.14 -0.81 -0.07 0.00 0.00 0.00 0.00 51.96 51.23 1mp2 s ALA 21 Cb -0.03 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 1mp2 s ALA 21 CO 0.04 0.09 0.04 -1.17 0.00 0.00 0.00 175.76 174.77 1mp2 s LEU 22 N -1.43 3.46 -0.04 0.00 2.96 0.13 -0.58 118.68 123.18 1mp2 s LEU 22 Ca -0.04 -0.14 0.04 0.00 -0.22 0.00 0.00 54.13 53.77 1mp2 s LEU 22 Cb -0.09 -1.90 -0.00 0.00 0.50 0.00 0.00 46.19 44.70 1mp2 s LEU 22 CO 0.01 0.05 -0.15 -0.60 -1.32 0.00 0.00 176.35 174.34 1mp2 s ARG 23 N 1.10 1.59 -0.17 1.98 3.52 -0.47 0.04 118.95 126.53 1mp2 s ARG 23 Ca 0.04 -0.53 -0.04 0.00 -0.13 0.00 0.00 55.73 55.07 1mp2 s ARG 23 Cb -0.14 -1.39 -0.03 0.00 -1.56 0.00 0.00 34.95 31.83 1mp2 s ARG 23 CO 0.03 0.20 -0.02 0.50 -0.81 0.00 0.00 175.30 175.20 1mp2 s ARG 24 N 0.11 3.68 0.12 5.12 3.52 0.20 -0.06 118.95 131.64 1mp2 s ARG 24 Ca -0.04 -0.50 0.09 0.00 -0.13 0.00 0.00 55.73 55.15 1mp2 s ARG 24 Cb -0.11 -3.00 -0.04 0.00 -1.56 0.00 0.00 34.95 30.24 1mp2 s ARG 24 CO 0.02 0.17 -0.21 -0.51 -0.81 0.00 0.00 175.30 173.96 1mp2 s ASP 25 N 0.57 3.71 -0.25 -2.12 1.11 -0.73 -0.78 116.67 118.18 1mp2 s ASP 25 Ca -0.02 -0.61 -0.08 0.00 0.18 0.00 0.00 52.55 52.02 1mp2 s ASP 25 Cb -0.14 -0.45 -0.04 0.00 1.07 0.00 0.00 42.92 43.36 1mp2 s ASP 25 CO 0.02 0.18 0.11 -1.10 1.18 0.00 0.00 175.17 175.56 1mp2 s GLN 26 N -2.07 3.77 0.07 8.23 -1.52 -0.70 0.09 119.66 127.53 1mp2 s GLN 26 Ca 0.17 -0.42 0.06 0.00 -1.95 0.00 0.00 55.36 53.22 1mp2 s GLN 26 Cb -0.10 -3.42 -0.04 0.00 -0.22 0.00 0.00 33.01 29.23 1mp2 s GLN 26 CO 0.09 -0.15 -0.10 0.08 -0.25 0.00 0.00 175.29 174.95 1mp2 s VAL 27 N 1.57 3.36 -0.57 1.09 1.01 0.70 -0.47 120.40 127.09 1mp2 s VAL 27 Ca 0.06 -1.15 -0.25 0.00 0.00 0.00 0.00 61.98 60.65 1mp2 s VAL 27 Cb -0.15 -2.53 0.04 0.00 0.00 0.00 0.00 36.38 33.74 1mp2 s VAL 27 CO 0.06 0.20 0.99 -0.60 0.00 0.00 0.00 175.10 175.74 1mp2 s ARG 28 N -1.95 3.34 -0.23 2.72 6.06 -0.07 -0.95 118.95 127.87 1mp2 s ARG 28 Ca 0.20 -0.23 -0.05 0.00 -2.50 0.00 0.00 55.73 53.15 1mp2 s ARG 28 Cb -0.11 -4.06 -0.01 0.00 0.06 0.00 0.00 34.95 30.83 1mp2 s ARG 28 CO 0.11 -1.55 -0.01 0.42 -2.50 0.00 0.00 175.30 171.77 1mp2 s ILE 34 N 4.14 3.56 0.04 4.11 1.01 -1.26 -4.12 121.20 128.69 1mp2 s ILE 34 Ca 0.32 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.52 1mp2 s ILE 34 Cb -0.12 -2.65 -0.02 0.00 0.01 0.00 0.00 42.46 39.67 1mp2 s ILE 34 CO 0.19 0.38 -0.07 0.54 0.00 0.00 0.00 174.94 175.97 1mp2 s VAL 35 N 1.50 0.52 0.24 2.92 0.11 -0.13 -5.14 120.40 120.43 1mp2 s VAL 35 Ca 0.05 -1.10 -0.30 0.00 -2.93 0.00 0.00 61.98 57.71 1mp2 s VAL 35 Cb -0.15 -0.62 -0.09 0.00 -1.53 0.00 0.00 36.38 33.99 1mp2 s VAL 35 CO -0.02 -0.40 1.08 -0.89 -3.33 0.00 0.00 175.10 171.54 1mp2 s THR 36 N -1.45 3.67 -0.35 5.04 2.01 -1.26 -0.22 115.64 123.08 1mp2 s THR 36 Ca -0.10 1.61 0.00 0.00 0.31 0.00 0.00 61.69 63.51 1mp2 s THR 36 Cb -0.10 -4.02 0.14 0.00 0.01 0.00 0.00 72.50 68.53 1mp2 s THR 36 CO 0.00 0.35 0.21 -0.13 -0.69 0.00 0.00 174.62 174.36 1mp2 s ARG 37 N -1.09 0.59 -0.12 4.92 1.81 0.11 -4.91 118.95 120.26 1mp2 s ARG 37 Ca 0.45 -1.35 -0.29 0.00 -1.72 0.00 0.00 55.73 52.82 1mp2 s ARG 37 Cb -0.30 -1.37 -0.01 0.00 -0.45 0.00 0.00 34.95 32.82 1mp2 s ARG 37 CO 0.38 -1.20 1.06 -1.21 -0.68 0.00 0.00 175.30 173.65 1mp2 s GLU 38 N 1.06 4.37 -0.07 3.54 2.02 -1.26 -1.77 118.70 126.59 1mp2 s GLU 38 Ca 0.18 1.45 0.04 0.00 0.02 0.00 0.00 54.97 56.65 1mp2 s GLU 38 Cb -0.23 -3.57 -0.02 0.00 0.10 0.00 0.00 34.13 30.41 1mp2 s GLU 38 CO -0.00 -0.41 -0.19 0.08 0.02 0.00 0.00 175.26 174.76 1mp2 s VAL 39 N 2.32 2.63 -0.50 2.63 1.01 0.91 -4.78 120.40 124.63 1mp2 s VAL 39 Ca 0.49 -0.86 -0.16 0.00 0.00 0.00 0.00 61.98 61.45 1mp2 s VAL 39 Cb -0.19 -2.02 0.08 0.00 0.00 0.00 0.00 36.38 34.25 1mp2 s VAL 39 CO 0.16 0.57 0.47 -0.69 0.00 0.00 0.00 175.10 175.61 1mp2 s VAL 40 N -0.22 5.14 0.26 2.92 1.01 0.16 -1.37 120.40 128.29 1mp2 s VAL 40 Ca -0.00 -1.04 -0.29 0.00 0.00 0.00 0.00 61.98 60.64 1mp2 s VAL 40 Cb -0.13 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 31.94 1mp2 s VAL 40 CO 0.03 -0.71 1.24 -1.61 0.00 0.00 0.00 175.10 174.05 1mp2 s GLU 41 N 1.87 4.46 0.06 2.72 2.02 0.25 -1.70 118.70 128.38 1mp2 s GLU 41 Ca 0.06 2.01 0.00 0.00 0.02 0.00 0.00 54.97 57.07 1mp2 s GLU 41 Cb -0.24 -3.16 -0.04 0.00 0.10 0.00 0.00 34.13 30.79 1mp2 s GLU 41 CO 0.07 -0.09 -0.05 -1.58 0.02 0.00 0.00 175.26 173.64 1mp2 s HIS 42 N -0.63 0.60 0.27 1.61 2.46 -1.26 -2.24 115.29 116.10 1mp2 s HIS 42 Ca 0.51 -0.88 0.01 0.00 0.47 0.00 0.00 55.06 55.16 1mp2 s HIS 42 Cb -0.36 -0.40 0.38 0.00 -0.13 0.00 0.00 32.58 32.07 1mp2 s HIS 42 CO 0.43 -0.25 1.72 0.74 -2.47 0.00 0.00 174.74 174.91 1mp2 h PHE 43 N 3.48 0.64 0.00 3.88 0.04 -1.89 -3.40 116.94 119.68 1mp2 h PHE 43 Ca -0.34 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.30 1mp2 h PHE 43 Cb 1.16 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 39.15 1mp2 h PHE 43 CO 0.58 0.73 0.00 0.41 -0.60 0.00 0.00 178.31 179.43 1mp2 n GLY 44 N -0.43 1.21 3.44 -1.45 0.00 -1.26 -4.51 105.19 102.20 1mp2 n GLY 44 Ca 0.00 -1.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.02 1mp2 n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mp2 s ALA 45 N -2.52 0.61 0.04 4.61 0.00 -1.03 -1.17 121.76 122.30 1mp2 s ALA 45 Ca 0.00 -1.39 0.04 0.00 0.00 0.00 0.00 51.96 50.60 1mp2 s ALA 45 Cb 0.00 1.20 -0.02 0.00 0.00 0.00 0.00 23.12 24.30 1mp2 s ALA 45 CO 0.00 -0.76 -0.11 0.14 0.00 0.00 0.00 175.76 175.03 1mp2 s VAL 46 N -3.63 0.84 0.08 0.00 -7.23 -0.34 -1.81 120.40 108.30 1mp2 s VAL 46 Ca 0.31 -0.97 0.02 0.00 -1.81 0.00 0.00 61.98 59.52 1mp2 s VAL 46 Cb 0.01 -0.80 -0.04 0.00 0.56 0.00 0.00 36.38 36.11 1mp2 s VAL 46 CO 0.15 -0.14 -0.07 0.00 -0.31 0.00 0.00 175.10 174.73 1mp2 s ALA 47 N -0.99 0.86 -0.04 1.32 0.00 -0.46 -1.26 121.76 121.19 1mp2 s ALA 47 Ca -0.03 -1.18 0.03 0.00 0.00 0.00 0.00 51.96 50.79 1mp2 s ALA 47 Cb -0.08 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1mp2 s ALA 47 CO 0.01 -0.17 -0.12 0.42 0.00 0.00 0.00 175.76 175.90 1mp2 s ILE 48 N -2.95 1.07 -0.51 0.00 1.09 -0.19 -1.16 121.20 118.55 1mp2 s ILE 48 Ca 0.05 -0.50 -0.09 0.00 -1.10 0.00 0.00 60.65 59.02 1mp2 s ILE 48 Cb 0.01 -0.95 0.13 0.00 -1.06 0.00 0.00 42.46 40.59 1mp2 s ILE 48 CO -0.03 0.33 0.38 -0.69 -0.10 0.00 0.00 174.94 174.82 1mp2 s VAL 49 N 0.28 4.24 -0.61 2.92 1.01 0.69 -3.93 120.40 124.99 1mp2 s VAL 49 Ca -0.06 -1.93 -0.18 0.00 0.00 0.00 0.00 61.98 59.80 1mp2 s VAL 49 Cb -0.11 -3.78 0.12 0.00 0.00 0.00 0.00 36.38 32.61 1mp2 s VAL 49 CO 0.02 -0.80 0.67 0.00 0.00 0.00 0.00 175.10 174.99 1mp2 s ALA 50 N 1.16 3.53 -0.11 5.51 0.00 -1.26 -1.17 121.76 129.42 1mp2 s ALA 50 Ca 0.07 -2.42 -0.20 0.00 0.00 0.00 0.00 51.96 49.41 1mp2 s ALA 50 Cb -0.25 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 1mp2 s ALA 50 CO -0.02 -2.29 0.55 1.41 0.00 0.00 0.00 175.76 175.42 1mp2 s MET 51 N 2.20 4.36 0.79 0.00 1.75 -0.59 -3.77 119.30 124.05 1mp2 s MET 51 Ca 0.11 0.58 -0.08 0.00 -1.25 0.00 0.00 55.69 55.05 1mp2 s MET 51 Cb -0.24 -3.45 0.17 0.00 2.84 0.00 0.00 34.83 34.16 1mp2 s MET 51 CO 0.03 0.11 1.08 -0.40 -0.65 0.00 0.00 175.02 175.19 1mp2 n ASP 52 N 3.78 0.70 0.00 1.11 5.68 0.34 -4.42 116.55 123.74 1mp2 n ASP 52 Ca -0.05 -1.77 0.09 0.00 -0.50 0.00 0.00 54.79 52.56 1mp2 n ASP 52 Cb 0.51 -0.77 0.46 0.00 -1.14 0.00 0.00 41.12 40.19 1mp2 n ASP 52 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1mp2 n ASP 53 N -3.34 0.00 -0.66 -1.12 5.68 -1.26 -2.03 116.55 113.83 1mp2 n ASP 53 Ca 0.15 -0.05 0.09 0.00 -0.50 0.00 0.00 54.79 54.49 1mp2 n ASP 53 Cb 0.54 -0.25 0.06 0.00 -1.14 0.00 0.00 41.12 40.33 1mp2 n ASP 53 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1mp2 n ASN 54 N -1.25 2.35 0.00 -1.12 3.02 -1.26 -4.97 115.26 112.02 1mp2 n ASN 54 Ca 0.09 -1.67 0.00 0.00 -0.03 0.00 0.00 54.58 52.97 1mp2 n ASN 54 Cb 0.13 0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 1mp2 n ASN 54 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mp2 n GLY 55 N 1.10 0.86 3.64 7.41 0.00 -0.86 -5.00 105.19 112.35 1mp2 n GLY 55 Ca 0.10 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 1mp2 n GLY 55 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mp2 s ASN 56 N -2.60 4.73 0.08 1.61 0.01 -1.26 -1.97 114.94 115.54 1mp2 s ASN 56 Ca 0.00 -0.31 0.06 0.00 -0.71 0.00 0.00 52.86 51.90 1mp2 s ASN 56 Cb 0.00 -1.02 -0.03 0.00 0.41 0.00 0.00 41.25 40.61 1mp2 s ASN 56 CO 0.00 0.15 -0.17 0.27 -1.51 0.00 0.00 177.10 175.85 1mp2 s ILE 57 N -1.39 1.34 0.09 0.60 -4.36 -0.34 -0.50 121.20 116.65 1mp2 s ILE 57 Ca 0.25 -1.39 -0.20 0.00 -0.26 0.00 0.00 60.65 59.05 1mp2 s ILE 57 Cb -0.11 -1.25 -0.07 0.00 1.25 0.00 0.00 42.46 42.28 1mp2 s ILE 57 CO 0.17 -0.16 0.59 -2.16 0.24 0.00 0.00 174.94 173.63 1mp2 s PRO 58 N -1.79 4.22 0.01 0.37 0.04 -1.25 -0.89 135.00 135.73 1mp2 s PRO 58 Ca 0.01 0.76 0.01 0.00 0.04 0.00 0.00 61.00 61.83 1mp2 s PRO 58 Cb -0.10 -3.20 -0.01 0.00 0.04 0.00 0.00 34.50 31.23 1mp2 s PRO 58 CO 0.03 0.61 -0.05 -1.64 0.04 0.00 0.00 177.00 175.99 1mp2 s MET 59 N -1.22 0.39 0.15 4.56 -1.94 0.11 -4.62 119.30 116.73 1mp2 s MET 59 Ca 0.31 -0.39 0.04 0.00 -1.71 0.00 0.00 55.69 53.94 1mp2 s MET 59 Cb -0.19 -0.27 -0.04 0.00 2.01 0.00 0.00 34.83 36.34 1mp2 s MET 59 CO 0.20 0.06 0.20 0.14 -0.01 0.00 0.00 175.02 175.61 1mp2 s VAL 60 N -0.64 4.84 -0.45 -6.03 -7.23 0.09 0.20 120.40 111.18 1mp2 s VAL 60 Ca -0.04 -0.90 -0.02 0.00 -1.81 0.00 0.00 61.98 59.21 1mp2 s VAL 60 Cb -0.05 -3.47 0.12 0.00 0.56 0.00 0.00 36.38 33.54 1mp2 s VAL 60 CO -0.00 -0.09 0.24 -0.47 -0.31 0.00 0.00 175.10 174.47 1mp2 s TYR 61 N -1.73 3.55 -0.02 2.82 5.04 -0.96 -0.65 117.35 125.40 1mp2 s TYR 61 Ca 0.32 -2.57 0.05 0.00 -2.44 0.00 0.00 57.07 52.44 1mp2 s TYR 61 Cb -0.11 -3.18 -0.03 0.00 0.35 0.00 0.00 41.96 39.00 1mp2 s TYR 61 CO 0.25 -0.93 -0.16 -1.14 -1.34 0.00 0.00 175.55 172.23 1mp2 s GLN 62 N 0.81 2.35 0.14 4.97 0.74 -0.48 -4.43 119.66 123.76 1mp2 s GLN 62 Ca 0.11 -0.80 -0.30 0.00 0.05 0.00 0.00 55.36 54.41 1mp2 s GLN 62 Cb -0.22 -2.30 -0.07 0.00 1.10 0.00 0.00 33.01 31.52 1mp2 s GLN 62 CO -0.04 0.59 1.17 -0.47 -0.55 0.00 0.00 175.29 175.99 1mp2 s TYR 63 N -0.80 3.48 -0.31 1.67 5.04 -1.26 0.11 117.35 125.28 1mp2 s TYR 63 Ca 0.13 1.43 0.03 0.00 -2.44 0.00 0.00 57.07 56.22 1mp2 s TYR 63 Cb -0.11 -3.38 0.09 0.00 0.35 0.00 0.00 41.96 38.91 1mp2 s TYR 63 CO 0.02 -1.06 0.01 1.03 -1.34 0.00 0.00 175.55 174.21 1mp2 s ARG 64 N 0.17 1.63 0.26 4.97 1.81 0.33 -4.92 118.95 123.20 1mp2 s ARG 64 Ca 0.54 -1.62 -0.02 0.00 -1.72 0.00 0.00 55.73 52.91 1mp2 s ARG 64 Cb -0.31 -3.00 0.56 0.00 -0.45 0.00 0.00 34.95 31.76 1mp2 s ARG 64 CO 0.34 -0.82 1.70 1.25 -0.68 0.00 0.00 175.30 177.08 1mp2 h HIS 65 N 7.71 0.48 -1.19 -0.53 -0.00 -1.95 0.61 115.15 120.27 1mp2 h HIS 65 Ca -0.09 0.04 0.34 0.00 -0.00 0.00 0.00 60.37 60.66 1mp2 h HIS 65 Cb 1.03 -0.09 -0.09 0.00 -0.00 0.00 0.00 27.41 28.26 1mp2 h HIS 65 CO 0.50 -0.03 0.80 1.79 -0.00 0.00 0.00 177.93 180.99 1mp2 h THR 66 N 0.37 0.37 0.00 6.26 1.35 -1.94 0.27 112.91 119.59 1mp2 h THR 66 Ca 0.47 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 66.26 1mp2 h THR 66 Cb 0.81 0.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.39 1mp2 h THR 66 CO -0.49 0.04 -1.05 -1.22 -0.25 0.00 0.00 175.52 172.55 1mp2 n TYR 67 N -4.49 0.00 -2.15 4.73 4.01 -0.13 -5.00 117.16 114.13 1mp2 n TYR 67 Ca 0.29 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.95 1mp2 n TYR 67 Cb 1.16 -0.12 -0.00 0.00 -0.31 0.00 0.00 39.34 40.07 1mp2 n TYR 67 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1mp2 n GLY 68 N 1.45 0.04 3.82 2.72 0.00 0.08 -5.01 105.19 108.28 1mp2 n GLY 68 Ca 0.01 -0.53 -0.06 0.00 0.00 0.00 0.00 46.02 45.44 1mp2 n GLY 68 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1mp2 s ARG 69 N -4.40 1.58 0.13 1.61 1.70 -1.20 -5.00 118.95 113.37 1mp2 s ARG 69 Ca 0.00 -0.90 -0.17 0.00 -0.47 0.00 0.00 55.73 54.19 1mp2 s ARG 69 Cb 0.00 0.52 -0.07 0.00 -0.57 0.00 0.00 34.95 34.83 1mp2 s ARG 69 CO 0.00 -0.73 0.59 1.03 -1.08 0.00 0.00 175.30 175.11 1mp2 s ARG 70 N -3.41 4.11 0.08 3.89 0.52 -1.26 -0.51 118.95 122.37 1mp2 s ARG 70 Ca 0.13 0.65 0.07 0.00 -0.52 0.00 0.00 55.73 56.05 1mp2 s ARG 70 Cb -0.04 -3.04 -0.03 0.00 0.52 0.00 0.00 34.95 32.36 1mp2 s ARG 70 CO 0.06 0.53 -0.19 -0.51 0.02 0.00 0.00 175.30 175.21 1mp2 s LEU 71 N -1.63 2.25 -0.16 2.53 1.43 0.12 -4.90 118.68 118.31 1mp2 s LEU 71 Ca 0.35 -0.61 -0.25 0.00 -1.03 0.00 0.00 54.13 52.59 1mp2 s LEU 71 Cb -0.17 -0.79 -0.02 0.00 0.03 0.00 0.00 46.19 45.24 1mp2 s LEU 71 CO 0.19 0.05 0.83 0.26 0.23 0.00 0.00 176.35 177.91 1mp2 s TRP 72 N -1.08 3.43 0.27 0.29 0.52 -1.26 -1.39 118.94 119.72 1mp2 s TRP 72 Ca 0.04 1.26 0.03 0.00 0.02 0.00 0.00 56.10 57.45 1mp2 s TRP 72 Cb -0.09 -3.01 -0.03 0.00 -1.15 0.00 0.00 33.47 29.18 1mp2 s TRP 72 CO 0.03 -0.23 0.22 -1.21 0.02 0.00 0.00 176.95 175.78 1mp2 s GLU 73 N 2.09 1.49 0.33 4.98 2.02 0.17 -4.45 118.70 125.33 1mp2 s GLU 73 Ca 0.38 -1.81 -0.04 0.00 0.02 0.00 0.00 54.97 53.52 1mp2 s GLU 73 Cb -0.17 0.30 -0.05 0.00 0.10 0.00 0.00 34.13 34.32 1mp2 s GLU 73 CO 0.13 -0.53 0.59 -0.51 0.02 0.00 0.00 175.26 174.96 1mp2 s LEU 74 N -3.26 3.99 0.22 1.80 1.43 -1.26 -0.73 118.68 120.87 1mp2 s LEU 74 Ca 0.39 0.71 -0.32 0.00 -1.03 0.00 0.00 54.13 53.88 1mp2 s LEU 74 Cb 0.04 -3.55 -0.12 0.00 0.03 0.00 0.00 46.19 42.59 1mp2 s LEU 74 CO 0.20 -0.27 1.70 -2.84 0.23 0.00 0.00 176.35 175.37 1mp2 s PRO 75 N -3.86 4.12 0.11 1.29 0.02 -1.25 -4.81 135.00 130.61 1mp2 s PRO 75 Ca 0.44 2.61 -0.20 0.00 0.02 0.00 0.00 61.00 63.87 1mp2 s PRO 75 Cb -0.10 -3.06 0.05 0.00 0.02 0.00 0.00 34.50 31.40 1mp2 s PRO 75 CO 0.33 -0.74 0.48 0.00 -0.33 0.00 0.00 177.00 176.75 1mp2 s ALA 76 N 0.99 -1.21 0.11 -1.55 0.00 -1.26 -1.02 121.76 117.81 1mp2 s ALA 76 Ca 0.73 0.29 -0.19 0.00 0.00 0.00 0.00 51.96 52.79 1mp2 s ALA 76 Cb -0.50 0.63 0.05 0.00 0.00 0.00 0.00 23.12 23.30 1mp2 s ALA 76 CO 0.35 -0.62 0.47 0.20 0.00 0.00 0.00 175.76 176.15 1mp2 s GLY 77 N -2.51 -0.38 0.67 0.00 0.00 -0.39 -5.00 107.32 99.71 1mp2 s GLY 77 Ca -0.00 0.23 -0.12 0.00 0.00 0.00 0.00 44.72 44.83 1mp2 s GLY 77 CO -0.09 -0.05 1.06 1.08 0.00 0.00 0.00 173.10 175.10 1mp2 s LEU 78 N -2.55 3.24 -1.16 0.66 1.43 -1.26 -1.20 118.68 117.84 1mp2 s LEU 78 Ca 0.00 1.70 -0.04 0.00 -1.03 0.00 0.00 54.13 54.76 1mp2 s LEU 78 Cb 0.01 -4.51 0.24 0.00 0.03 0.00 0.00 46.19 41.95 1mp2 s LEU 78 CO -0.09 -1.40 1.96 0.18 0.23 0.00 0.00 176.35 177.23 1mp2 n LEU 79 N -2.81 7.38 -1.96 1.79 4.77 -0.32 -4.67 117.00 121.18 1mp2 n LEU 79 Ca 0.08 -5.13 -0.00 0.00 -0.03 0.00 0.00 56.01 50.93 1mp2 n LEU 79 Cb 0.53 -1.28 0.35 0.00 -2.33 0.00 0.00 43.42 40.69 1mp2 n LEU 79 CO 0.53 1.93 0.97 -0.90 -1.33 0.00 0.00 177.39 178.59 1mp2 n ASP 80 N 1.12 5.24 -3.97 -1.43 5.68 -1.26 -4.75 116.55 117.18 1mp2 n ASP 80 Ca 0.48 -3.11 -0.30 0.00 -0.50 0.00 0.00 54.79 51.36 1mp2 n ASP 80 Cb 0.28 -0.72 -0.14 0.00 -1.14 0.00 0.00 41.12 39.39 1mp2 n ASP 80 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1mp2 s VAL 81 N -2.91 2.49 -0.03 2.12 1.01 -1.26 -5.08 120.40 116.75 1mp2 s VAL 81 Ca 0.55 -3.03 -0.38 0.00 0.00 0.00 0.00 61.98 59.12 1mp2 s VAL 81 Cb 0.43 -2.76 -0.17 0.00 0.00 0.00 0.00 36.38 33.88 1mp2 s VAL 81 CO 0.15 -0.74 1.41 0.00 0.00 0.00 0.00 175.10 175.92 1mp2 n ALA 82 N 3.45 -1.12 0.00 5.51 0.00 -1.26 -0.81 120.51 126.28 1mp2 n ALA 82 Ca 0.05 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1mp2 n ALA 82 Cb 0.35 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.73 1mp2 n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mp2 n GLY 83 N 2.83 3.06 3.68 0.00 0.00 -1.26 -5.01 105.19 108.48 1mp2 n GLY 83 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1mp2 n GLY 83 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1mp2 s GLU 84 N -0.24 4.26 0.35 1.61 2.12 0.01 -4.98 118.70 121.83 1mp2 s GLU 84 Ca 0.00 1.87 -0.29 0.00 0.36 0.00 0.00 54.97 56.91 1mp2 s GLU 84 Cb 0.00 -3.69 -0.11 0.00 0.26 0.00 0.00 34.13 30.59 1mp2 s GLU 84 CO 0.00 -0.63 1.50 -2.14 -0.54 0.00 0.00 175.26 173.45 1mp2 s PRO 85 N 2.93 4.13 0.28 4.30 0.02 -1.26 -4.82 135.00 140.57 1mp2 s PRO 85 Ca 0.62 2.55 0.01 0.00 0.02 0.00 0.00 61.00 64.20 1mp2 s PRO 85 Cb -0.28 -2.99 0.61 0.00 0.02 0.00 0.00 34.50 31.87 1mp2 s PRO 85 CO 0.23 -0.54 1.74 -1.35 -0.33 0.00 0.00 177.00 176.75 1mp2 h PRO 86 N 3.50 0.54 -0.53 5.54 0.11 -1.98 0.42 132.00 139.60 1mp2 h PRO 86 Ca -0.50 -0.03 0.10 0.00 0.11 0.00 0.00 66.00 65.68 1mp2 h PRO 86 Cb 1.23 -0.12 -0.08 0.00 0.11 0.00 0.00 31.00 32.14 1mp2 h PRO 86 CO 0.68 0.36 0.08 1.25 -0.21 0.00 0.00 178.00 180.15 1mp2 h HIS 87 N 0.56 0.11 0.01 0.65 -0.00 -1.98 0.21 115.15 114.70 1mp2 h HIS 87 Ca 0.50 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.91 1mp2 h HIS 87 Cb 0.81 0.03 0.00 0.00 -0.00 0.00 0.00 27.41 28.25 1mp2 h HIS 87 CO -0.10 -0.05 -0.01 1.25 -0.00 0.00 0.00 177.93 179.03 1mp2 h LEU 88 N 0.20 -0.01 -0.82 0.26 6.46 -1.32 -2.04 115.31 118.05 1mp2 h LEU 88 Ca 0.27 -0.20 0.12 0.00 -0.12 0.00 0.00 57.88 57.95 1mp2 h LEU 88 Cb 0.39 0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 40.24 1mp2 h LEU 88 CO -0.38 0.19 0.43 0.74 -0.62 0.00 0.00 178.44 178.81 1mp2 h THR 89 N -0.22 0.80 -0.69 1.05 2.02 -0.58 0.14 112.91 115.44 1mp2 h THR 89 Ca -0.00 -0.23 -0.05 0.00 0.77 0.00 0.00 66.41 66.90 1mp2 h THR 89 Cb 0.21 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.67 1mp2 h THR 89 CO 0.00 0.12 0.23 0.00 0.37 0.00 0.00 175.52 176.24 1mp2 h ALA 90 N 1.50 0.90 -0.24 6.16 0.00 -0.40 -1.24 119.26 125.93 1mp2 h ALA 90 Ca 0.42 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 1mp2 h ALA 90 Cb 0.51 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1mp2 h ALA 90 CO -0.31 0.56 -0.47 0.00 0.00 0.00 0.00 179.25 179.03 1mp2 h ALA 91 N 1.10 0.72 -0.62 0.00 0.00 -0.60 -1.31 119.26 118.56 1mp2 h ALA 91 Ca 0.22 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1mp2 h ALA 91 Cb 0.28 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1mp2 h ALA 91 CO -0.01 0.67 0.14 -0.09 0.00 0.00 0.00 179.25 179.96 1mp2 h ARG 92 N 0.51 1.00 -0.18 0.00 1.12 -0.81 -2.07 114.38 113.95 1mp2 h ARG 92 Ca 0.03 -0.25 -0.15 0.00 -1.11 0.00 0.00 59.98 58.50 1mp2 h ARG 92 Cb 1.01 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.83 1mp2 h ARG 92 CO 0.09 0.92 -0.52 1.49 -3.11 0.00 0.00 179.97 178.84 1mp2 h GLU 93 N 0.92 0.50 -0.54 0.20 4.57 -1.06 -0.84 114.58 118.33 1mp2 h GLU 93 Ca 0.19 -0.30 -0.07 0.00 -1.18 0.00 0.00 59.36 58.00 1mp2 h GLU 93 Cb 0.37 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 1mp2 h GLU 93 CO 0.00 0.90 0.04 1.25 -1.18 0.00 0.00 179.01 180.02 1mp2 h LEU 94 N 0.39 0.85 0.65 1.64 5.85 -1.07 0.58 115.31 124.20 1mp2 h LEU 94 Ca 0.01 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 1mp2 h LEU 94 Cb 1.04 -0.22 0.01 0.00 0.37 0.00 0.00 40.66 41.85 1mp2 h LEU 94 CO 0.09 0.88 -0.31 -0.09 -0.34 0.00 0.00 178.44 178.68 1mp2 h ARG 95 N 0.83 -0.84 -0.73 1.25 2.43 -1.09 -2.21 114.38 114.01 1mp2 h ARG 95 Ca 0.16 0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.44 1mp2 h ARG 95 Cb 0.43 0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 30.12 1mp2 h ARG 95 CO 0.02 -0.56 0.44 0.93 -1.51 0.00 0.00 179.97 179.28 1mp2 h GLU 96 N -1.17 0.79 0.01 0.20 5.08 -1.13 0.19 114.58 118.55 1mp2 h GLU 96 Ca -0.09 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 1mp2 h GLU 96 Cb 0.67 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.75 1mp2 h GLU 96 CO 0.15 0.52 -0.27 1.49 -1.00 0.00 0.00 179.01 179.90 1mp2 h GLU 97 N 0.82 0.17 0.00 2.33 4.57 -0.97 -3.40 114.58 118.10 1mp2 h GLU 97 Ca 0.32 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1mp2 h GLU 97 Cb 0.14 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1mp2 h GLU 97 CO -0.16 0.94 -0.03 1.33 -1.18 0.00 0.00 179.01 179.91 1mp2 n VAL 98 N -4.49 0.88 -3.53 0.32 0.24 -0.85 -5.02 118.33 105.88 1mp2 n VAL 98 Ca -0.10 -0.94 -0.20 0.00 -2.04 0.00 0.00 64.34 61.05 1mp2 n VAL 98 Cb 0.52 0.47 0.08 0.00 -1.47 0.00 0.00 33.84 33.45 1mp2 n VAL 98 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1mp2 n GLY 99 N -0.53 -0.42 3.19 7.63 0.00 0.65 -4.97 105.19 110.74 1mp2 n GLY 99 Ca 0.03 0.16 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 1mp2 n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mp2 s LEU 100 N -6.75 2.30 0.02 0.99 1.43 -1.13 -1.84 118.68 113.69 1mp2 s LEU 100 Ca 0.23 -0.65 0.05 0.00 -1.03 0.00 0.00 54.13 52.73 1mp2 s LEU 100 Cb -0.10 -0.53 -0.02 0.00 0.03 0.00 0.00 46.19 45.57 1mp2 s LEU 100 CO 0.74 -0.08 -0.15 -1.58 0.23 0.00 0.00 176.35 175.51 1mp2 s GLN 101 N -1.88 1.09 -0.03 1.70 0.74 -0.50 -3.09 119.66 117.69 1mp2 s GLN 101 Ca -0.00 -0.67 0.05 0.00 0.05 0.00 0.00 55.36 54.79 1mp2 s GLN 101 Cb -0.09 -1.09 -0.01 0.00 1.10 0.00 0.00 33.01 32.92 1mp2 s GLN 101 CO 0.02 0.28 -0.19 0.00 -0.55 0.00 0.00 175.29 174.86 1mp2 s ALA 102 N -0.61 1.63 0.18 1.58 0.00 -1.26 -1.06 121.76 122.21 1mp2 s ALA 102 Ca 0.04 -0.79 -0.00 0.00 0.00 0.00 0.00 51.96 51.21 1mp2 s ALA 102 Cb -0.07 -0.48 0.06 0.00 0.00 0.00 0.00 23.12 22.63 1mp2 s ALA 102 CO 0.01 0.34 1.43 0.77 0.00 0.00 0.00 175.76 178.30 1mp2 h SER 103 N 5.98 0.41 -3.89 0.00 0.02 -0.47 -3.45 113.55 112.15 1mp2 h SER 103 Ca -0.35 -0.28 -0.68 0.00 -0.84 0.00 0.00 61.79 59.64 1mp2 h SER 103 Cb 1.16 -0.12 -0.26 0.00 0.14 0.00 0.00 62.40 63.32 1mp2 h SER 103 CO 0.48 1.03 -0.80 -0.89 -1.14 0.00 0.00 176.83 175.51 1mp2 s THR 104 N -3.52 2.81 -0.06 -2.27 2.01 -0.78 -5.02 115.64 108.81 1mp2 s THR 104 Ca -0.05 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.17 1mp2 s THR 104 Cb 0.10 -2.10 0.02 0.00 0.01 0.00 0.00 72.50 70.53 1mp2 s THR 104 CO 0.83 0.57 -0.06 0.26 -0.69 0.00 0.00 174.62 175.53 1mp2 s TRP 105 N -0.36 0.97 0.07 4.92 0.52 -1.26 -1.85 118.94 121.95 1mp2 s TRP 105 Ca 0.03 -0.32 -0.01 0.00 0.02 0.00 0.00 56.10 55.82 1mp2 s TRP 105 Cb -0.12 -0.82 -0.04 0.00 -1.15 0.00 0.00 33.47 31.34 1mp2 s TRP 105 CO 0.02 -0.24 -0.02 -0.65 0.02 0.00 0.00 176.95 176.08 1mp2 s GLN 106 N 0.98 0.70 -0.29 4.98 -0.21 -0.84 -4.43 119.66 120.54 1mp2 s GLN 106 Ca -0.10 -1.27 -0.22 0.00 0.02 0.00 0.00 55.36 53.79 1mp2 s GLN 106 Cb -0.14 0.14 -0.01 0.00 1.00 0.00 0.00 33.01 34.00 1mp2 s GLN 106 CO 0.00 -0.12 0.69 0.08 -2.12 0.00 0.00 175.29 173.83 1mp2 s VAL 107 N -3.89 4.89 -0.09 1.09 1.01 0.20 -0.70 120.40 122.90 1mp2 s VAL 107 Ca 0.10 1.05 -0.03 0.00 0.00 0.00 0.00 61.98 63.10 1mp2 s VAL 107 Cb 0.07 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 1mp2 s VAL 107 CO -0.07 -0.15 -0.07 0.25 0.00 0.00 0.00 175.10 175.07 1mp2 h LEU 108 N 9.22 0.00 -7.00 3.92 5.85 -1.17 -1.47 115.31 124.66 1mp2 h LEU 108 Ca -0.26 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 1mp2 h LEU 108 Cb 1.11 0.00 -0.21 0.00 0.37 0.00 0.00 40.66 41.93 1mp2 h LEU 108 CO 0.83 0.48 0.22 0.54 -0.34 0.00 0.00 178.44 180.17 1mp2 s VAL 109 N -1.68 0.00 0.02 1.05 0.11 -0.90 -4.86 120.40 114.14 1mp2 s VAL 109 Ca -0.05 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.01 1mp2 s VAL 109 Cb 0.01 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.82 1mp2 s VAL 109 CO 0.08 0.00 0.06 -1.81 -3.33 0.00 0.00 175.10 170.10 1mp2 s ASP 110 N -0.25 5.47 -0.02 3.54 1.01 -1.26 -0.15 116.67 125.01 1mp2 s ASP 110 Ca -0.03 0.06 -0.03 0.00 0.71 0.00 0.00 52.55 53.26 1mp2 s ASP 110 Cb -0.03 -1.50 0.00 0.00 1.01 0.00 0.00 42.92 42.40 1mp2 s ASP 110 CO 0.03 0.25 0.07 -1.48 0.21 0.00 0.00 175.17 174.25 1mp2 s LEU 111 N -1.85 1.75 -0.46 1.23 2.34 -0.10 -4.97 118.68 116.62 1mp2 s LEU 111 Ca 0.23 0.05 -0.14 0.00 0.06 0.00 0.00 54.13 54.33 1mp2 s LEU 111 Cb -0.12 0.28 0.07 0.00 -0.56 0.00 0.00 46.19 45.86 1mp2 s LEU 111 CO 0.15 -0.09 0.37 -1.81 -1.06 0.00 0.00 176.35 173.91 1mp2 s ASP 112 N -0.25 6.07 0.09 1.48 1.01 -1.26 -0.51 116.67 123.29 1mp2 s ASP 112 Ca -0.03 -1.34 -0.33 0.00 0.71 0.00 0.00 52.55 51.55 1mp2 s ASP 112 Cb -0.02 -2.15 -0.15 0.00 1.01 0.00 0.00 42.92 41.60 1mp2 s ASP 112 CO 0.00 -0.63 1.52 0.71 0.21 0.00 0.00 175.17 176.99 1mp2 h THR 113 N 5.80 0.00 -2.53 -1.27 1.35 -1.94 -3.37 112.91 110.96 1mp2 h THR 113 Ca -0.28 0.00 -0.60 0.00 -0.55 0.00 0.00 66.41 64.99 1mp2 h THR 113 Cb 1.11 0.00 -0.40 0.00 -1.73 0.00 0.00 68.15 67.12 1mp2 h THR 113 CO 0.86 0.00 -0.79 0.00 -0.25 0.00 0.00 175.52 175.34 1mp2 n ALA 114 N -2.84 3.20 0.18 6.62 0.00 -1.26 -4.95 120.51 121.46 1mp2 n ALA 114 Ca -0.10 -3.94 0.18 0.00 0.00 0.00 0.00 53.44 49.59 1mp2 n ALA 114 Cb 0.41 -0.88 0.77 0.00 0.00 0.00 0.00 19.45 19.75 1mp2 n ALA 114 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1mp2 h PRO 115 N 5.04 0.00 0.00 0.00 0.11 -1.78 -1.79 132.00 133.59 1mp2 h PRO 115 Ca 0.19 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.16 1mp2 h PRO 115 Cb 0.81 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.90 1mp2 h PRO 115 CO 0.59 0.00 -0.65 0.78 -0.21 0.00 0.00 178.00 178.51 1mp2 h GLY 116 N 0.00 0.00 0.00 -0.55 0.00 -1.96 -3.41 103.07 97.16 1mp2 h GLY 116 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1mp2 h GLY 116 CO -0.00 0.00 0.00 1.97 0.00 0.00 0.00 176.54 178.51 1mp2 n PHE 117 N -3.73 0.00 -4.07 5.60 -1.74 -0.79 -5.01 117.46 107.72 1mp2 n PHE 117 Ca -0.01 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.79 1mp2 n PHE 117 Cb 0.65 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.55 1mp2 n PHE 117 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1mp2 s SER 118 N 0.00 0.62 0.00 5.98 0.15 -0.74 0.35 113.70 120.06 1mp2 s SER 118 Ca 0.00 -0.79 0.22 0.00 0.70 0.00 0.00 55.95 56.07 1mp2 s SER 118 Cb 0.00 0.12 0.60 0.00 -1.71 0.00 0.00 66.02 65.03 1mp2 s SER 118 CO 0.00 -0.43 1.50 -0.90 1.20 0.00 0.00 173.24 174.61 1mp2 n ASP 119 N 0.69 3.69 -4.77 5.45 5.68 -0.69 -4.44 116.55 122.16 1mp2 n ASP 119 Ca -0.18 -2.00 -0.40 0.00 -0.50 0.00 0.00 54.79 51.72 1mp2 n ASP 119 Cb 0.58 -0.43 -0.01 0.00 -1.14 0.00 0.00 41.12 40.12 1mp2 n ASP 119 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1mp2 s GLU 120 N -1.13 4.11 0.01 0.11 2.12 -1.26 -4.42 118.70 118.23 1mp2 s GLU 120 Ca 0.46 2.30 0.01 0.00 0.36 0.00 0.00 54.97 58.09 1mp2 s GLU 120 Cb 0.24 -2.91 -0.01 0.00 0.26 0.00 0.00 34.13 31.72 1mp2 s GLU 120 CO 0.32 -0.42 -0.03 0.45 -0.54 0.00 0.00 175.26 175.03 1mp2 s SER 121 N -0.49 0.38 -0.07 -1.70 0.15 -1.26 -3.63 113.70 107.08 1mp2 s SER 121 Ca 0.53 -0.19 0.04 0.00 0.70 0.00 0.00 55.95 57.04 1mp2 s SER 121 Cb -0.41 -0.00 0.00 0.00 -1.71 0.00 0.00 66.02 63.89 1mp2 s SER 121 CO 0.54 -0.05 -0.20 -0.69 1.20 0.00 0.00 173.24 174.04 1mp2 s VAL 122 N -0.46 1.72 -0.24 4.45 1.01 0.33 -2.46 120.40 124.75 1mp2 s VAL 122 Ca -0.03 -0.84 -0.10 0.00 0.00 0.00 0.00 61.98 61.01 1mp2 s VAL 122 Cb -0.04 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 1mp2 s VAL 122 CO -0.00 0.49 0.14 -0.60 0.00 0.00 0.00 175.10 175.12 1mp2 s ARG 123 N 0.26 3.99 -0.21 2.72 3.52 -0.75 -0.92 118.95 127.56 1mp2 s ARG 123 Ca -0.12 -0.31 -0.07 0.00 -0.13 0.00 0.00 55.73 55.10 1mp2 s ARG 123 Cb -0.15 -3.49 -0.03 0.00 -1.56 0.00 0.00 34.95 29.71 1mp2 s ARG 123 CO 0.05 0.02 0.05 0.08 -0.81 0.00 0.00 175.30 174.70 1mp2 s VAL 124 N 1.14 4.44 0.13 7.11 1.01 0.79 -1.35 120.40 133.66 1mp2 s VAL 124 Ca 0.07 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.93 1mp2 s VAL 124 Cb -0.14 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 1mp2 s VAL 124 CO 0.05 0.40 0.18 -0.31 0.00 0.00 0.00 175.10 175.42 1mp2 s TYR 125 N 1.01 3.32 -0.31 5.22 2.02 -0.30 -0.64 117.35 127.66 1mp2 s TYR 125 Ca 0.04 0.08 -0.07 0.00 -0.37 0.00 0.00 57.07 56.75 1mp2 s TYR 125 Cb -0.14 -1.62 0.02 0.00 -0.40 0.00 0.00 41.96 39.82 1mp2 s TYR 125 CO 0.03 0.53 0.10 -1.17 -1.57 0.00 0.00 175.55 173.47 1mp2 s LEU 126 N -2.92 4.06 -0.15 -1.29 2.96 0.12 -0.22 118.68 121.23 1mp2 s LEU 126 Ca 0.32 -0.85 -0.03 0.00 -0.22 0.00 0.00 54.13 53.35 1mp2 s LEU 126 Cb -0.11 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.66 1mp2 s LEU 126 CO 0.25 -0.25 -0.06 0.00 -1.32 0.00 0.00 176.35 174.98 1mp2 s ALA 127 N 1.48 2.91 0.33 5.97 0.00 -0.32 -1.98 121.76 130.15 1mp2 s ALA 127 Ca 0.01 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.16 1mp2 s ALA 127 Cb -0.18 -1.49 -0.04 0.00 0.00 0.00 0.00 23.12 21.41 1mp2 s ALA 127 CO 0.03 0.19 0.12 0.95 0.00 0.00 0.00 175.76 177.06 1mp2 s THR 128 N 0.41 0.61 -0.60 0.00 -4.23 -0.77 -1.54 115.64 109.51 1mp2 s THR 128 Ca -0.05 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.43 1mp2 s THR 128 Cb -0.15 -2.54 -0.03 0.00 1.34 0.00 0.00 72.50 71.12 1mp2 s THR 128 CO 0.03 0.00 0.54 0.61 -0.54 0.00 0.00 174.62 175.26 1mp2 n GLY 129 N -0.68 -0.53 3.82 3.99 0.00 -1.26 -1.87 105.19 108.66 1mp2 n GLY 129 Ca -0.02 0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 1mp2 n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mp2 s LEU 130 N -4.15 4.32 -0.01 0.99 1.43 -1.26 -0.66 118.68 119.34 1mp2 s LEU 130 Ca 0.21 1.33 0.02 0.00 -1.03 0.00 0.00 54.13 54.66 1mp2 s LEU 130 Cb -0.03 -3.56 -0.00 0.00 0.03 0.00 0.00 46.19 42.63 1mp2 s LEU 130 CO 0.46 0.03 -0.08 -0.13 0.23 0.00 0.00 176.35 176.86 1mp2 s ARG 131 N -2.06 0.71 -0.40 1.70 1.81 -0.23 -4.98 118.95 115.50 1mp2 s ARG 131 Ca 0.43 -0.29 -0.20 0.00 -1.72 0.00 0.00 55.73 53.95 1mp2 s ARG 131 Cb -0.16 -0.69 0.01 0.00 -0.45 0.00 0.00 34.95 33.67 1mp2 s ARG 131 CO 0.20 0.16 0.61 -1.21 -0.68 0.00 0.00 175.30 174.38 1mp2 s GLU 132 N -0.10 3.41 0.51 3.54 2.02 -1.26 -1.40 118.70 125.41 1mp2 s GLU 132 Ca 0.02 -0.27 0.04 0.00 0.02 0.00 0.00 54.97 54.78 1mp2 s GLU 132 Cb -0.04 -3.90 0.00 0.00 0.10 0.00 0.00 34.13 30.29 1mp2 s GLU 132 CO -0.00 -0.88 0.23 0.14 0.02 0.00 0.00 175.26 174.77 1mp2 s VAL 133 N 2.68 1.62 0.00 2.63 -7.23 -0.77 -5.01 120.40 114.32 1mp2 s VAL 133 Ca 0.22 -1.70 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 1mp2 s VAL 133 Cb -0.15 -2.31 0.00 0.00 0.56 0.00 0.00 36.38 34.48 1mp2 s VAL 133 CO 0.17 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.57 1mp2 n GLY 134 N -1.50 0.18 0.00 2.32 0.00 -1.26 -4.66 105.19 100.27 1mp2 n GLY 134 Ca -0.07 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1mp2 n GLY 134 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1mp2 n ARG 135 N 0.01 0.00 -3.05 1.61 3.00 -1.26 -5.22 116.66 111.75 1mp2 n ARG 135 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.52 1mp2 n ARG 135 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.40 1mp2 n ARG 135 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1mp2 s THR 146 N 0.00 4.58 0.15 5.15 2.01 -1.26 -5.27 115.64 121.00 1mp2 s THR 146 Ca 0.00 1.15 -0.22 0.00 0.31 0.00 0.00 61.69 62.94 1mp2 s THR 146 Cb 0.00 -3.67 0.06 0.00 0.01 0.00 0.00 72.50 68.91 1mp2 s THR 146 CO 0.00 -0.13 0.56 0.00 -0.69 0.00 0.00 174.62 174.35 1mp2 s MET 147 N -2.82 1.23 0.05 4.92 0.00 -1.26 -2.26 119.30 119.16 1mp2 s MET 147 Ca 0.54 -0.51 -0.10 0.00 0.00 0.00 0.00 55.69 55.62 1mp2 s MET 147 Cb -0.11 0.56 0.00 0.00 0.00 0.00 0.00 34.83 35.28 1mp2 s MET 147 CO 0.17 -0.53 0.21 0.20 0.00 0.00 0.00 175.02 175.07 1mp2 s GLY 148 N -2.74 0.03 -0.23 3.16 0.00 0.13 -4.95 107.32 102.72 1mp2 s GLY 148 Ca 0.01 -0.32 -0.08 0.00 0.00 0.00 0.00 44.72 44.34 1mp2 s GLY 148 CO -0.12 -0.50 0.08 -0.98 0.00 0.00 0.00 173.10 171.57 1mp2 s TRP 149 N -2.82 3.15 -0.01 1.90 0.52 -1.26 0.07 118.94 120.49 1mp2 s TRP 149 Ca -0.03 -0.19 0.07 0.00 0.02 0.00 0.00 56.10 55.97 1mp2 s TRP 149 Cb 0.00 -2.19 -0.02 0.00 -1.15 0.00 0.00 33.47 30.11 1mp2 s TRP 149 CO -0.05 -0.16 -0.22 0.71 0.02 0.00 0.00 176.95 177.25 1mp2 s TYR 150 N 1.17 1.99 0.46 -1.98 1.51 -0.06 -4.92 117.35 115.51 1mp2 s TYR 150 Ca 0.05 -0.38 -0.23 0.00 -1.01 0.00 0.00 57.07 55.50 1mp2 s TYR 150 Cb -0.14 -1.27 -0.07 0.00 -0.11 0.00 0.00 41.96 40.36 1mp2 s TYR 150 CO 0.04 -0.02 1.20 -2.14 -1.11 0.00 0.00 175.55 173.52 1mp2 s PRO 151 N -0.57 3.73 0.28 -1.71 0.02 -1.26 -1.20 135.00 134.29 1mp2 s PRO 151 Ca 0.09 1.88 0.01 0.00 0.02 0.00 0.00 61.00 62.99 1mp2 s PRO 151 Cb -0.09 -2.45 0.55 0.00 0.02 0.00 0.00 34.50 32.53 1mp2 s PRO 151 CO -0.01 -0.60 1.82 0.82 -0.33 0.00 0.00 177.00 178.70 1mp2 h ILE 152 N 1.93 0.88 -0.55 2.83 2.04 -1.76 -0.16 117.51 122.72 1mp2 h ILE 152 Ca -0.49 -0.31 -0.07 0.00 1.00 0.00 0.00 64.86 64.98 1mp2 h ILE 152 Cb 1.25 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1mp2 h ILE 152 CO 0.60 0.17 0.05 0.00 0.00 0.00 0.00 178.15 178.97 1mp2 h ALA 153 N 1.54 1.05 -0.31 1.87 0.00 -1.90 -0.03 119.26 121.48 1mp2 h ALA 153 Ca 0.49 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 55.01 1mp2 h ALA 153 Cb 0.54 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1mp2 h ALA 153 CO -0.29 0.60 -0.33 1.49 0.00 0.00 0.00 179.25 180.72 1mp2 h GLU 154 N 0.85 0.78 -0.89 0.00 4.57 -1.62 -1.36 114.58 116.91 1mp2 h GLU 154 Ca 0.17 -0.42 0.01 0.00 -1.18 0.00 0.00 59.36 57.94 1mp2 h GLU 154 Cb 0.43 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.99 1mp2 h GLU 154 CO 0.01 1.05 0.59 0.00 -1.18 0.00 0.00 179.01 179.49 1mp2 h ALA 155 N 0.72 1.38 -0.49 2.92 0.00 -0.76 0.93 119.26 123.96 1mp2 h ALA 155 Ca 0.05 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1mp2 h ALA 155 Cb 0.92 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1mp2 h ALA 155 CO 0.08 0.57 0.09 0.00 0.00 0.00 0.00 179.25 179.99 1mp2 h ALA 156 N 1.45 0.64 -0.04 0.00 0.00 -0.74 -2.11 119.26 118.46 1mp2 h ALA 156 Ca 0.33 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1mp2 h ALA 156 Cb -0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1mp2 h ALA 156 CO -0.08 0.36 -0.34 0.00 0.00 0.00 0.00 179.25 179.19 1mp2 h ARG 157 N 0.67 0.08 -0.64 0.00 3.08 -0.38 -2.31 114.38 114.88 1mp2 h ARG 157 Ca 0.15 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.09 1mp2 h ARG 157 Cb 0.37 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 1mp2 h ARG 157 CO 0.01 0.41 0.08 0.00 -1.07 0.00 0.00 179.97 179.39 1mp2 h ARG 158 N 0.07 1.07 0.57 0.04 3.08 -0.40 -1.81 114.38 117.00 1mp2 h ARG 158 Ca 0.01 -0.30 -0.02 0.00 0.07 0.00 0.00 59.98 59.73 1mp2 h ARG 158 Cb 0.63 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 1mp2 h ARG 158 CO 0.05 1.00 -0.32 0.28 -1.07 0.00 0.00 179.97 179.91 1mp2 h VAL 159 N 0.98 0.34 0.00 2.04 2.07 -0.93 0.52 116.25 121.27 1mp2 h VAL 159 Ca 0.19 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.71 1mp2 h VAL 159 Cb 0.47 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1mp2 h VAL 159 CO 0.02 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.79 1mp2 n LEU 160 N -5.47 0.00 -0.21 2.57 7.99 -0.91 -1.13 117.00 119.84 1mp2 n LEU 160 Ca -0.12 0.06 0.03 0.00 -0.01 0.00 0.00 56.01 55.97 1mp2 n LEU 160 Cb 0.36 -0.06 0.01 0.00 -0.11 0.00 0.00 43.42 43.62 1mp2 n LEU 160 CO 0.36 -0.04 0.27 -1.14 -1.51 0.00 0.00 177.39 175.32 1mp2 n ARG 161 N -1.06 1.09 -0.87 3.23 0.63 -0.69 -5.00 116.66 113.99 1mp2 n ARG 161 Ca 0.06 -0.70 0.00 0.00 -0.92 0.00 0.00 57.85 56.29 1mp2 n ARG 161 Cb 0.04 -1.05 0.00 0.00 0.45 0.00 0.00 32.46 31.90 1mp2 n ARG 161 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1mp2 n GLY 162 N 0.55 0.71 0.14 5.14 0.00 -0.28 -4.91 105.19 106.55 1mp2 n GLY 162 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1mp2 n GLY 162 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1mp2 h GLU 163 N 2.15 0.00 -4.29 1.61 5.08 -1.14 -3.41 114.58 114.58 1mp2 h GLU 163 Ca 0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 1mp2 h GLU 163 Cb 0.00 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 28.87 1mp2 h GLU 163 CO 0.00 0.00 -0.80 0.42 -1.00 0.00 0.00 179.01 177.63 1mp2 s ILE 164 N -3.15 1.28 0.00 3.13 1.01 -1.19 -4.63 121.20 117.65 1mp2 s ILE 164 Ca 0.09 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.99 1mp2 s ILE 164 Cb 0.10 -1.42 0.00 0.00 0.01 0.00 0.00 42.46 41.15 1mp2 s ILE 164 CO 0.63 0.14 0.00 1.33 0.00 0.00 0.00 174.94 177.04 1mp2 n VAL 165 N 4.81 0.00 -1.66 2.92 0.24 -1.26 -4.54 118.33 118.84 1mp2 n VAL 165 Ca -0.13 0.00 -0.51 0.00 -2.04 0.00 0.00 64.34 61.66 1mp2 n VAL 165 Cb 0.47 0.47 -0.06 0.00 -1.47 0.00 0.00 33.84 33.25 1mp2 n VAL 165 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1mp2 n ASN 166 N -1.48 2.63 -0.15 -1.34 2.85 -1.26 -4.82 115.26 111.69 1mp2 n ASN 166 Ca 0.00 1.06 0.07 0.00 -0.11 0.00 0.00 54.58 55.60 1mp2 n ASN 166 Cb 0.01 -1.28 0.38 0.00 1.24 0.00 0.00 39.78 40.13 1mp2 n ASN 166 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1mp2 h SER 167 N 6.72 0.60 -0.33 1.20 4.64 -1.96 -0.09 113.55 124.34 1mp2 h SER 167 Ca -0.47 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.69 1mp2 h SER 167 Cb 1.30 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1mp2 h SER 167 CO 0.89 0.39 -0.41 0.40 -0.87 0.00 0.00 176.83 177.23 1mp2 h ILE 168 N 0.69 1.28 -0.48 0.95 2.04 -2.00 -2.59 117.51 117.40 1mp2 h ILE 168 Ca 0.29 -1.59 -0.09 0.00 1.00 0.00 0.00 64.86 64.47 1mp2 h ILE 168 Cb 0.28 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 1mp2 h ILE 168 CO -0.09 0.52 -0.07 0.00 0.00 0.00 0.00 178.15 178.51 1mp2 h ALA 169 N 0.72 0.65 -0.03 1.87 0.00 -1.76 -1.42 119.26 119.31 1mp2 h ALA 169 Ca 0.04 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1mp2 h ALA 169 Cb 1.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1mp2 h ALA 169 CO 0.10 0.51 -0.04 0.82 0.00 0.00 0.00 179.25 180.64 1mp2 h ILE 170 N 0.74 0.89 0.07 0.00 2.04 -1.01 -0.12 117.51 120.13 1mp2 h ILE 170 Ca 0.13 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.99 1mp2 h ILE 170 Cb 0.60 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1mp2 h ILE 170 CO 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 178.15 178.10 1mp2 h ALA 171 N 0.96 -0.16 -0.20 1.87 0.00 -1.40 -1.16 119.26 119.18 1mp2 h ALA 171 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1mp2 h ALA 171 Cb 0.09 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1mp2 h ALA 171 CO -0.06 -0.61 0.13 0.78 0.00 0.00 0.00 179.25 179.50 1mp2 h GLY 172 N -0.19 0.28 0.84 0.00 0.00 -1.13 0.56 103.07 103.43 1mp2 h GLY 172 Ca 0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 1mp2 h GLY 172 CO -0.04 0.10 -0.02 -2.08 0.00 0.00 0.00 176.54 174.51 1mp2 h VAL 173 N 0.27 1.08 0.00 4.60 2.07 -0.96 -0.92 116.25 122.39 1mp2 h VAL 173 Ca 0.07 -0.38 -0.08 0.00 0.82 0.00 0.00 66.70 67.14 1mp2 h VAL 173 Cb -0.03 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1mp2 h VAL 173 CO -0.02 0.10 -0.38 -0.07 0.02 0.00 0.00 177.57 177.22 1mp2 h LEU 174 N -0.22 0.00 -0.08 2.57 3.38 -1.19 -0.90 115.31 118.87 1mp2 h LEU 174 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1mp2 h LEU 174 Cb 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1mp2 h LEU 174 CO 0.01 0.38 -0.09 0.00 0.09 0.00 0.00 178.44 178.82 1mp2 h ALA 175 N 1.62 0.12 0.00 1.53 0.00 -0.73 -1.58 119.26 120.22 1mp2 h ALA 175 Ca -0.00 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 1mp2 h ALA 175 Cb 0.78 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1mp2 h ALA 175 CO 0.05 -0.05 -0.38 -0.24 0.00 0.00 0.00 179.25 178.63 1mp2 h VAL 176 N -0.23 1.14 -0.50 0.00 3.04 -1.09 -2.12 116.25 116.49 1mp2 h VAL 176 Ca 0.01 -1.36 -0.04 0.00 -1.01 0.00 0.00 66.70 64.29 1mp2 h VAL 176 Cb 0.62 1.76 -0.02 0.00 -2.01 0.00 0.00 31.29 31.64 1mp2 h VAL 176 CO 0.02 0.37 0.15 -0.74 -1.01 0.00 0.00 177.57 176.36 1mp2 h HIS 177 N 0.00 0.82 0.00 3.17 6.17 -1.03 0.21 115.15 124.49 1mp2 h HIS 177 Ca -0.00 -0.09 -0.04 0.00 0.71 0.00 0.00 60.37 60.95 1mp2 h HIS 177 Cb 0.73 -0.24 -0.01 0.00 2.52 0.00 0.00 27.41 30.42 1mp2 h HIS 177 CO 0.00 0.72 -0.20 0.00 0.71 0.00 0.00 177.93 179.16 1mp2 h ALA 178 N 1.01 1.47 0.02 5.26 0.00 -0.83 -2.40 119.26 123.78 1mp2 h ALA 178 Ca 0.16 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1mp2 h ALA 178 Cb 0.29 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1mp2 h ALA 178 CO -0.00 0.25 -0.41 0.28 0.00 0.00 0.00 179.25 179.36 1mp2 h VAL 179 N 0.00 1.54 0.00 0.00 2.07 -0.70 -0.59 116.25 118.56 1mp2 h VAL 179 Ca -0.00 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 65.39 1mp2 h VAL 179 Cb 0.40 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 1mp2 h VAL 179 CO 0.03 0.59 0.00 0.35 0.02 0.00 0.00 177.57 178.56 1mp2 n THR 180 N -4.38 0.65 0.81 2.57 -2.24 0.65 -1.64 114.28 110.70 1mp2 n THR 180 Ca -0.11 0.16 0.11 0.00 -2.27 0.00 0.00 64.05 61.94 1mp2 n THR 180 Cb 0.60 -0.89 0.10 0.00 -2.10 0.00 0.00 70.33 68.05 1mp2 n THR 180 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1mp2 n THR 181 N -1.36 0.07 -0.53 4.28 -2.24 -0.92 -4.94 114.28 108.64 1mp2 n THR 181 Ca 0.06 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1mp2 n THR 181 Cb 0.15 1.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.76 1mp2 n THR 181 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mp2 n GLY 182 N 1.22 1.29 0.32 3.38 0.00 -0.65 -4.92 105.19 105.83 1mp2 n GLY 182 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 1mp2 n GLY 182 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1mp2 h PHE 183 N 0.00 1.16 -4.63 1.61 3.57 -1.36 -3.47 116.94 113.82 1mp2 h PHE 183 Ca 0.00 -0.16 -0.44 0.00 3.53 0.00 0.00 57.97 60.91 1mp2 h PHE 183 Cb 0.00 -0.32 -0.12 0.00 2.79 0.00 0.00 35.95 38.31 1mp2 h PHE 183 CO 0.00 0.97 -0.42 0.00 -2.23 0.00 0.00 178.31 176.63 1mp2 n ALA 184 N -2.47 0.59 -2.44 2.41 0.00 -0.44 -4.98 120.51 113.18 1mp2 n ALA 184 Ca 0.04 -1.82 -0.18 0.00 0.00 0.00 0.00 53.44 51.48 1mp2 n ALA 184 Cb 0.29 1.47 -0.11 0.00 0.00 0.00 0.00 19.45 21.11 1mp2 n ALA 184 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1mp2 s GLN 185 N -3.24 1.12 0.00 0.00 -1.52 -1.26 -4.31 119.66 110.45 1mp2 s GLN 185 Ca 0.37 -1.34 0.00 0.00 -1.95 0.00 0.00 55.36 52.44 1mp2 s GLN 185 Cb 0.02 -0.99 0.00 0.00 -0.22 0.00 0.00 33.01 31.82 1mp2 s GLN 185 CO 0.26 0.18 0.00 -2.30 -0.25 0.00 0.00 175.29 173.19 1mp2 n PRO 186 N 0.29 1.23 -3.65 2.91 -0.02 -1.26 -5.02 135.00 129.47 1mp2 n PRO 186 Ca -0.13 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.24 1mp2 n PRO 186 Cb 0.58 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 34.01 1mp2 n PRO 186 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1mp2 s ARG 187 N 0.00 1.04 0.59 -0.52 0.52 -0.55 -4.93 118.95 115.10 1mp2 s ARG 187 Ca 0.00 -0.72 -0.20 0.00 -0.52 0.00 0.00 55.73 54.30 1mp2 s ARG 187 Cb 0.00 0.46 -0.03 0.00 0.52 0.00 0.00 34.95 35.89 1mp2 s ARG 187 CO 0.00 -0.40 1.31 -2.14 0.02 0.00 0.00 175.30 174.09 1mp2 s PRO 188 N -3.75 2.87 0.53 3.54 0.02 -1.26 0.60 135.00 137.54 1mp2 s PRO 188 Ca 0.03 2.12 0.19 0.00 0.02 0.00 0.00 61.00 63.35 1mp2 s PRO 188 Cb 0.02 -2.04 1.34 0.00 0.02 0.00 0.00 34.50 33.83 1mp2 s PRO 188 CO -0.12 -1.37 2.14 -0.07 -0.33 0.00 0.00 177.00 177.26 1mp2 h LEU 189 N 1.01 0.00 0.00 -5.54 3.38 -1.91 -1.30 115.31 110.94 1mp2 h LEU 189 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1mp2 h LEU 189 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1mp2 h LEU 189 CO 0.55 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.18 1mp2 n ASP 190 N -4.45 0.00 -4.74 -0.43 5.75 -1.26 -4.87 116.55 106.56 1mp2 n ASP 190 Ca -0.01 -1.89 -0.42 0.00 -0.01 0.00 0.00 54.79 52.46 1mp2 n ASP 190 Cb 0.16 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.24 1mp2 n ASP 190 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1mp2 n THR 191 N -0.52 1.26 -2.08 2.12 -1.04 -0.49 -4.90 114.28 108.63 1mp2 n THR 191 Ca 0.01 -0.31 -0.42 0.00 -2.04 0.00 0.00 64.05 61.29 1mp2 n THR 191 Cb 0.01 -1.87 -0.03 0.00 -1.82 0.00 0.00 70.33 66.62 1mp2 n THR 191 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1mp2 s GLU 192 N -0.88 4.29 -0.75 -2.82 2.12 -1.26 -4.96 118.70 114.44 1mp2 s GLU 192 Ca 0.62 2.19 -0.15 0.00 0.36 0.00 0.00 54.97 58.00 1mp2 s GLU 192 Cb -0.52 -3.19 0.19 0.00 0.26 0.00 0.00 34.13 30.87 1mp2 s GLU 192 CO 0.52 -0.47 0.70 -0.46 -0.54 0.00 0.00 175.26 175.01 1mp2 s TRP 193 N 0.89 3.60 0.24 5.30 -0.11 -1.26 -4.94 118.94 122.66 1mp2 s TRP 193 Ca 0.65 -1.78 -0.05 0.00 1.22 0.00 0.00 56.10 56.14 1mp2 s TRP 193 Cb -0.40 -3.82 0.38 0.00 -1.50 0.00 0.00 33.47 28.13 1mp2 s TRP 193 CO 0.33 -1.01 1.78 0.82 -4.62 0.00 0.00 176.95 174.25 1mp2 h ILE 194 N 5.12 0.82 -0.41 5.86 2.04 -2.03 -3.14 117.51 125.76 1mp2 h ILE 194 Ca -0.01 -0.21 -0.16 0.00 1.00 0.00 0.00 64.86 65.48 1mp2 h ILE 194 Cb 1.06 0.15 -0.10 0.00 -0.74 0.00 0.00 36.82 37.19 1mp2 h ILE 194 CO 0.84 0.11 0.04 0.47 0.00 0.00 0.00 178.15 179.62 1mp2 n ASP 195 N -4.85 3.20 -4.68 1.72 8.00 -1.26 -5.00 116.55 113.68 1mp2 n ASP 195 Ca 0.13 -3.48 -0.46 0.00 0.71 0.00 0.00 54.79 51.68 1mp2 n ASP 195 Cb 0.31 -0.64 -0.04 0.00 -0.02 0.00 0.00 41.12 40.73 1mp2 n ASP 195 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1mp2 n ARG 196 N -0.87 2.28 -1.85 -1.24 0.63 -1.19 -4.38 116.66 110.04 1mp2 n ARG 196 Ca 0.33 0.83 -0.34 0.00 -0.92 0.00 0.00 57.85 57.74 1mp2 n ARG 196 Cb 1.08 -2.63 0.04 0.00 0.45 0.00 0.00 32.46 31.40 1mp2 n ARG 196 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 1mp2 s PRO 197 N 1.83 2.82 0.00 -0.14 0.02 -1.26 -4.96 135.00 133.30 1mp2 s PRO 197 Ca 0.82 1.60 0.00 0.00 0.02 0.00 0.00 61.00 63.44 1mp2 s PRO 197 Cb -0.64 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 31.94 1mp2 s PRO 197 CO 0.40 -1.28 0.00 0.25 -0.33 0.00 0.00 177.00 176.05 1mp2 n THR 198 N -2.07 0.00 0.14 0.99 -2.24 -1.26 -4.89 114.28 104.95 1mp2 n THR 198 Ca 0.12 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.76 1mp2 n THR 198 Cb 0.51 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.67 1mp2 n THR 198 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mp2 h ALA 199 N 0.00 -0.35 -0.65 6.98 0.00 -1.93 -0.26 119.26 123.05 1mp2 h ALA 199 Ca 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1mp2 h ALA 199 Cb 0.00 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1mp2 h ALA 199 CO 0.00 -0.71 0.31 0.35 0.00 0.00 0.00 179.25 179.20 1mp2 h PHE 200 N -0.37 0.93 -0.73 0.00 3.57 -1.89 -2.47 116.94 115.98 1mp2 h PHE 200 Ca -0.01 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1mp2 h PHE 200 Cb 0.34 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 1mp2 h PHE 200 CO -0.12 0.70 0.41 0.00 -2.23 0.00 0.00 178.31 177.07 1mp2 h ALA 201 N 1.14 0.93 0.00 2.41 0.00 -1.81 -2.38 119.26 119.55 1mp2 h ALA 201 Ca 0.22 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1mp2 h ALA 201 Cb 0.11 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1mp2 h ALA 201 CO -0.03 0.43 -0.03 0.00 0.00 0.00 0.00 179.25 179.62 1mp2 h ALA 202 N 1.21 1.65 -0.51 0.00 0.00 -0.59 -2.37 119.26 118.64 1mp2 h ALA 202 Ca 0.26 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1mp2 h ALA 202 Cb 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1mp2 h ALA 202 CO -0.04 0.04 0.05 0.00 0.00 0.00 0.00 179.25 179.30 1mp2 h ARG 203 N 0.00 0.81 -6.36 0.00 3.08 -1.08 -3.47 114.38 107.37 1mp2 h ARG 203 Ca -0.00 -0.20 -0.48 0.00 0.07 0.00 0.00 59.98 59.37 1mp2 h ARG 203 Cb 0.07 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 29.97 1mp2 h ARG 203 CO 0.00 0.78 -0.80 0.54 -1.07 0.00 0.00 179.97 179.43 1mp2 n ARG 204 N -4.24 -4.74 -2.28 0.04 1.74 -0.90 -4.85 116.66 101.44 1mp2 n ARG 204 Ca 0.03 0.54 -0.39 0.00 -0.77 0.00 0.00 57.85 57.26 1mp2 n ARG 204 Cb 0.27 -5.24 -0.02 0.00 -1.02 0.00 0.00 32.46 26.45 1mp2 n ARG 204 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mp2 n ALA 205 N -4.52 3.24 -3.64 7.54 0.00 -1.26 -4.84 120.51 117.04 1mp2 n ALA 205 Ca -0.07 -3.59 -0.08 0.00 0.00 0.00 0.00 53.44 49.70 1mp2 n ALA 205 Cb 0.57 -3.57 -0.07 0.00 0.00 0.00 0.00 19.45 16.39 1mp2 n ALA 205 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1mp2 s GLU 206 N 4.80 0.41 0.00 0.00 -1.05 -1.26 -5.09 118.70 116.51 1mp2 s GLU 206 Ca 0.58 0.45 0.00 0.00 -0.15 0.00 0.00 54.97 55.85 1mp2 s GLU 206 Cb 0.04 0.20 0.00 0.00 -0.44 0.00 0.00 34.13 33.93 1mp2 s GLU 206 CO 0.08 -0.06 0.00 -2.13 0.95 0.00 0.00 175.26 174.10