#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b4t s ARG 3 N 0.00 4.01 0.08 1.97 0.52 -1.26 -5.01 118.95 119.26 3b4t s ARG 3 Ca 0.00 0.60 -0.29 0.00 -0.52 0.00 0.00 55.73 55.52 3b4t s ARG 3 Cb 0.00 -2.65 -0.16 0.00 0.52 0.00 0.00 34.95 32.66 3b4t s ARG 3 CO 0.00 0.29 1.66 0.93 0.02 0.00 0.00 175.30 178.21 3b4t h GLU 4 N 2.77 -0.54 0.00 3.54 4.39 -1.99 -2.48 114.58 120.27 3b4t h GLU 4 Ca -0.48 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.26 3b4t h GLU 4 Cb 1.18 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 3b4t h GLU 4 CO 0.66 -0.36 0.00 -0.40 -1.16 0.00 0.00 179.01 177.75 3b4t n ASP 5 N -5.35 0.00 0.00 1.42 5.68 -1.26 -4.78 116.55 112.26 3b4t n ASP 5 Ca -0.10 -1.12 0.00 0.00 -0.50 0.00 0.00 54.79 53.07 3b4t n ASP 5 Cb 0.25 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 3b4t n ASP 5 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3b4t n GLY 6 N 0.12 0.63 3.80 6.12 0.00 -0.93 -5.03 105.19 109.90 3b4t n GLY 6 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 3b4t n GLY 6 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3b4t s ARG 7 N -0.13 4.25 0.00 1.61 0.52 -1.26 -4.96 118.95 118.98 3b4t s ARG 7 Ca 0.00 1.30 0.00 0.00 -0.52 0.00 0.00 55.73 56.51 3b4t s ARG 7 Cb 0.00 -2.42 0.00 0.00 0.52 0.00 0.00 34.95 33.05 3b4t s ARG 7 CO 0.00 -0.03 0.00 1.28 0.02 0.00 0.00 175.30 176.57 3b4t n LEU 8 N -0.23 0.00 0.03 2.53 4.77 -1.26 -4.01 117.00 118.84 3b4t n LEU 8 Ca 0.05 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.98 3b4t n LEU 8 Cb 0.52 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.50 3b4t n LEU 8 CO 0.41 -1.01 -0.15 0.44 -1.33 0.00 0.00 177.39 175.75 3b4t h ASP 9 N -1.09 0.00 -0.05 -1.43 3.32 -1.97 -3.39 116.42 111.81 3b4t h ASP 9 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3b4t h ASP 9 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3b4t h ASP 9 CO 0.00 0.87 0.00 0.00 -1.72 0.00 0.00 179.24 178.39 3b4t n HIS 10 N -3.14 0.04 -3.98 4.55 1.44 -1.26 -1.47 115.22 111.39 3b4t n HIS 10 Ca -0.08 -0.03 -0.31 0.00 -2.01 0.00 0.00 57.72 55.29 3b4t n HIS 10 Cb 0.94 -0.00 -0.05 0.00 0.12 0.00 0.00 29.99 31.00 3b4t n HIS 10 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 3b4t s GLU 11 N -1.38 3.23 0.65 -1.40 -1.05 -1.26 -4.76 118.70 112.73 3b4t s GLU 11 Ca 0.20 -0.51 -0.11 0.00 -0.15 0.00 0.00 54.97 54.41 3b4t s GLU 11 Cb 0.14 -2.93 -0.02 0.00 -0.44 0.00 0.00 34.13 30.88 3b4t s GLU 11 CO 0.21 0.61 1.04 -0.51 0.95 0.00 0.00 175.26 177.57 3b4t s LEU 12 N -2.31 3.16 0.85 1.83 1.02 -1.26 -4.80 118.68 117.17 3b4t s LEU 12 Ca 0.31 1.44 -0.11 0.00 0.02 0.00 0.00 54.13 55.79 3b4t s LEU 12 Cb -0.13 -4.42 0.10 0.00 0.02 0.00 0.00 46.19 41.77 3b4t s LEU 12 CO 0.23 -1.08 1.09 -0.13 0.02 0.00 0.00 176.35 176.48 3b4t s ARG 13 N -5.16 1.66 0.23 1.70 0.52 -1.26 -4.94 118.95 111.69 3b4t s ARG 13 Ca 0.56 0.97 -0.32 0.00 -0.52 0.00 0.00 55.73 56.43 3b4t s ARG 13 Cb -0.12 -1.84 -0.13 0.00 0.52 0.00 0.00 34.95 33.38 3b4t s ARG 13 CO 0.54 -2.00 1.51 -2.30 0.02 0.00 0.00 175.30 173.06 3b4t n PRO 14 N -3.74 2.23 -4.38 3.54 -0.02 -1.26 -4.60 135.00 126.76 3b4t n PRO 14 Ca 0.08 0.80 -0.34 0.00 -2.02 0.00 0.00 63.50 62.02 3b4t n PRO 14 Cb 0.54 -2.52 -0.13 0.00 -0.02 0.00 0.00 33.50 31.38 3b4t n PRO 14 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3b4t s VAL 15 N 0.29 3.70 -0.09 -1.45 1.01 -1.26 -1.30 120.40 121.30 3b4t s VAL 15 Ca 0.71 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 62.29 3b4t s VAL 15 Cb -0.62 -2.62 0.01 0.00 0.00 0.00 0.00 36.38 33.14 3b4t s VAL 15 CO 0.45 0.48 -0.17 -0.63 0.00 0.00 0.00 175.10 175.23 3b4t s ILE 16 N 0.54 1.56 -0.19 2.22 1.01 -0.77 -4.98 121.20 120.60 3b4t s ILE 16 Ca -0.04 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 59.91 3b4t s ILE 16 Cb -0.15 -1.40 0.03 0.00 0.01 0.00 0.00 42.46 40.96 3b4t s ILE 16 CO 0.03 0.45 -0.14 -0.63 0.00 0.00 0.00 174.94 174.65 3b4t s ILE 17 N 0.68 1.77 -0.33 2.92 1.01 -1.26 -0.75 121.20 125.25 3b4t s ILE 17 Ca -0.13 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.60 3b4t s ILE 17 Cb -0.16 -1.74 0.09 0.00 0.01 0.00 0.00 42.46 40.66 3b4t s ILE 17 CO 0.03 0.32 0.03 -0.89 0.00 0.00 0.00 174.94 174.44 3b4t s THR 18 N 1.37 2.51 0.53 2.92 2.01 -0.12 -4.96 115.64 119.89 3b4t s THR 18 Ca 0.01 -2.01 -0.17 0.00 0.31 0.00 0.00 61.69 59.83 3b4t s THR 18 Cb -0.15 -2.69 -0.07 0.00 0.01 0.00 0.00 72.50 69.60 3b4t s THR 18 CO -0.10 -0.42 1.00 -0.13 -0.69 0.00 0.00 174.62 174.29 3b4t s ARG 19 N 1.03 3.81 -1.50 4.92 0.52 -1.26 -1.05 118.95 125.42 3b4t s ARG 19 Ca 0.04 1.05 -0.04 0.00 -0.52 0.00 0.00 55.73 56.26 3b4t s ARG 19 Cb -0.20 -2.11 0.00 0.00 0.52 0.00 0.00 34.95 33.16 3b4t s ARG 19 CO -0.06 -0.39 0.52 0.41 0.02 0.00 0.00 175.30 175.80 3b4t n GLY 20 N -1.29 -0.45 0.36 -3.53 0.00 0.24 -4.90 105.19 95.62 3b4t n GLY 20 Ca 0.07 0.07 -0.00 0.00 0.00 0.00 0.00 46.02 46.16 3b4t n GLY 20 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3b4t h PHE 21 N -1.18 1.03 -2.27 1.61 3.57 -1.46 -3.41 116.94 114.83 3b4t h PHE 21 Ca -0.50 0.02 -0.58 0.00 3.53 0.00 0.00 57.97 60.45 3b4t h PHE 21 Cb 1.35 -0.35 -0.14 0.00 2.79 0.00 0.00 35.95 39.60 3b4t h PHE 21 CO 0.50 0.65 -0.72 0.95 -2.23 0.00 0.00 178.31 177.46 3b4t s THR 22 N -5.93 2.19 -0.19 4.41 -4.23 -1.26 -5.08 115.64 105.56 3b4t s THR 22 Ca -0.12 -2.28 0.11 0.00 -1.18 0.00 0.00 61.69 58.23 3b4t s THR 22 Cb 0.18 -2.40 -0.19 0.00 1.34 0.00 0.00 72.50 71.43 3b4t s THR 22 CO 0.79 -0.35 -0.02 -0.62 -0.54 0.00 0.00 174.62 173.88 3b4t n GLU 23 N -0.64 0.96 -0.21 3.99 4.71 -1.26 -4.63 120.64 123.55 3b4t n GLU 23 Ca -0.05 0.04 0.01 0.00 -0.01 0.00 0.00 57.16 57.14 3b4t n GLU 23 Cb 0.62 -1.45 0.13 0.00 -1.01 0.00 0.00 31.44 29.72 3b4t n GLU 23 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 3b4t h ASN 24 N 0.00 0.19 -4.21 1.62 2.35 -1.98 -3.43 115.58 110.13 3b4t h ASN 24 Ca -0.48 0.09 -0.48 0.00 -0.55 0.00 0.00 56.30 54.88 3b4t h ASN 24 Cb 1.98 0.08 0.04 0.00 0.05 0.00 0.00 38.32 40.48 3b4t h ASN 24 CO -0.01 0.10 0.38 -2.84 -1.65 0.00 0.00 177.43 173.41 3b4t s PRO 25 N -6.08 3.60 0.28 0.81 0.02 -1.26 -4.96 135.00 127.41 3b4t s PRO 25 Ca -0.13 1.06 -0.02 0.00 0.02 0.00 0.00 61.00 61.94 3b4t s PRO 25 Cb 0.18 -2.08 0.40 0.00 0.02 0.00 0.00 34.50 33.02 3b4t s PRO 25 CO 0.75 -0.57 1.84 0.00 -0.33 0.00 0.00 177.00 178.69 3b4t h ALA 26 N 0.58 1.23 -3.43 -1.55 0.00 -1.75 -3.41 119.26 110.93 3b4t h ALA 26 Ca -0.47 -0.19 -0.51 0.00 0.00 0.00 0.00 54.91 53.75 3b4t h ALA 26 Cb 1.20 -0.23 -0.33 0.00 0.00 0.00 0.00 17.79 18.43 3b4t h ALA 26 CO 0.59 0.55 -0.81 0.20 0.00 0.00 0.00 179.25 179.78 3b4t s GLY 27 N -3.59 0.78 -0.23 0.00 0.00 -0.95 -4.14 107.32 99.18 3b4t s GLY 27 Ca -0.10 -0.40 -0.03 0.00 0.00 0.00 0.00 44.72 44.19 3b4t s GLY 27 CO 0.80 0.13 0.25 -0.45 0.00 0.00 0.00 173.10 173.83 3b4t s SER 28 N 0.66 1.41 -0.12 1.64 0.15 -1.26 0.56 113.70 116.74 3b4t s SER 28 Ca -0.14 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.18 3b4t s SER 28 Cb -0.16 0.46 0.02 0.00 -1.71 0.00 0.00 66.02 64.63 3b4t s SER 28 CO 0.04 -0.34 -0.10 -0.69 1.20 0.00 0.00 173.24 173.34 3b4t s VAL 29 N 2.35 1.19 -0.39 4.45 1.01 0.35 0.81 120.40 130.17 3b4t s VAL 29 Ca 0.08 -0.41 -0.20 0.00 0.00 0.00 0.00 61.98 61.45 3b4t s VAL 29 Cb -0.15 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.08 3b4t s VAL 29 CO -0.18 0.39 0.61 -0.22 0.00 0.00 0.00 175.10 175.70 3b4t s LEU 30 N 1.50 4.39 -0.00 3.92 2.96 -0.22 -0.28 118.68 130.95 3b4t s LEU 30 Ca 0.02 -0.11 0.03 0.00 -0.22 0.00 0.00 54.13 53.85 3b4t s LEU 30 Cb -0.13 -2.71 -0.03 0.00 0.50 0.00 0.00 46.19 43.82 3b4t s LEU 30 CO -0.07 -0.64 -0.06 -0.51 -1.32 0.00 0.00 176.35 173.74 3b4t s ILE 31 N 2.67 3.68 -0.07 6.68 2.07 -0.62 -0.95 121.20 134.67 3b4t s ILE 31 Ca 0.22 -0.74 0.00 0.00 -1.41 0.00 0.00 60.65 58.72 3b4t s ILE 31 Cb -0.15 -2.60 0.02 0.00 0.13 0.00 0.00 42.46 39.87 3b4t s ILE 31 CO 0.16 0.41 -0.06 -1.61 -1.91 0.00 0.00 174.94 171.93 3b4t s GLU 32 N -1.38 1.12 -0.58 3.50 2.02 0.07 -1.31 118.70 122.13 3b4t s GLU 32 Ca 0.17 -0.16 -0.06 0.00 0.02 0.00 0.00 54.97 54.94 3b4t s GLU 32 Cb -0.11 -1.15 0.15 0.00 0.10 0.00 0.00 34.13 33.12 3b4t s GLU 32 CO 0.07 -0.15 0.43 -0.06 0.02 0.00 0.00 175.26 175.58 3b4t s PHE 33 N 1.25 3.49 0.00 1.61 0.40 -0.28 -1.85 117.98 122.61 3b4t s PHE 33 Ca -0.05 -2.36 0.00 0.00 -0.60 0.00 0.00 56.93 53.92 3b4t s PHE 33 Cb -0.14 -3.37 0.00 0.00 0.51 0.00 0.00 43.02 40.02 3b4t s PHE 33 CO -0.02 -0.92 0.00 0.41 0.70 0.00 0.00 175.22 175.39 3b4t n GLY 34 N 4.07 3.84 0.37 4.36 0.00 -0.42 -1.67 105.19 115.75 3b4t n GLY 34 Ca 0.03 -0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.19 3b4t n GLY 34 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3b4t n HIS 35 N 13.73 0.00 -2.64 1.61 8.25 -1.26 -4.82 115.22 130.10 3b4t n HIS 35 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 3b4t n HIS 35 Cb 0.00 -0.04 -0.03 0.00 1.12 0.00 0.00 29.99 31.04 3b4t n HIS 35 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3b4t s THR 36 N -2.15 4.66 -0.11 1.59 2.01 -0.67 -4.58 115.64 116.40 3b4t s THR 36 Ca 0.35 1.94 0.02 0.00 0.31 0.00 0.00 61.69 64.31 3b4t s THR 36 Cb 0.21 -4.25 0.01 0.00 0.01 0.00 0.00 72.50 68.48 3b4t s THR 36 CO 0.39 0.01 -0.16 -0.54 -0.69 0.00 0.00 174.62 173.63 3b4t s LYS 37 N 2.02 2.25 -0.07 4.92 1.02 -0.38 -1.12 119.74 128.38 3b4t s LYS 37 Ca 0.50 -0.57 0.01 0.00 0.02 0.00 0.00 55.97 55.93 3b4t s LYS 37 Cb -0.20 -1.90 0.02 0.00 -0.52 0.00 0.00 37.83 35.23 3b4t s LYS 37 CO 0.19 -0.05 -0.07 0.08 -0.92 0.00 0.00 175.35 174.58 3b4t s VAL 38 N 0.95 0.82 -0.33 3.17 1.01 -0.43 -0.27 120.40 125.32 3b4t s VAL 38 Ca -0.07 -0.26 -0.19 0.00 0.00 0.00 0.00 61.98 61.46 3b4t s VAL 38 Cb -0.15 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 3b4t s VAL 38 CO -0.01 0.30 0.59 -0.22 0.00 0.00 0.00 175.10 175.76 3b4t s LEU 39 N 1.05 4.22 -0.28 3.92 2.96 -0.25 -1.59 118.68 128.72 3b4t s LEU 39 Ca -0.08 0.22 -0.01 0.00 -0.22 0.00 0.00 54.13 54.04 3b4t s LEU 39 Cb -0.14 -2.73 0.05 0.00 0.50 0.00 0.00 46.19 43.86 3b4t s LEU 39 CO -0.00 -0.50 -0.04 0.00 -1.32 0.00 0.00 176.35 174.49 3b4t s THR 41 N 1.24 3.14 -0.25 0.00 -4.23 -0.02 -0.49 115.64 115.04 3b4t s THR 41 Ca -0.04 -1.89 -0.01 0.00 -1.18 0.00 0.00 61.69 58.57 3b4t s THR 41 Cb -0.19 -2.62 0.07 0.00 1.34 0.00 0.00 72.50 71.10 3b4t s THR 41 CO -0.03 -0.26 0.03 0.00 -0.54 0.00 0.00 174.62 173.82 3b4t s ALA 42 N -2.07 1.52 -0.13 3.99 0.00 0.19 -1.43 121.76 123.84 3b4t s ALA 42 Ca 0.28 -1.26 -0.07 0.00 0.00 0.00 0.00 51.96 50.92 3b4t s ALA 42 Cb -0.07 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.59 3b4t s ALA 42 CO 0.17 -1.35 0.12 -1.12 0.00 0.00 0.00 175.76 173.58 3b4t s SER 43 N 1.61 6.21 0.40 0.00 0.01 -0.23 -2.25 113.70 119.45 3b4t s SER 43 Ca 0.01 0.39 0.01 0.00 1.31 0.00 0.00 55.95 57.67 3b4t s SER 43 Cb -0.18 -2.00 -0.01 0.00 0.21 0.00 0.00 66.02 64.04 3b4t s SER 43 CO -0.13 0.37 0.60 -0.69 0.41 0.00 0.00 173.24 173.81 3b4t s VAL 44 N -0.79 4.42 0.24 3.43 1.01 -1.26 -0.27 120.40 127.19 3b4t s VAL 44 Ca 0.13 -0.54 -0.13 0.00 0.00 0.00 0.00 61.98 61.45 3b4t s VAL 44 Cb -0.12 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.64 3b4t s VAL 44 CO 0.03 -0.40 0.47 0.28 0.00 0.00 0.00 175.10 175.48 3b4t s THR 45 N -2.42 0.00 -1.15 3.92 -1.32 -0.98 -4.92 115.64 108.77 3b4t s THR 45 Ca 0.45 -1.39 -0.03 0.00 -1.21 0.00 0.00 61.69 59.50 3b4t s THR 45 Cb -0.10 -2.18 0.24 0.00 -1.51 0.00 0.00 72.50 68.95 3b4t s THR 45 CO 0.36 -0.01 2.03 -0.62 -2.21 0.00 0.00 174.62 174.17 3b4t n GLU 46 N -0.38 5.04 -0.45 7.08 1.02 -1.26 -3.72 120.64 127.97 3b4t n GLU 46 Ca -0.02 -4.17 0.00 0.00 -0.02 0.00 0.00 57.16 52.95 3b4t n GLU 46 Cb 0.62 -2.55 0.00 0.00 -0.02 0.00 0.00 31.44 29.49 3b4t n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3b4t n GLY 47 N 0.76 0.56 1.27 0.62 0.00 -1.13 -4.98 105.19 102.29 3b4t n GLY 47 Ca 0.52 -1.57 -0.07 0.00 0.00 0.00 0.00 46.02 44.91 3b4t n GLY 47 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3b4t n VAL 48 N 9.00 0.00 1.07 1.61 0.24 -1.25 0.11 118.33 129.10 3b4t n VAL 48 Ca 0.00 -0.80 0.13 0.00 -2.04 0.00 0.00 64.34 61.63 3b4t n VAL 48 Cb 0.00 0.44 0.45 0.00 -1.47 0.00 0.00 33.84 33.26 3b4t n VAL 48 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 3b4t n PRO 49 N -0.23 0.13 -1.81 7.34 -0.02 -1.26 -5.03 135.00 134.12 3b4t n PRO 49 Ca 0.02 -0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 3b4t n PRO 49 Cb 0.23 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 3b4t n PRO 49 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3b4t n LEU 57 N -1.39 -3.12 0.00 2.45 4.32 -1.26 -5.17 117.00 112.83 3b4t n LEU 57 Ca 0.08 2.20 -0.11 0.00 -0.02 0.00 0.00 56.01 58.15 3b4t n LEU 57 Cb 0.33 -2.37 0.06 0.00 -1.62 0.00 0.00 43.42 39.82 3b4t n LEU 57 CO 0.30 -1.07 0.29 0.61 -1.22 0.00 0.00 177.39 176.30 3b4t n GLY 58 N 1.61 0.45 3.09 -0.72 0.00 0.13 -4.71 105.19 105.05 3b4t n GLY 58 Ca 0.00 -1.95 -0.10 0.00 0.00 0.00 0.00 46.02 43.97 3b4t n GLY 58 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3b4t s TRP 59 N -1.49 0.19 -0.05 1.61 -0.11 -0.58 -4.78 118.94 113.73 3b4t s TRP 59 Ca 0.32 -0.44 0.01 0.00 1.22 0.00 0.00 56.10 57.21 3b4t s TRP 59 Cb -0.02 -0.14 0.02 0.00 -1.50 0.00 0.00 33.47 31.83 3b4t s TRP 59 CO 0.22 -0.32 -0.07 -1.17 -4.62 0.00 0.00 176.95 170.99 3b4t s LEU 60 N -1.87 1.42 0.13 5.86 0.20 -1.26 -1.04 118.68 122.12 3b4t s LEU 60 Ca -0.09 -0.19 0.07 0.00 0.69 0.00 0.00 54.13 54.62 3b4t s LEU 60 Cb -0.04 -0.58 -0.04 0.00 -0.43 0.00 0.00 46.19 45.10 3b4t s LEU 60 CO -0.03 -0.03 -0.17 0.28 -0.29 0.00 0.00 176.35 176.11 3b4t s THR 61 N 0.86 1.58 0.00 3.68 -1.32 -0.92 -4.96 115.64 114.55 3b4t s THR 61 Ca -0.12 -1.70 0.02 0.00 -1.21 0.00 0.00 61.69 58.68 3b4t s THR 61 Cb -0.15 -1.60 -0.01 0.00 -1.51 0.00 0.00 72.50 69.24 3b4t s THR 61 CO 0.01 -0.27 -0.06 0.00 -2.21 0.00 0.00 174.62 172.09 3b4t s ALA 62 N -1.75 0.50 -0.04 11.08 0.00 -1.26 0.71 121.76 131.00 3b4t s ALA 62 Ca 0.09 -0.31 0.02 0.00 0.00 0.00 0.00 51.96 51.76 3b4t s ALA 62 Cb -0.07 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 22.96 3b4t s ALA 62 CO 0.04 0.11 -0.07 -1.21 0.00 0.00 0.00 175.76 174.63 3b4t s GLU 63 N -0.30 1.03 -0.04 0.00 2.02 0.10 -4.64 118.70 116.87 3b4t s GLU 63 Ca 0.01 -0.22 0.05 0.00 0.02 0.00 0.00 54.97 54.83 3b4t s GLU 63 Cb -0.03 -0.95 -0.02 0.00 0.10 0.00 0.00 34.13 33.23 3b4t s GLU 63 CO -0.00 -0.00 -0.18 -0.47 0.02 0.00 0.00 175.26 174.63 3b4t s TYR 64 N 0.65 2.60 0.07 1.61 5.04 -1.26 -0.13 117.35 125.93 3b4t s TYR 64 Ca -0.10 -0.24 -0.19 0.00 -2.44 0.00 0.00 57.07 54.10 3b4t s TYR 64 Cb -0.13 -1.59 0.04 0.00 0.35 0.00 0.00 41.96 40.63 3b4t s TYR 64 CO 0.01 0.12 0.45 0.00 -1.34 0.00 0.00 175.55 174.79 3b4t s ALA 65 N -0.69 -1.10 -0.13 3.97 0.00 -0.11 -4.83 121.76 118.87 3b4t s ALA 65 Ca 0.11 0.30 0.01 0.00 0.00 0.00 0.00 51.96 52.38 3b4t s ALA 65 Cb -0.10 0.48 -0.01 0.00 0.00 0.00 0.00 23.12 23.49 3b4t s ALA 65 CO 0.00 -0.53 -0.17 -1.64 0.00 0.00 0.00 175.76 173.41 3b4t s MET 66 N -2.89 3.22 0.54 0.00 1.00 -1.26 -0.77 119.30 119.14 3b4t s MET 66 Ca -0.03 -0.77 -0.22 0.00 0.00 0.00 0.00 55.69 54.68 3b4t s MET 66 Cb -0.00 -2.52 -0.06 0.00 0.00 0.00 0.00 34.83 32.26 3b4t s MET 66 CO -0.05 0.14 1.26 1.28 0.00 0.00 0.00 175.02 177.65 3b4t n LEU 67 N 3.68 4.89 -0.31 -0.03 4.77 -0.97 -4.88 117.00 124.15 3b4t n LEU 67 Ca -0.19 0.96 0.11 0.00 -0.03 0.00 0.00 56.01 56.87 3b4t n LEU 67 Cb 0.52 -1.52 0.28 0.00 -2.33 0.00 0.00 43.42 40.38 3b4t n LEU 67 CO 0.29 -0.88 1.08 -0.65 -1.33 0.00 0.00 177.39 175.90 3b4t h PRO 68 N 1.31 0.49 -0.10 3.23 0.11 -1.91 -1.03 132.00 134.11 3b4t h PRO 68 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3b4t h PRO 68 Cb 1.32 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3b4t h PRO 68 CO 0.56 0.33 0.00 -1.13 -0.21 0.00 0.00 178.00 177.55 3b4t n SER 69 N -4.96 1.24 -0.03 -2.05 3.41 -1.26 -0.44 113.62 109.53 3b4t n SER 69 Ca 0.21 -1.57 0.00 0.00 -0.26 0.00 0.00 58.87 57.25 3b4t n SER 69 Cb 0.57 -0.06 0.31 0.00 -0.26 0.00 0.00 64.21 64.77 3b4t n SER 69 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3b4t h ALA 70 N 4.03 1.42 -2.26 7.33 0.00 -1.35 -3.44 119.26 125.00 3b4t h ALA 70 Ca 0.00 -0.16 -0.48 0.00 0.00 0.00 0.00 54.91 54.27 3b4t h ALA 70 Cb 0.38 -0.17 0.04 0.00 0.00 0.00 0.00 17.79 18.03 3b4t h ALA 70 CO 0.00 0.42 0.07 0.95 0.00 0.00 0.00 179.25 180.69 3b4t s THR 71 N -5.15 4.47 0.21 0.00 -4.23 -1.26 -0.74 115.64 108.94 3b4t s THR 71 Ca -0.08 -0.01 -0.11 0.00 -1.18 0.00 0.00 61.69 60.31 3b4t s THR 71 Cb 0.16 -3.70 0.17 0.00 1.34 0.00 0.00 72.50 70.47 3b4t s THR 71 CO 0.76 -0.65 1.68 0.45 -0.54 0.00 0.00 174.62 176.32 3b4t h HIS 72 N 0.19 0.05 -3.34 3.99 3.86 -1.85 -3.36 115.15 114.70 3b4t h HIS 72 Ca -0.47 0.04 -0.65 0.00 -1.16 0.00 0.00 60.37 58.13 3b4t h HIS 72 Cb 1.23 0.07 -0.25 0.00 1.06 0.00 0.00 27.41 29.51 3b4t h HIS 72 CO 0.53 -0.11 -0.72 0.45 0.86 0.00 0.00 177.93 178.94 3b4t s SER 73 N -5.26 4.35 0.13 2.45 0.15 -1.26 -5.07 113.70 109.20 3b4t s SER 73 Ca -0.13 -0.28 -0.34 0.00 0.70 0.00 0.00 55.95 55.90 3b4t s SER 73 Cb 0.18 -1.70 -0.17 0.00 -1.71 0.00 0.00 66.02 62.62 3b4t s SER 73 CO 0.74 0.12 1.10 -1.14 1.20 0.00 0.00 173.24 175.26 3b4t n ARG 74 N 3.85 0.82 -3.93 5.44 0.63 -1.26 -4.96 116.66 117.25 3b4t n ARG 74 Ca -0.18 0.29 -0.30 0.00 -0.92 0.00 0.00 57.85 56.75 3b4t n ARG 74 Cb 0.52 -1.76 -0.04 0.00 0.45 0.00 0.00 32.46 31.63 3b4t n ARG 74 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 3b4t s SER 75 N -0.04 6.30 0.31 6.15 1.04 0.41 -5.00 113.70 122.87 3b4t s SER 75 Ca 0.77 0.23 -0.29 0.00 0.48 0.00 0.00 55.95 57.14 3b4t s SER 75 Cb -0.95 -1.92 -0.10 0.00 0.10 0.00 0.00 66.02 63.15 3b4t s SER 75 CO 0.53 0.14 1.37 -1.81 0.98 0.00 0.00 173.24 174.45 3b4t s ASP 76 N -2.67 6.68 0.19 7.02 1.01 -1.26 -4.43 116.67 123.22 3b4t s ASP 76 Ca 0.35 2.72 -0.31 0.00 0.71 0.00 0.00 52.55 56.02 3b4t s ASP 76 Cb -0.12 -2.64 -0.09 0.00 1.01 0.00 0.00 42.92 41.07 3b4t s ASP 76 CO 0.28 -0.63 1.42 -0.60 0.21 0.00 0.00 175.17 175.84 3b4t s ARG 77 N -1.30 4.30 0.25 8.23 3.52 -1.26 -4.92 118.95 127.76 3b4t s ARG 77 Ca 0.53 2.20 0.00 0.00 -0.13 0.00 0.00 55.73 58.34 3b4t s ARG 77 Cb -0.41 -3.17 0.30 0.00 -1.56 0.00 0.00 34.95 30.11 3b4t s ARG 77 CO 0.50 -0.41 1.65 0.93 -0.81 0.00 0.00 175.30 177.16 3b4t h GLU 78 N 5.78 0.52 -0.20 5.12 5.08 -1.93 -1.38 114.58 127.58 3b4t h GLU 78 Ca -0.44 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 57.65 3b4t h GLU 78 Cb 1.21 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 3b4t h GLU 78 CO 0.82 0.79 -0.01 0.66 -1.00 0.00 0.00 179.01 180.27 3b4t h SER 79 N 0.44 0.27 0.03 1.42 4.64 -1.91 0.68 113.55 119.12 3b4t h SER 79 Ca 0.05 -0.04 -0.15 0.00 -0.47 0.00 0.00 61.79 61.18 3b4t h SER 79 Cb 0.80 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.84 3b4t h SER 79 CO 0.07 0.33 -0.61 0.58 -0.87 0.00 0.00 176.83 176.32 3b4t h VAL 80 N 0.29 1.46 -0.62 0.95 2.07 -1.83 -3.19 116.25 115.37 3b4t h VAL 80 Ca 0.07 -2.17 0.03 0.00 0.82 0.00 0.00 66.70 65.45 3b4t h VAL 80 Cb 0.22 2.75 -0.03 0.00 -1.52 0.00 0.00 31.29 32.71 3b4t h VAL 80 CO 0.01 0.62 0.41 0.03 0.02 0.00 0.00 177.57 178.66 3b4t h ARG 81 N -0.20 0.72 0.00 1.57 3.08 -1.03 -3.46 114.38 115.04 3b4t h ARG 81 Ca -0.09 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.92 3b4t h ARG 81 Cb 1.36 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3b4t h ARG 81 CO 0.12 0.47 0.00 0.41 -1.07 0.00 0.00 179.97 179.90 3b4t n GLY 82 N -1.45 0.92 3.55 0.04 0.00 0.20 -5.07 105.19 103.38 3b4t n GLY 82 Ca 0.07 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 3b4t n GLY 82 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3b4t s ARG 83 N -0.67 0.92 0.30 1.61 1.70 -1.02 -5.02 118.95 116.77 3b4t s ARG 83 Ca 0.00 0.33 -0.28 0.00 -0.47 0.00 0.00 55.73 55.31 3b4t s ARG 83 Cb 0.00 0.43 -0.09 0.00 -0.57 0.00 0.00 34.95 34.72 3b4t s ARG 83 CO 0.00 -0.26 1.07 -0.51 -1.08 0.00 0.00 175.30 174.52 3b4t s LEU 84 N -0.94 4.47 0.71 -1.89 1.02 -1.26 -4.74 118.68 116.06 3b4t s LEU 84 Ca -0.07 2.19 -0.11 0.00 0.02 0.00 0.00 54.13 56.16 3b4t s LEU 84 Cb -0.01 -3.74 0.02 0.00 0.02 0.00 0.00 46.19 42.48 3b4t s LEU 84 CO 0.07 -0.19 1.07 -0.94 0.02 0.00 0.00 176.35 176.37 3b4t s SER 85 N -1.05 5.15 0.19 2.29 1.04 -1.26 -4.95 113.70 115.11 3b4t s SER 85 Ca 0.47 1.69 -0.10 0.00 0.48 0.00 0.00 55.95 58.49 3b4t s SER 85 Cb -0.29 -2.50 0.11 0.00 0.10 0.00 0.00 66.02 63.43 3b4t s SER 85 CO 0.37 -1.60 1.74 1.23 0.98 0.00 0.00 173.24 175.97 3b4t h GLY 86 N -0.77 1.11 0.33 7.32 0.00 -2.00 -2.75 103.07 106.32 3b4t h GLY 86 Ca -0.44 -0.62 0.07 0.00 0.00 0.00 0.00 47.33 46.34 3b4t h GLY 86 CO 0.55 0.58 -0.05 -0.09 0.00 0.00 0.00 176.54 177.54 3b4t h ARG 87 N 0.97 0.04 -0.38 4.80 2.43 -1.99 0.86 114.38 121.12 3b4t h ARG 87 Ca 0.22 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.44 3b4t h ARG 87 Cb 0.24 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 3b4t h ARG 87 CO -0.01 0.03 0.13 1.15 -1.51 0.00 0.00 179.97 179.75 3b4t h THR 88 N 0.04 0.88 -0.40 0.20 2.02 -1.85 -1.11 112.91 112.69 3b4t h THR 88 Ca 0.18 -0.10 -0.14 0.00 0.77 0.00 0.00 66.41 67.12 3b4t h THR 88 Cb 0.26 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 3b4t h THR 88 CO -0.34 0.05 -0.31 1.56 0.37 0.00 0.00 175.52 176.85 3b4t h GLN 89 N 0.28 0.90 -0.22 6.66 4.20 -1.18 -0.47 115.11 125.28 3b4t h GLN 89 Ca 0.17 -0.43 0.05 0.00 0.06 0.00 0.00 58.65 58.50 3b4t h GLN 89 Cb 0.15 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 3b4t h GLN 89 CO -0.18 1.08 -0.07 1.49 -0.67 0.00 0.00 178.83 180.48 3b4t h GLU 90 N 0.75 -0.03 -0.21 1.46 4.81 -0.47 -1.80 114.58 119.10 3b4t h GLU 90 Ca 0.08 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.13 3b4t h GLU 90 Cb 0.88 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.27 3b4t h GLU 90 CO 0.08 -0.02 -0.59 0.82 -0.73 0.00 0.00 179.01 178.57 3b4t h ILE 91 N -0.03 1.29 -0.37 2.32 2.04 -1.12 -2.56 117.51 119.09 3b4t h ILE 91 Ca 0.11 -1.80 0.06 0.00 1.00 0.00 0.00 64.86 64.23 3b4t h ILE 91 Cb 0.19 1.85 -0.06 0.00 -0.74 0.00 0.00 36.82 38.07 3b4t h ILE 91 CO -0.24 0.57 0.01 0.28 0.00 0.00 0.00 178.15 178.77 3b4t h SER 92 N 0.50 -0.13 -0.53 1.72 0.02 -0.98 -0.41 113.55 113.73 3b4t h SER 92 Ca -0.02 0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 3b4t h SER 92 Cb 1.21 0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.87 3b4t h SER 92 CO 0.13 -0.03 0.20 0.03 -1.14 0.00 0.00 176.83 176.02 3b4t h ARG 93 N 0.11 0.80 -0.42 3.45 3.08 -1.33 -2.36 114.38 117.71 3b4t h ARG 93 Ca 0.18 -0.15 0.03 0.00 0.07 0.00 0.00 59.98 60.11 3b4t h ARG 93 Cb 0.24 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 3b4t h ARG 93 CO -0.29 0.71 0.22 1.25 -1.07 0.00 0.00 179.97 180.79 3b4t h LEU 94 N 0.72 0.34 -0.51 3.04 5.85 -1.01 -1.57 115.31 122.16 3b4t h LEU 94 Ca 0.18 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 3b4t h LEU 94 Cb 0.22 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 3b4t h LEU 94 CO -0.01 0.24 0.26 0.40 -0.34 0.00 0.00 178.44 178.99 3b4t h ILE 95 N 0.45 1.19 -0.45 4.05 2.04 -0.87 -0.58 117.51 123.34 3b4t h ILE 95 Ca 0.18 -0.52 -0.11 0.00 1.00 0.00 0.00 64.86 65.41 3b4t h ILE 95 Cb 0.06 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 3b4t h ILE 95 CO -0.11 0.21 -0.14 1.23 0.00 0.00 0.00 178.15 179.34 3b4t h GLY 96 N 0.68 0.92 1.15 5.37 0.00 -1.28 -2.30 103.07 107.60 3b4t h GLY 96 Ca 0.18 -0.73 -0.14 0.00 0.00 0.00 0.00 47.33 46.64 3b4t h GLY 96 CO -0.02 0.67 -0.25 -0.09 0.00 0.00 0.00 176.54 176.85 3b4t h ARG 97 N 0.76 0.97 0.00 4.80 2.43 -1.05 -2.31 114.38 119.98 3b4t h ARG 97 Ca 0.12 -0.43 -0.00 0.00 -0.81 0.00 0.00 59.98 58.86 3b4t h ARG 97 Cb 0.65 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 3b4t h ARG 97 CO 0.05 1.09 -0.00 0.77 -1.51 0.00 0.00 179.97 180.37 3b4t h SER 98 N 0.83 -0.00 -0.17 -3.80 0.02 -0.95 -2.64 113.55 106.83 3b4t h SER 98 Ca 0.10 -0.17 -0.09 0.00 -0.84 0.00 0.00 61.79 60.79 3b4t h SER 98 Cb 0.82 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 3b4t h SER 98 CO 0.07 0.17 -0.19 -0.07 -1.14 0.00 0.00 176.83 175.66 3b4t h LEU 99 N -0.17 0.59 -1.83 5.07 3.38 -1.44 -2.24 115.31 118.66 3b4t h LEU 99 Ca -0.00 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 3b4t h LEU 99 Cb 0.17 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3b4t h LEU 99 CO 0.00 0.79 -0.14 0.03 0.09 0.00 0.00 178.44 179.21 3b4t h ARG 100 N 0.53 0.00 0.00 1.13 3.08 -1.38 -2.79 114.38 114.96 3b4t h ARG 100 Ca 0.08 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 3b4t h ARG 100 Cb 0.63 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.68 3b4t h ARG 100 CO 0.04 0.14 -0.09 0.00 -1.07 0.00 0.00 179.97 179.00 3b4t h ALA 101 N 1.86 1.19 -0.07 0.04 0.00 -1.02 -3.08 119.26 118.17 3b4t h ALA 101 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3b4t h ALA 101 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3b4t h ALA 101 CO 0.02 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.38 3b4t s ILE 103 N -2.65 0.26 -0.73 0.00 2.07 -1.16 -1.24 121.20 117.76 3b4t s ILE 103 Ca 0.31 0.01 -0.26 0.00 -1.41 0.00 0.00 60.65 59.30 3b4t s ILE 103 Cb 0.27 -0.33 0.04 0.00 0.13 0.00 0.00 42.46 42.57 3b4t s ILE 103 CO 0.04 0.15 1.23 -0.62 -1.91 0.00 0.00 174.94 173.84 3b4t s ASP 104 N 0.85 6.16 0.54 4.50 -1.08 0.06 -4.87 116.67 122.83 3b4t s ASP 104 Ca -0.09 -0.52 0.25 0.00 -0.52 0.00 0.00 52.55 51.66 3b4t s ASP 104 Cb -0.12 -2.54 1.51 0.00 -1.46 0.00 0.00 42.92 40.31 3b4t s ASP 104 CO -0.01 -1.78 2.15 -0.07 0.52 0.00 0.00 175.17 175.98 3b4t h LEU 105 N 12.78 0.00 -0.28 -1.34 3.38 -1.88 0.17 115.31 128.15 3b4t h LEU 105 Ca -0.28 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.50 3b4t h LEU 105 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3b4t h LEU 105 CO 1.26 0.06 -0.57 0.00 0.09 0.00 0.00 178.44 179.28 3b4t h ALA 106 N 1.94 0.44 -0.52 1.53 0.00 -1.89 0.37 119.26 121.14 3b4t h ALA 106 Ca -0.00 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 3b4t h ALA 106 Cb 0.14 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3b4t h ALA 106 CO 0.01 0.68 0.20 0.00 0.00 0.00 0.00 179.25 180.14 3b4t h ALA 107 N 0.66 1.39 -2.16 0.00 0.00 -1.23 -3.43 119.26 114.50 3b4t h ALA 107 Ca 0.01 -0.14 -0.43 0.00 0.00 0.00 0.00 54.91 54.34 3b4t h ALA 107 Cb 1.19 -0.21 0.21 0.00 0.00 0.00 0.00 17.79 18.98 3b4t h ALA 107 CO 0.13 0.46 0.01 -1.17 0.00 0.00 0.00 179.25 178.68 3b4t s LEU 108 N -9.41 0.77 0.00 0.00 2.96 0.36 -1.44 118.68 111.92 3b4t s LEU 108 Ca -0.09 1.45 0.00 0.00 -0.22 0.00 0.00 54.13 55.27 3b4t s LEU 108 Cb 0.16 -3.35 0.00 0.00 0.50 0.00 0.00 46.19 43.50 3b4t s LEU 108 CO 0.78 -4.20 0.00 0.61 -1.32 0.00 0.00 176.35 172.21 3b4t n GLY 109 N 0.67 -1.64 1.58 7.98 0.00 -1.26 -4.37 105.19 108.14 3b4t n GLY 109 Ca 0.03 -1.58 -0.02 0.00 0.00 0.00 0.00 46.02 44.45 3b4t n GLY 109 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3b4t n GLU 110 N -1.15 1.15 -4.47 1.61 0.28 -1.26 -2.71 120.64 114.09 3b4t n GLU 110 Ca 0.00 -0.18 -0.23 0.00 -0.16 0.00 0.00 57.16 56.59 3b4t n GLU 110 Cb 0.00 -1.15 -0.10 0.00 1.43 0.00 0.00 31.44 31.62 3b4t n GLU 110 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 3b4t s ASN 111 N 1.94 3.13 0.10 -1.84 0.02 -1.25 -2.86 114.94 114.17 3b4t s ASN 111 Ca 0.09 -1.20 0.07 0.00 -1.02 0.00 0.00 52.86 50.81 3b4t s ASN 111 Cb 0.05 -0.24 -0.04 0.00 0.02 0.00 0.00 41.25 41.04 3b4t s ASN 111 CO -0.00 -0.29 -0.10 -0.89 0.02 0.00 0.00 177.10 175.84 3b4t s THR 112 N -2.86 3.37 -0.28 1.60 2.01 0.30 -1.52 115.64 118.25 3b4t s THR 112 Ca 0.31 -1.24 0.03 0.00 0.31 0.00 0.00 61.69 61.10 3b4t s THR 112 Cb 0.03 -2.57 0.07 0.00 0.01 0.00 0.00 72.50 70.05 3b4t s THR 112 CO 0.14 0.13 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.51 3b4t s ILE 113 N -1.20 2.18 -0.39 1.82 1.01 -0.21 -2.32 121.20 122.09 3b4t s ILE 113 Ca 0.21 -1.84 -0.24 0.00 0.00 0.00 0.00 60.65 58.78 3b4t s ILE 113 Cb -0.11 -2.38 0.01 0.00 0.01 0.00 0.00 42.46 39.99 3b4t s ILE 113 CO 0.13 -0.21 0.84 0.00 0.00 0.00 0.00 174.94 175.70 3b4t s ALA 114 N 1.05 3.38 -0.17 9.38 0.00 0.63 -2.18 121.76 133.86 3b4t s ALA 114 Ca -0.03 -0.67 -0.19 0.00 0.00 0.00 0.00 51.96 51.08 3b4t s ALA 114 Cb -0.20 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.44 3b4t s ALA 114 CO -0.06 -1.64 0.52 0.42 0.00 0.00 0.00 175.76 175.00 3b4t s ILE 115 N 3.30 5.12 -0.15 0.00 -1.09 0.22 -1.07 121.20 127.53 3b4t s ILE 115 Ca 0.33 1.00 0.01 0.00 -2.23 0.00 0.00 60.65 59.76 3b4t s ILE 115 Cb -0.12 -3.85 0.02 0.00 -1.58 0.00 0.00 42.46 36.92 3b4t s ILE 115 CO 0.19 0.22 -0.18 -1.81 -1.23 0.00 0.00 174.94 172.13 3b4t s ASP 116 N 0.98 2.90 -0.28 3.58 1.01 -0.51 0.01 116.67 124.36 3b4t s ASP 116 Ca 0.26 -0.56 0.03 0.00 0.71 0.00 0.00 52.55 52.98 3b4t s ASP 116 Cb -0.15 -1.33 0.07 0.00 1.01 0.00 0.00 42.92 42.51 3b4t s ASP 116 CO 0.10 0.01 -0.07 0.00 0.21 0.00 0.00 175.17 175.42 3b4t s ASP 118 N 1.09 3.81 -0.35 0.00 1.11 -0.46 -0.94 116.67 120.92 3b4t s ASP 118 Ca -0.05 -0.67 -0.29 0.00 0.18 0.00 0.00 52.55 51.72 3b4t s ASP 118 Cb -0.20 -1.60 0.02 0.00 1.07 0.00 0.00 42.92 42.21 3b4t s ASP 118 CO -0.05 -0.05 1.11 -0.69 1.18 0.00 0.00 175.17 176.67 3b4t s VAL 119 N 1.34 4.41 0.07 -1.27 1.01 0.05 -1.09 120.40 124.93 3b4t s VAL 119 Ca 0.03 1.58 -0.02 0.00 0.00 0.00 0.00 61.98 63.57 3b4t s VAL 119 Cb -0.15 -4.43 -0.27 0.00 0.00 0.00 0.00 36.38 31.53 3b4t s VAL 119 CO -0.08 -0.59 1.12 -0.07 0.00 0.00 0.00 175.10 175.48 3b4t h LEU 120 N 10.41 0.36 -7.37 3.92 3.38 -0.98 -2.58 115.31 122.45 3b4t h LEU 120 Ca -0.22 -0.39 -0.19 0.00 0.09 0.00 0.00 57.88 57.17 3b4t h LEU 120 Cb 1.06 -0.12 -0.29 0.00 0.09 0.00 0.00 40.66 41.41 3b4t h LEU 120 CO 1.05 1.31 -0.47 -1.58 0.09 0.00 0.00 178.44 178.84 3b4t s GLN 121 N -2.66 0.22 -0.29 1.13 0.74 -0.89 -4.20 119.66 113.71 3b4t s GLN 121 Ca -0.04 0.50 -0.06 0.00 0.05 0.00 0.00 55.36 55.81 3b4t s GLN 121 Cb 0.07 -0.07 0.02 0.00 1.10 0.00 0.00 33.01 34.13 3b4t s GLN 121 CO 0.87 -0.14 0.05 0.00 -0.55 0.00 0.00 175.29 175.52 3b4t s ALA 122 N 1.06 2.98 -0.27 1.58 0.00 0.08 -1.25 121.76 125.94 3b4t s ALA 122 Ca -0.08 -1.49 0.17 0.00 0.00 0.00 0.00 51.96 50.56 3b4t s ALA 122 Cb -0.09 -2.06 0.49 0.00 0.00 0.00 0.00 23.12 21.46 3b4t s ALA 122 CO -0.07 -0.95 1.14 -3.47 0.00 0.00 0.00 175.76 172.40 3b4t n ASP 123 N 4.81 2.80 0.00 0.00 2.03 -1.26 -4.67 116.55 120.26 3b4t n ASP 123 Ca -0.15 -2.66 0.00 0.00 0.52 0.00 0.00 54.79 52.50 3b4t n ASP 123 Cb 0.47 -0.43 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 3b4t n ASP 123 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3b4t n GLY 124 N -0.63 -0.81 2.48 0.27 0.00 -1.26 -1.67 105.19 103.57 3b4t n GLY 124 Ca 0.21 -1.46 -0.17 0.00 0.00 0.00 0.00 46.02 44.60 3b4t n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b4t n GLY 125 N -0.06 -0.30 0.22 -0.02 0.00 -1.23 -4.77 105.19 99.03 3b4t n GLY 125 Ca 0.00 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 3b4t n GLY 125 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3b4t h THR 126 N -0.42 1.27 -0.12 2.61 1.35 -1.93 -1.59 112.91 114.08 3b4t h THR 126 Ca -0.40 -1.14 -0.16 0.00 -0.55 0.00 0.00 66.41 64.16 3b4t h THR 126 Cb 1.29 1.22 -0.01 0.00 -1.73 0.00 0.00 68.15 68.92 3b4t h THR 126 CO 0.46 0.38 -0.61 0.08 -0.25 0.00 0.00 175.52 175.58 3b4t h ARG 127 N 0.54 0.41 -0.12 4.72 -0.00 -1.98 0.40 114.38 118.35 3b4t h ARG 127 Ca 0.10 -0.28 -0.16 0.00 -0.00 0.00 0.00 59.98 59.65 3b4t h ARG 127 Cb 0.58 0.04 -0.01 0.00 -0.00 0.00 0.00 29.97 30.58 3b4t h ARG 127 CO 0.03 0.89 -0.59 1.79 -0.00 0.00 0.00 179.97 182.09 3b4t h THR 128 N 0.30 1.35 -0.33 0.08 1.35 -1.87 -1.53 112.91 112.27 3b4t h THR 128 Ca -0.01 -1.91 -0.05 0.00 -0.55 0.00 0.00 66.41 63.89 3b4t h THR 128 Cb 1.14 1.91 -0.01 0.00 -1.73 0.00 0.00 68.15 69.46 3b4t h THR 128 CO 0.10 0.58 0.01 0.00 -0.25 0.00 0.00 175.52 175.96 3b4t h ALA 129 N 1.07 0.45 -0.29 6.62 0.00 -1.04 -1.87 119.26 124.19 3b4t h ALA 129 Ca -0.00 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.72 3b4t h ALA 129 Cb 1.12 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 3b4t h ALA 129 CO 0.10 0.19 0.04 0.00 0.00 0.00 0.00 179.25 179.58 3b4t h ALA 130 N 0.86 0.29 -0.15 0.00 0.00 -0.01 0.56 119.26 120.81 3b4t h ALA 130 Ca 0.10 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3b4t h ALA 130 Cb 0.43 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3b4t h ALA 130 CO 0.01 -0.38 0.07 0.82 0.00 0.00 0.00 179.25 179.78 3b4t h ILE 131 N 0.13 1.12 -0.88 0.00 2.04 -1.27 0.30 117.51 118.95 3b4t h ILE 131 Ca 0.14 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.67 3b4t h ILE 131 Cb 0.16 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 3b4t h ILE 131 CO -0.20 0.11 0.57 0.74 0.00 0.00 0.00 178.15 179.37 3b4t h THR 132 N 0.12 1.23 0.02 -0.27 2.02 -0.93 -2.30 112.91 112.80 3b4t h THR 132 Ca 0.05 -0.43 -0.26 0.00 0.77 0.00 0.00 66.41 66.54 3b4t h THR 132 Cb 0.11 -0.05 0.02 0.00 -1.74 0.00 0.00 68.15 66.48 3b4t h THR 132 CO -0.01 0.22 -1.05 1.23 0.37 0.00 0.00 175.52 176.29 3b4t h GLY 133 N 1.19 0.64 1.51 2.16 0.00 -0.74 -3.30 103.07 104.52 3b4t h GLY 133 Ca 0.32 -1.16 0.02 0.00 0.00 0.00 0.00 47.33 46.51 3b4t h GLY 133 CO -0.07 1.03 0.29 0.00 0.00 0.00 0.00 176.54 177.78 3b4t h ALA 134 N 0.52 1.78 -0.30 3.60 0.00 0.10 -2.01 119.26 122.95 3b4t h ALA 134 Ca -0.12 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 3b4t h ALA 134 Cb 1.70 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 3b4t h ALA 134 CO 0.19 0.18 -0.03 -0.92 0.00 0.00 0.00 179.25 178.67 3b4t h TYR 135 N 0.50 0.60 -0.73 0.00 3.20 -1.51 0.92 116.97 119.95 3b4t h TYR 135 Ca 0.17 -0.12 0.05 0.00 3.14 0.00 0.00 58.73 61.97 3b4t h TYR 135 Cb 0.06 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.12 3b4t h TYR 135 CO -0.00 0.71 0.44 0.28 -1.64 0.00 0.00 178.16 177.95 3b4t h VAL 136 N 0.33 1.05 -0.27 1.81 2.07 -1.51 0.21 116.25 119.94 3b4t h VAL 136 Ca 0.08 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3b4t h VAL 136 Cb 0.49 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3b4t h VAL 136 CO 0.02 0.15 0.17 0.00 0.02 0.00 0.00 177.57 177.94 3b4t h ALA 137 N 1.34 0.34 -0.70 1.67 0.00 -1.15 -1.48 119.26 119.28 3b4t h ALA 137 Ca 0.31 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.27 3b4t h ALA 137 Cb 0.10 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 3b4t h ALA 137 CO -0.14 -0.17 0.37 1.25 0.00 0.00 0.00 179.25 180.55 3b4t h LEU 138 N 0.35 0.50 0.09 0.00 5.85 0.04 0.54 115.31 122.69 3b4t h LEU 138 Ca 0.10 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.88 3b4t h LEU 138 Cb -0.02 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 3b4t h LEU 138 CO -0.02 0.30 -0.17 0.00 -0.34 0.00 0.00 178.44 178.21 3b4t h ALA 139 N 1.41 -0.28 -0.58 1.25 0.00 -0.13 0.12 119.26 121.05 3b4t h ALA 139 Ca 0.34 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.25 3b4t h ALA 139 Cb 0.31 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3b4t h ALA 139 CO -0.24 -0.69 0.38 -0.44 0.00 0.00 0.00 179.25 178.26 3b4t h ASP 140 N -0.33 0.59 -0.67 0.00 3.32 -0.71 0.02 116.42 118.64 3b4t h ASP 140 Ca 0.03 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 3b4t h ASP 140 Cb 0.35 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 3b4t h ASP 140 CO -0.10 0.41 0.19 0.00 -1.72 0.00 0.00 179.24 178.02 3b4t h ALA 141 N 1.66 0.87 -0.14 3.45 0.00 -0.17 -0.24 119.26 124.70 3b4t h ALA 141 Ca 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3b4t h ALA 141 Cb 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3b4t h ALA 141 CO -0.06 0.57 0.04 0.28 0.00 0.00 0.00 179.25 180.08 3b4t h VAL 142 N 0.98 1.18 -0.60 0.00 2.07 0.10 -0.77 116.25 119.22 3b4t h VAL 142 Ca 0.21 -0.56 0.12 0.00 0.82 0.00 0.00 66.70 67.30 3b4t h VAL 142 Cb 0.33 1.30 -0.10 0.00 -1.52 0.00 0.00 31.29 31.29 3b4t h VAL 142 CO -0.00 0.17 0.02 0.74 0.02 0.00 0.00 177.57 178.51 3b4t h THR 143 N 0.04 0.53 0.05 2.57 2.02 -0.82 -0.23 112.91 117.06 3b4t h THR 143 Ca 0.04 -0.05 0.01 0.00 0.77 0.00 0.00 66.41 67.19 3b4t h THR 143 Cb 0.22 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 3b4t h THR 143 CO -0.00 0.02 -0.09 0.22 0.37 0.00 0.00 175.52 176.04 3b4t h TYR 144 N 0.14 -0.23 -0.32 3.16 3.20 -0.75 -1.30 116.97 120.87 3b4t h TYR 144 Ca 0.31 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.20 3b4t h TYR 144 Cb 0.50 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 3b4t h TYR 144 CO -0.34 -0.14 0.19 -0.07 -1.64 0.00 0.00 178.16 176.16 3b4t h LEU 145 N -0.18 0.31 -0.85 2.82 3.38 -0.32 -1.77 115.31 118.71 3b4t h LEU 145 Ca 0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3b4t h LEU 145 Cb 0.20 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3b4t h LEU 145 CO -0.06 0.23 0.16 0.77 0.09 0.00 0.00 178.44 179.63 3b4t h SER 146 N 0.39 0.96 0.46 -0.43 4.64 -1.01 -0.72 113.55 117.84 3b4t h SER 146 Ca 0.12 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3b4t h SER 146 Cb -0.01 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 61.83 3b4t h SER 146 CO -0.05 0.92 0.00 0.00 -0.87 0.00 0.00 176.83 176.83 3b4t n ALA 147 N -2.46 1.44 0.42 5.18 0.00 -0.50 -0.99 120.51 123.61 3b4t n ALA 147 Ca 0.05 0.11 0.10 0.00 0.00 0.00 0.00 53.44 53.70 3b4t n ALA 147 Cb 0.25 -1.34 0.15 0.00 0.00 0.00 0.00 19.45 18.50 3b4t n ALA 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3b4t n ALA 148 N -1.75 2.41 -1.26 0.00 0.00 -0.34 -4.62 120.51 114.95 3b4t n ALA 148 Ca 0.01 -0.87 -0.09 0.00 0.00 0.00 0.00 53.44 52.49 3b4t n ALA 148 Cb 0.16 -0.70 -0.04 0.00 0.00 0.00 0.00 19.45 18.87 3b4t n ALA 148 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3b4t n GLY 149 N 1.18 0.92 1.45 0.00 0.00 -0.16 -4.83 105.19 103.75 3b4t n GLY 149 Ca 0.15 -0.08 0.06 0.00 0.00 0.00 0.00 46.02 46.15 3b4t n GLY 149 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3b4t n LYS 150 N -1.04 3.63 -4.46 1.61 5.02 -0.80 -4.88 118.16 117.24 3b4t n LYS 150 Ca -0.09 -2.30 -0.33 0.00 -2.02 0.00 0.00 58.31 53.57 3b4t n LYS 150 Cb 0.51 -1.96 -0.10 0.00 -0.02 0.00 0.00 35.03 33.46 3b4t n LYS 150 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3b4t s LEU 151 N -1.87 3.24 0.04 -0.35 1.43 -1.25 -4.09 118.68 115.82 3b4t s LEU 151 Ca 0.40 -0.09 0.11 0.00 -1.03 0.00 0.00 54.13 53.53 3b4t s LEU 151 Cb 0.29 -1.82 -0.20 0.00 0.03 0.00 0.00 46.19 44.49 3b4t s LEU 151 CO 0.14 0.30 0.92 -1.28 0.23 0.00 0.00 176.35 176.67 3b4t h SER 152 N 4.66 0.00 -3.27 2.29 0.87 -1.70 -3.45 113.55 112.95 3b4t h SER 152 Ca -0.49 0.00 -0.66 0.00 -1.23 0.00 0.00 61.79 59.42 3b4t h SER 152 Cb 1.17 0.00 -0.34 0.00 -0.44 0.00 0.00 62.40 62.79 3b4t h SER 152 CO 0.54 0.92 -0.87 -1.81 -0.53 0.00 0.00 176.83 175.09 3b4t s ASP 153 N -6.27 2.93 0.51 6.23 1.11 -0.52 -5.01 116.67 115.65 3b4t s ASP 153 Ca -0.02 -0.55 0.28 0.00 0.18 0.00 0.00 52.55 52.44 3b4t s ASP 153 Cb 0.09 -1.35 1.39 0.00 1.07 0.00 0.00 42.92 44.12 3b4t s ASP 153 CO 0.82 0.10 1.89 -0.65 1.18 0.00 0.00 175.17 178.51 3b4t h PRO 154 N 7.10 0.08 -2.90 8.23 0.11 -1.89 -3.30 132.00 139.42 3b4t h PRO 154 Ca -0.27 -0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.23 3b4t h PRO 154 Cb 1.21 -0.02 -0.40 0.00 0.11 0.00 0.00 31.00 31.90 3b4t h PRO 154 CO 0.51 0.05 -0.77 1.03 -0.21 0.00 0.00 178.00 178.61 3b4t s ARG 155 N -5.07 0.99 0.36 1.05 1.81 -1.26 -4.96 118.95 111.87 3b4t s ARG 155 Ca -0.06 -1.69 0.19 0.00 -1.72 0.00 0.00 55.73 52.45 3b4t s ARG 155 Cb 0.22 -1.97 0.45 0.00 -0.45 0.00 0.00 34.95 33.20 3b4t s ARG 155 CO 0.77 -1.16 1.62 -1.35 -0.68 0.00 0.00 175.30 174.50 3b4t h PRO 156 N 6.96 0.00 -5.78 3.54 0.11 -1.89 -3.44 132.00 131.49 3b4t h PRO 156 Ca -0.00 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.52 3b4t h PRO 156 Cb 0.95 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.97 3b4t h PRO 156 CO 0.41 0.36 0.38 -0.51 -0.21 0.00 0.00 178.00 178.43 3b4t s LEU 157 N -6.63 4.11 0.00 2.35 1.43 -1.26 -0.76 118.68 117.92 3b4t s LEU 157 Ca 0.03 1.01 0.22 0.00 -1.03 0.00 0.00 54.13 54.36 3b4t s LEU 157 Cb 0.09 -3.13 -0.04 0.00 0.03 0.00 0.00 46.19 43.14 3b4t s LEU 157 CO 0.70 -0.45 1.04 -1.54 0.23 0.00 0.00 176.35 176.33 3b4t n SER 158 N 5.70 1.05 -3.68 2.29 3.41 -0.37 -5.00 113.62 117.01 3b4t n SER 158 Ca 0.04 -0.93 -0.01 0.00 -0.26 0.00 0.00 58.87 57.71 3b4t n SER 158 Cb 0.48 0.77 -0.01 0.00 -0.26 0.00 0.00 64.21 65.19 3b4t n SER 158 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3b4t s ALA 160 N -2.88 3.89 -0.09 0.00 0.00 -1.26 -4.82 121.76 116.59 3b4t s ALA 160 Ca 0.13 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.27 3b4t s ALA 160 Cb 0.01 -1.77 -0.01 0.00 0.00 0.00 0.00 23.12 21.35 3b4t s ALA 160 CO -0.01 0.78 -0.17 0.42 0.00 0.00 0.00 175.76 176.78 3b4t s ILE 161 N -1.40 2.74 0.04 0.00 -1.09 -1.26 -2.35 121.20 117.88 3b4t s ILE 161 Ca 0.30 -0.80 -0.09 0.00 -2.23 0.00 0.00 60.65 57.84 3b4t s ILE 161 Cb -0.13 -2.09 0.00 0.00 -1.58 0.00 0.00 42.46 38.66 3b4t s ILE 161 CO 0.23 0.55 0.17 0.00 -1.23 0.00 0.00 174.94 174.66 3b4t s ALA 162 N 0.02 -0.30 -0.00 9.38 0.00 -0.93 -4.65 121.76 125.27 3b4t s ALA 162 Ca -0.06 -0.33 -0.05 0.00 0.00 0.00 0.00 51.96 51.52 3b4t s ALA 162 Cb -0.15 0.27 -0.00 0.00 0.00 0.00 0.00 23.12 23.24 3b4t s ALA 162 CO 0.05 -0.35 0.09 0.00 0.00 0.00 0.00 175.76 175.55 3b4t s ALA 163 N -2.54 -0.21 0.01 0.00 0.00 -1.26 -1.42 121.76 116.34 3b4t s ALA 163 Ca -0.05 -0.15 -0.08 0.00 0.00 0.00 0.00 51.96 51.68 3b4t s ALA 163 Cb -0.01 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.17 3b4t s ALA 163 CO -0.04 -0.17 0.15 0.54 0.00 0.00 0.00 175.76 176.24 3b4t s VAL 164 N -1.12 0.09 0.28 0.00 0.11 -0.75 -4.58 120.40 114.43 3b4t s VAL 164 Ca -0.12 -0.75 -0.15 0.00 -2.93 0.00 0.00 61.98 58.03 3b4t s VAL 164 Cb -0.07 -0.53 -0.08 0.00 -1.53 0.00 0.00 36.38 34.17 3b4t s VAL 164 CO 0.01 -0.41 0.69 -0.94 -3.33 0.00 0.00 175.10 171.12 3b4t s SER 165 N -1.53 6.81 -0.04 3.54 1.04 -1.26 -0.71 113.70 121.55 3b4t s SER 165 Ca -0.13 1.24 -0.14 0.00 0.48 0.00 0.00 55.95 57.40 3b4t s SER 165 Cb -0.06 -2.35 0.02 0.00 0.10 0.00 0.00 66.02 63.73 3b4t s SER 165 CO 0.01 -0.12 0.31 0.54 0.98 0.00 0.00 173.24 174.96 3b4t s VAL 166 N -1.84 0.04 0.08 5.02 0.11 -0.18 0.40 120.40 124.03 3b4t s VAL 166 Ca 0.50 -0.36 -0.13 0.00 -2.93 0.00 0.00 61.98 59.06 3b4t s VAL 166 Cb -0.12 -0.57 0.05 0.00 -1.53 0.00 0.00 36.38 34.21 3b4t s VAL 166 CO 0.19 -0.20 0.63 0.61 -3.33 0.00 0.00 175.10 173.00 3b4t n GLY 167 N 1.70 0.78 3.32 6.54 0.00 -0.87 -1.01 105.19 115.64 3b4t n GLY 167 Ca -0.19 -1.03 -0.38 0.00 0.00 0.00 0.00 46.02 44.42 3b4t n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b4t s VAL 168 N -2.23 3.95 -0.15 1.61 1.01 0.43 -1.24 120.40 123.77 3b4t s VAL 168 Ca 0.14 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.25 3b4t s VAL 168 Cb -0.01 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.26 3b4t s VAL 168 CO 0.02 -0.05 -0.16 -0.69 0.00 0.00 0.00 175.10 174.22 3b4t s VAL 169 N 1.47 1.68 -1.20 2.92 1.01 -0.08 -1.02 120.40 125.18 3b4t s VAL 169 Ca 0.01 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 3b4t s VAL 169 Cb -0.18 -1.55 0.01 0.00 0.00 0.00 0.00 36.38 34.66 3b4t s VAL 169 CO 0.03 0.48 0.85 0.47 0.00 0.00 0.00 175.10 176.93 3b4t n ASP 170 N 4.59 -5.62 0.00 3.32 8.00 -1.26 -2.72 116.55 122.86 3b4t n ASP 170 Ca -0.18 -0.39 0.00 0.00 0.71 0.00 0.00 54.79 54.93 3b4t n ASP 170 Cb 0.50 -4.30 0.00 0.00 -0.02 0.00 0.00 41.12 37.31 3b4t n ASP 170 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3b4t n GLY 171 N -1.66 0.73 3.12 0.44 0.00 -1.26 -5.01 105.19 101.55 3b4t n GLY 171 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 3b4t n GLY 171 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3b4t s ARG 172 N -0.18 0.68 0.06 1.61 1.70 -1.10 -5.09 118.95 116.62 3b4t s ARG 172 Ca 0.00 -0.88 -0.30 0.00 -0.47 0.00 0.00 55.73 54.07 3b4t s ARG 172 Cb 0.00 -0.54 -0.05 0.00 -0.57 0.00 0.00 34.95 33.78 3b4t s ARG 172 CO 0.00 0.11 1.17 0.42 -1.08 0.00 0.00 175.30 175.92 3b4t s ILE 173 N -1.46 4.13 0.03 4.99 1.01 -1.26 -0.90 121.20 127.74 3b4t s ILE 173 Ca -0.05 1.53 0.01 0.00 0.00 0.00 0.00 60.65 62.14 3b4t s ILE 173 Cb -0.09 -3.98 -0.02 0.00 0.01 0.00 0.00 42.46 38.37 3b4t s ILE 173 CO 0.01 0.12 -0.06 -0.13 0.00 0.00 0.00 174.94 174.89 3b4t s ARG 174 N 1.02 0.43 0.06 2.79 0.52 -0.38 -4.77 118.95 118.63 3b4t s ARG 174 Ca 0.58 -0.70 0.04 0.00 -0.52 0.00 0.00 55.73 55.13 3b4t s ARG 174 Cb -0.28 -0.10 -0.04 0.00 0.52 0.00 0.00 34.95 35.05 3b4t s ARG 174 CO 0.29 0.00 -0.02 0.54 0.02 0.00 0.00 175.30 176.14 3b4t s VAL 175 N -1.45 3.95 -0.67 3.52 0.11 -0.54 -2.06 120.40 123.26 3b4t s VAL 175 Ca -0.13 -0.91 -0.05 0.00 -2.93 0.00 0.00 61.98 57.97 3b4t s VAL 175 Cb -0.10 -2.84 0.01 0.00 -1.53 0.00 0.00 36.38 31.92 3b4t s VAL 175 CO -0.00 0.20 0.67 -0.67 -3.33 0.00 0.00 175.10 171.97 3b4t n ASP 176 N 0.85 -7.49 -4.69 3.54 2.03 0.16 -4.79 116.55 106.16 3b4t n ASP 176 Ca -0.12 -0.03 -0.42 0.00 0.52 0.00 0.00 54.79 54.74 3b4t n ASP 176 Cb 0.52 -4.88 -0.03 0.00 -0.72 0.00 0.00 41.12 36.01 3b4t n ASP 176 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3b4t s LEU 177 N -3.75 4.25 1.07 -2.67 1.43 -1.26 -4.77 118.68 112.99 3b4t s LEU 177 Ca 0.07 1.55 -0.15 0.00 -1.03 0.00 0.00 54.13 54.57 3b4t s LEU 177 Cb -0.02 -3.56 0.22 0.00 0.03 0.00 0.00 46.19 42.87 3b4t s LEU 177 CO 0.77 -0.45 1.12 -2.16 0.23 0.00 0.00 176.35 175.87 3b4t s PRO 178 N 1.97 -0.16 0.18 1.29 0.04 -1.26 -3.58 135.00 133.47 3b4t s PRO 178 Ca 0.49 0.17 -0.14 0.00 0.04 0.00 0.00 61.00 61.56 3b4t s PRO 178 Cb -0.19 -1.70 0.15 0.00 0.04 0.00 0.00 34.50 32.80 3b4t s PRO 178 CO 0.19 -3.05 1.74 -0.92 0.04 0.00 0.00 177.00 175.00 3b4t h TYR 179 N -2.11 0.26 -0.38 0.56 3.20 -1.63 -0.79 116.97 116.07 3b4t h TYR 179 Ca -0.50 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.38 3b4t h TYR 179 Cb 1.31 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.51 3b4t h TYR 179 CO -0.78 0.08 0.18 1.05 -1.64 0.00 0.00 178.16 177.05 3b4t h GLU 180 N 0.31 0.53 0.05 1.82 -0.00 -1.93 -0.99 114.58 114.37 3b4t h GLU 180 Ca 0.22 -0.06 -0.12 0.00 -0.00 0.00 0.00 59.36 59.41 3b4t h GLU 180 Cb 0.24 -0.11 0.01 0.00 -0.00 0.00 0.00 28.75 28.89 3b4t h GLU 180 CO -0.24 0.42 -0.49 0.93 -0.00 0.00 0.00 179.01 179.63 3b4t h GLU 181 N 0.54 0.25 -0.98 1.06 5.08 -1.84 -3.33 114.58 115.35 3b4t h GLU 181 Ca 0.14 -0.33 0.12 0.00 -1.00 0.00 0.00 59.36 58.29 3b4t h GLU 181 Cb 0.06 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.34 3b4t h GLU 181 CO -0.02 1.08 0.62 0.22 -1.00 0.00 0.00 179.01 179.92 3b4t h ASP 182 N -0.43 0.89 0.00 1.42 3.58 -0.75 -1.10 116.42 120.02 3b4t h ASP 182 Ca -0.07 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.42 3b4t h ASP 182 Cb 1.29 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.21 3b4t h ASP 182 CO 0.09 0.47 0.00 -1.54 -2.88 0.00 0.00 179.24 175.39 3b4t n SER 183 N -4.60 0.00 -0.84 2.28 3.41 -0.41 -3.02 113.62 110.44 3b4t n SER 183 Ca 0.18 -0.78 0.01 0.00 -0.26 0.00 0.00 58.87 58.03 3b4t n SER 183 Cb 0.36 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 3b4t n SER 183 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3b4t n ARG 184 N -0.95 0.00 -2.94 4.33 1.85 -0.47 -5.09 116.66 113.38 3b4t n ARG 184 Ca 0.15 -1.21 -0.40 0.00 -1.00 0.00 0.00 57.85 55.39 3b4t n ARG 184 Cb 0.07 -0.24 -0.05 0.00 -1.05 0.00 0.00 32.46 31.19 3b4t n ARG 184 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3b4t s ALA 185 N 0.00 3.34 0.08 2.89 0.00 -0.86 -4.63 121.76 122.57 3b4t s ALA 185 Ca 0.11 0.32 -0.16 0.00 0.00 0.00 0.00 51.96 52.22 3b4t s ALA 185 Cb 0.12 -3.05 -0.12 0.00 0.00 0.00 0.00 23.12 20.07 3b4t s ALA 185 CO -0.05 0.02 1.35 0.93 0.00 0.00 0.00 175.76 178.01 3b4t h GLU 186 N 5.85 0.61 -5.57 0.00 5.08 -1.44 -3.44 114.58 115.67 3b4t h GLU 186 Ca -0.43 -0.37 -0.49 0.00 -1.00 0.00 0.00 59.36 57.06 3b4t h GLU 186 Cb 1.21 0.04 -0.25 0.00 0.50 0.00 0.00 28.75 30.24 3b4t h GLU 186 CO 0.72 0.98 -0.81 0.08 -1.00 0.00 0.00 179.01 178.98 3b4t s VAL 187 N -4.14 1.29 -0.22 3.13 1.01 -1.23 -4.64 120.40 115.61 3b4t s VAL 187 Ca -0.13 -1.04 -0.24 0.00 0.00 0.00 0.00 61.98 60.57 3b4t s VAL 187 Cb 0.07 -1.15 0.06 0.00 0.00 0.00 0.00 36.38 35.37 3b4t s VAL 187 CO 0.82 0.09 0.66 -0.62 0.00 0.00 0.00 175.10 176.05 3b4t s ASP 188 N -1.11 -0.68 0.20 3.32 3.68 -1.26 -0.43 116.67 120.39 3b4t s ASP 188 Ca 0.04 1.24 -0.23 0.00 2.13 0.00 0.00 52.55 55.72 3b4t s ASP 188 Cb -0.08 1.23 0.05 0.00 -1.45 0.00 0.00 42.92 42.68 3b4t s ASP 188 CO 0.01 -0.29 0.90 0.00 0.13 0.00 0.00 175.17 175.93 3b4t s MET 189 N 0.11 1.43 -0.10 4.34 0.23 -0.18 -2.39 119.30 122.74 3b4t s MET 189 Ca -0.02 -0.82 0.03 0.00 -1.03 0.00 0.00 55.69 53.85 3b4t s MET 189 Cb -0.04 0.47 0.01 0.00 -1.53 0.00 0.00 34.83 33.73 3b4t s MET 189 CO 0.02 -0.66 -0.19 -0.80 -2.03 0.00 0.00 175.02 171.37 3b4t s ASN 190 N -3.00 2.63 -0.27 -1.18 0.01 0.54 -1.01 114.94 112.66 3b4t s ASN 190 Ca 0.13 -0.47 -0.07 0.00 -0.71 0.00 0.00 52.86 51.74 3b4t s ASN 190 Cb -0.03 -1.20 -0.01 0.00 0.41 0.00 0.00 41.25 40.42 3b4t s ASN 190 CO 0.04 0.09 0.08 -0.69 -1.51 0.00 0.00 177.10 175.11 3b4t s VAL 191 N 0.61 4.21 -0.22 1.60 1.01 0.12 -0.69 120.40 127.03 3b4t s VAL 191 Ca -0.14 -0.38 -0.07 0.00 0.00 0.00 0.00 61.98 61.39 3b4t s VAL 191 Cb -0.17 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 3b4t s VAL 191 CO 0.04 0.22 0.06 -0.69 0.00 0.00 0.00 175.10 174.74 3b4t s VAL 192 N 1.58 4.48 0.24 2.92 1.01 -0.39 -1.82 120.40 128.41 3b4t s VAL 192 Ca 0.05 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 61.91 3b4t s VAL 192 Cb -0.16 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 3b4t s VAL 192 CO 0.03 0.39 0.08 0.00 0.00 0.00 0.00 175.10 175.60 3b4t s ALA 193 N 1.11 1.60 0.40 5.51 0.00 -0.51 -0.84 121.76 129.03 3b4t s ALA 193 Ca 0.04 -1.80 0.08 0.00 0.00 0.00 0.00 51.96 50.28 3b4t s ALA 193 Cb -0.14 0.99 -0.03 0.00 0.00 0.00 0.00 23.12 23.94 3b4t s ALA 193 CO 0.03 -0.45 0.31 0.95 0.00 0.00 0.00 175.76 176.61 3b4t s THR 194 N -3.78 2.69 -2.22 0.00 -4.23 -0.69 -2.19 115.64 105.23 3b4t s THR 194 Ca 0.35 -1.44 0.19 0.00 -1.18 0.00 0.00 61.69 59.61 3b4t s THR 194 Cb 0.07 -3.02 0.44 0.00 1.34 0.00 0.00 72.50 71.34 3b4t s THR 194 CO 0.12 -0.03 1.53 -0.90 -0.54 0.00 0.00 174.62 174.79 3b4t n ASP 195 N -1.44 1.50 -1.99 3.99 3.85 -0.99 -4.00 116.55 117.47 3b4t n ASP 195 Ca 0.02 -1.71 -0.24 0.00 -0.71 0.00 0.00 54.79 52.14 3b4t n ASP 195 Cb 0.62 -0.11 0.06 0.00 -1.35 0.00 0.00 41.12 40.35 3b4t n ASP 195 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 3b4t n THR 196 N 0.22 2.84 -3.26 2.12 -2.24 -1.26 -4.95 114.28 107.75 3b4t n THR 196 Ca 0.15 -3.68 -0.22 0.00 -2.27 0.00 0.00 64.05 58.04 3b4t n THR 196 Cb 0.30 -1.04 0.06 0.00 -2.10 0.00 0.00 70.33 67.54 3b4t n THR 196 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3b4t n GLY 197 N -0.82 -0.44 3.24 3.38 0.00 -1.26 -5.01 105.19 104.28 3b4t n GLY 197 Ca 0.48 0.14 -0.14 0.00 0.00 0.00 0.00 46.02 46.50 3b4t n GLY 197 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3b4t s THR 198 N -3.22 0.27 0.29 2.61 -4.23 -1.26 -5.04 115.64 105.05 3b4t s THR 198 Ca 0.42 -1.99 0.09 0.00 -1.18 0.00 0.00 61.69 59.03 3b4t s THR 198 Cb -0.19 -2.48 -0.04 0.00 1.34 0.00 0.00 72.50 71.13 3b4t s THR 198 CO 0.52 -0.08 0.08 -0.76 -0.54 0.00 0.00 174.62 173.84 3b4t s LEU 199 N -3.21 3.33 -0.01 4.79 1.43 -1.26 -1.70 118.68 122.05 3b4t s LEU 199 Ca 0.36 -0.61 -0.00 0.00 -1.03 0.00 0.00 54.13 52.85 3b4t s LEU 199 Cb 0.07 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 3b4t s LEU 199 CO 0.11 -0.10 -0.01 0.52 0.23 0.00 0.00 176.35 177.10 3b4t n VAL 200 N -1.02 0.08 -3.57 -1.59 0.31 -0.02 -4.85 118.33 107.66 3b4t n VAL 200 Ca -0.06 -0.03 -0.10 0.00 -0.01 0.00 0.00 64.34 64.14 3b4t n VAL 200 Cb 0.59 -0.70 -0.05 0.00 -0.91 0.00 0.00 33.84 32.77 3b4t n VAL 200 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3b4t s GLU 201 N -2.03 0.60 -0.43 5.55 2.56 -1.15 -5.02 118.70 118.78 3b4t s GLU 201 Ca -0.02 0.12 0.03 0.00 0.00 0.00 0.00 54.97 55.11 3b4t s GLU 201 Cb 0.01 0.28 0.12 0.00 2.00 0.00 0.00 34.13 36.53 3b4t s GLU 201 CO 0.03 -0.19 0.17 0.42 -0.56 0.00 0.00 175.26 175.13 3b4t s ILE 202 N -1.20 2.16 -0.36 -3.70 1.01 -1.26 -1.26 121.20 116.58 3b4t s ILE 202 Ca -0.01 -2.72 -0.24 0.00 0.00 0.00 0.00 60.65 57.68 3b4t s ILE 202 Cb -0.00 -2.54 0.01 0.00 0.01 0.00 0.00 42.46 39.94 3b4t s ILE 202 CO 0.01 -0.74 0.83 -1.58 0.00 0.00 0.00 174.94 173.46 3b4t s GLN 203 N 0.36 3.79 0.42 2.79 0.74 0.13 -4.86 119.66 123.04 3b4t s GLN 203 Ca 0.14 0.41 -0.25 0.00 0.05 0.00 0.00 55.36 55.71 3b4t s GLN 203 Cb -0.23 -3.80 -0.08 0.00 1.10 0.00 0.00 33.01 30.00 3b4t s GLN 203 CO -0.05 -0.87 1.27 0.20 -0.55 0.00 0.00 175.29 175.29 3b4t s GLY 204 N 1.84 2.90 0.34 2.59 0.00 -1.26 -0.34 107.32 113.39 3b4t s GLY 204 Ca 0.33 1.17 0.05 0.00 0.00 0.00 0.00 44.72 46.27 3b4t s GLY 204 CO 0.17 1.72 0.19 -0.51 0.00 0.00 0.00 173.10 174.68 3b4t s THR 205 N -1.31 0.27 0.00 0.90 -4.23 -1.00 -4.89 115.64 105.38 3b4t s THR 205 Ca 0.58 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 3b4t s THR 205 Cb -0.36 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.02 3b4t s THR 205 CO 0.46 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.15 3b4t n GLY 206 N -0.68 -1.65 0.15 3.99 0.00 -1.26 -4.35 105.19 101.38 3b4t n GLY 206 Ca 0.01 -1.53 0.05 0.00 0.00 0.00 0.00 46.02 44.55 3b4t n GLY 206 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3b4t h GLU 207 N 0.00 0.00 0.00 1.61 4.81 -1.95 -3.49 114.58 115.56 3b4t h GLU 207 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3b4t h GLU 207 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3b4t h GLU 207 CO 0.00 0.32 0.00 0.41 -0.73 0.00 0.00 179.01 179.01 3b4t n GLY 208 N 1.22 3.55 3.45 1.92 0.00 -1.26 -5.18 105.19 108.89 3b4t n GLY 208 Ca 0.01 -1.29 -0.12 0.00 0.00 0.00 0.00 46.02 44.62 3b4t n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b4t s ALA 209 N 0.00 -1.67 0.37 4.61 0.00 -1.26 -5.07 121.76 118.74 3b4t s ALA 209 Ca 0.00 0.69 -0.01 0.00 0.00 0.00 0.00 51.96 52.64 3b4t s ALA 209 Cb 0.00 0.69 -0.03 0.00 0.00 0.00 0.00 23.12 23.77 3b4t s ALA 209 CO 0.00 -0.71 0.59 0.95 0.00 0.00 0.00 175.76 176.59 3b4t s THR 210 N -3.37 5.07 -0.10 0.00 -4.23 -1.26 -5.00 115.64 106.75 3b4t s THR 210 Ca 0.01 -0.33 -0.18 0.00 -1.18 0.00 0.00 61.69 60.00 3b4t s THR 210 Cb -0.01 -3.86 0.04 0.00 1.34 0.00 0.00 72.50 70.01 3b4t s THR 210 CO -0.10 -0.60 0.45 0.72 -0.54 0.00 0.00 174.62 174.55 3b4t s PHE 211 N -2.38 -0.42 0.63 3.99 -0.71 -1.26 -4.92 117.98 112.91 3b4t s PHE 211 Ca 0.41 0.89 -0.14 0.00 -1.04 0.00 0.00 56.93 57.05 3b4t s PHE 211 Cb -0.10 0.19 -0.02 0.00 -1.21 0.00 0.00 43.02 41.88 3b4t s PHE 211 CO 0.37 -0.36 1.07 0.00 -1.34 0.00 0.00 175.22 174.96 3b4t s ALA 212 N -0.55 2.67 0.17 1.99 0.00 -1.26 -4.88 121.76 119.91 3b4t s ALA 212 Ca -0.07 0.34 -0.14 0.00 0.00 0.00 0.00 51.96 52.09 3b4t s ALA 212 Cb -0.03 -3.23 0.13 0.00 0.00 0.00 0.00 23.12 19.99 3b4t s ALA 212 CO 0.04 -0.99 1.72 -0.09 0.00 0.00 0.00 175.76 176.43 3b4t h ARG 213 N 0.08 0.21 0.00 0.00 9.65 -2.02 -1.08 114.38 121.23 3b4t h ARG 213 Ca -0.46 -0.01 -0.05 0.00 -1.10 0.00 0.00 59.98 58.36 3b4t h ARG 213 Cb 1.22 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.75 3b4t h ARG 213 CO 0.57 0.14 -0.23 0.66 2.80 0.00 0.00 179.97 183.90 3b4t h SER 214 N 0.22 0.00 -0.55 -3.80 4.64 -2.00 -1.65 113.55 110.41 3b4t h SER 214 Ca 0.21 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.44 3b4t h SER 214 Cb 0.26 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 3b4t h SER 214 CO -0.28 0.23 -0.00 0.74 -0.87 0.00 0.00 176.83 176.65 3b4t h THR 215 N 0.00 1.26 -0.95 2.95 2.02 -1.63 -2.61 112.91 113.94 3b4t h THR 215 Ca -0.00 -1.13 0.02 0.00 0.77 0.00 0.00 66.41 66.07 3b4t h THR 215 Cb 0.41 0.82 -0.05 0.00 -1.74 0.00 0.00 68.15 67.59 3b4t h THR 215 CO 0.03 0.41 0.63 0.25 0.37 0.00 0.00 175.52 177.21 3b4t h LEU 216 N 0.92 1.07 -0.74 2.58 5.85 -0.29 0.10 115.31 124.79 3b4t h LEU 216 Ca 0.17 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3b4t h LEU 216 Cb 0.54 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 3b4t h LEU 216 CO 0.03 0.75 0.44 0.44 -0.34 0.00 0.00 178.44 179.76 3b4t h ASP 217 N 1.25 0.90 -0.33 1.25 3.32 -1.17 -0.41 116.42 121.23 3b4t h ASP 217 Ca 0.37 -0.07 -0.15 0.00 0.02 0.00 0.00 57.03 57.19 3b4t h ASP 217 Cb -0.07 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.25 3b4t h ASP 217 CO -0.10 0.71 -0.38 0.11 -1.72 0.00 0.00 179.24 177.86 3b4t h LYS 218 N 1.02 0.84 -0.37 3.56 1.57 -1.03 -1.45 116.57 120.71 3b4t h LYS 218 Ca 0.27 -0.46 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 3b4t h LYS 218 Cb -0.02 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3b4t h LYS 218 CO -0.05 1.10 0.20 -0.07 -0.57 0.00 0.00 179.45 180.07 3b4t h LEU 219 N 0.62 0.47 -0.34 2.94 3.38 -0.60 -2.30 115.31 119.48 3b4t h LEU 219 Ca 0.05 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 3b4t h LEU 219 Cb 0.97 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 3b4t h LEU 219 CO 0.09 0.42 -0.12 -0.07 0.09 0.00 0.00 178.44 178.86 3b4t h LEU 220 N 0.48 0.69 -0.29 1.67 3.38 -1.06 -0.58 115.31 119.59 3b4t h LEU 220 Ca 0.13 -0.38 0.06 0.00 0.09 0.00 0.00 57.88 57.78 3b4t h LEU 220 Cb 0.06 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.56 3b4t h LEU 220 CO -0.02 0.92 -0.14 0.44 0.09 0.00 0.00 178.44 179.73 3b4t h ASP 221 N 0.46 -0.47 -0.36 -0.43 3.32 -1.16 0.17 116.42 117.95 3b4t h ASP 221 Ca 0.08 0.11 -0.13 0.00 0.02 0.00 0.00 57.03 57.12 3b4t h ASP 221 Cb 0.64 0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 3b4t h ASP 221 CO 0.04 -0.17 -0.27 -0.03 -1.72 0.00 0.00 179.24 177.09 3b4t h MET 222 N -0.10 0.82 -0.51 3.56 4.05 -1.36 -2.62 114.93 118.76 3b4t h MET 222 Ca 0.15 -0.40 -0.04 0.00 -0.28 0.00 0.00 59.70 59.14 3b4t h MET 222 Cb 0.32 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.10 3b4t h MET 222 CO -0.35 1.03 0.17 0.00 0.23 0.00 0.00 176.91 177.99 3b4t h ALA 223 N 0.77 0.67 0.00 0.39 0.00 -0.79 -2.40 119.26 117.90 3b4t h ALA 223 Ca 0.07 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3b4t h ALA 223 Cb 0.84 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3b4t h ALA 223 CO 0.07 0.31 -0.25 -0.07 0.00 0.00 0.00 179.25 179.31 3b4t h LEU 224 N 0.69 0.00 -0.28 0.00 3.38 -0.66 -1.57 115.31 116.87 3b4t h LEU 224 Ca 0.17 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.98 3b4t h LEU 224 Cb 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3b4t h LEU 224 CO -0.01 0.25 -0.42 1.23 0.09 0.00 0.00 178.44 179.58 3b4t h GLY 225 N 1.75 0.86 1.00 0.83 0.00 -1.18 -3.02 103.07 103.31 3b4t h GLY 225 Ca -0.00 -0.96 -0.05 0.00 0.00 0.00 0.00 47.33 46.32 3b4t h GLY 225 CO 0.03 0.87 0.20 0.00 0.00 0.00 0.00 176.54 177.64 3b4t h ALA 226 N 0.68 0.78 -0.61 3.60 0.00 -0.99 -3.00 119.26 119.72 3b4t h ALA 226 Ca 0.03 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.77 3b4t h ALA 226 Cb 1.02 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 3b4t h ALA 226 CO 0.10 0.44 0.40 0.00 0.00 0.00 0.00 179.25 180.19 3b4t h ASP 228 N 0.73 0.97 -0.70 0.00 3.32 -1.40 0.26 116.42 119.61 3b4t h ASP 228 Ca 0.24 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 3b4t h ASP 228 Cb 0.05 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 3b4t h ASP 228 CO -0.06 0.68 0.37 0.74 -1.72 0.00 0.00 179.24 179.25 3b4t h THR 229 N 1.14 1.22 -0.75 0.35 2.02 -1.34 -1.79 112.91 113.76 3b4t h THR 229 Ca 0.34 -0.58 -0.05 0.00 0.77 0.00 0.00 66.41 66.89 3b4t h THR 229 Cb -0.06 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 66.64 3b4t h THR 229 CO -0.10 0.25 0.28 -0.07 0.37 0.00 0.00 175.52 176.25 3b4t h LEU 230 N 0.97 1.06 -1.19 2.58 3.38 -0.65 -0.97 115.31 120.49 3b4t h LEU 230 Ca 0.25 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3b4t h LEU 230 Cb 0.06 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3b4t h LEU 230 CO -0.04 0.95 0.15 -0.26 0.09 0.00 0.00 178.44 179.33 3b4t h PHE 231 N 1.11 0.72 0.33 1.13 0.04 -0.21 -0.55 116.94 119.51 3b4t h PHE 231 Ca 0.25 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.96 3b4t h PHE 231 Cb 0.24 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.18 3b4t h PHE 231 CO 0.02 0.60 -0.16 0.00 -0.60 0.00 0.00 178.31 178.17 3b4t h ALA 232 N 1.47 -0.45 -0.91 2.45 0.00 -0.73 -1.66 119.26 119.43 3b4t h ALA 232 Ca 0.16 -0.16 0.16 0.00 0.00 0.00 0.00 54.91 55.07 3b4t h ALA 232 Cb 0.21 0.17 -0.10 0.00 0.00 0.00 0.00 17.79 18.08 3b4t h ALA 232 CO -0.01 -0.65 0.51 0.00 0.00 0.00 0.00 179.25 179.10 3b4t h ALA 233 N -0.04 1.42 -0.21 0.00 0.00 -0.87 0.07 119.26 119.63 3b4t h ALA 233 Ca -0.05 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3b4t h ALA 233 Cb 0.46 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3b4t h ALA 233 CO 0.07 -0.04 0.10 1.96 0.00 0.00 0.00 179.25 181.35 3b4t h GLN 234 N 0.71 0.30 0.12 0.00 4.20 -1.00 -2.44 115.11 116.99 3b4t h GLN 234 Ca 0.50 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.17 3b4t h GLN 234 Cb 0.71 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 3b4t h GLN 234 CO -0.36 0.31 -0.10 0.00 -0.67 0.00 0.00 178.83 178.01 3b4t h ARG 235 N 0.21 -0.23 -0.73 1.46 3.08 -0.21 -0.99 114.38 116.98 3b4t h ARG 235 Ca 0.07 0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.24 3b4t h ARG 235 Cb 0.11 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.13 3b4t h ARG 235 CO -0.01 -0.15 0.35 -0.44 -1.07 0.00 0.00 179.97 178.64 3b4t h ASP 236 N -0.24 0.42 -0.46 7.04 3.32 -1.01 0.16 116.42 125.65 3b4t h ASP 236 Ca 0.00 0.07 -0.13 0.00 0.02 0.00 0.00 57.03 56.99 3b4t h ASP 236 Cb 0.22 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3b4t h ASP 236 CO -0.02 0.23 -0.24 0.00 -1.72 0.00 0.00 179.24 177.48 3b4t h ALA 237 N 1.46 0.65 0.00 3.45 0.00 -1.23 -2.72 119.26 120.87 3b4t h ALA 237 Ca 0.37 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3b4t h ALA 237 Cb 0.44 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3b4t h ALA 237 CO -0.30 0.65 0.00 -0.07 0.00 0.00 0.00 179.25 179.53 3b4t h LEU 238 N 0.82 0.00 -1.18 0.00 3.38 -0.45 -2.91 115.31 114.98 3b4t h LEU 238 Ca 0.10 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 3b4t h LEU 238 Cb 0.82 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 3b4t h LEU 238 CO 0.07 0.00 -0.31 0.00 0.09 0.00 0.00 178.44 178.29 3b4t h ALA 239 N 2.20 1.31 -2.54 1.53 0.00 -0.37 -3.44 119.26 117.96 3b4t h ALA 239 Ca 0.00 -0.33 -0.52 0.00 0.00 0.00 0.00 54.91 54.07 3b4t h ALA 239 Cb 0.57 -0.08 0.12 0.00 0.00 0.00 0.00 17.79 18.40 3b4t h ALA 239 CO 0.00 0.48 0.38 -0.51 0.00 0.00 0.00 179.25 179.60 3b4t s LEU 240 N -8.39 3.38 0.81 0.00 1.43 -1.10 -4.99 118.68 109.83 3b4t s LEU 240 Ca -0.04 2.13 -0.13 0.00 -1.03 0.00 0.00 54.13 55.06 3b4t s LEU 240 Cb 0.14 -4.57 0.09 0.00 0.03 0.00 0.00 46.19 41.88 3b4t s LEU 240 CO 0.75 -1.83 1.19 -2.84 0.23 0.00 0.00 176.35 173.85 3b4t s PRO 241 N -3.99 1.62 -0.10 1.29 0.02 -1.26 -4.95 135.00 127.62 3b4t s PRO 241 Ca 0.70 1.70 -0.30 0.00 0.02 0.00 0.00 61.00 63.12 3b4t s PRO 241 Cb -0.24 -1.78 -0.02 0.00 0.02 0.00 0.00 34.50 32.48 3b4t s PRO 241 CO 0.42 -2.22 1.16 -0.47 -0.33 0.00 0.00 177.00 175.56 3b4t s TYR 242 N -2.24 3.21 -0.60 6.54 5.04 -1.26 -4.99 117.35 123.05 3b4t s TYR 242 Ca 0.72 1.28 -0.28 0.00 -2.44 0.00 0.00 57.07 56.35 3b4t s TYR 242 Cb -0.27 -3.38 0.03 0.00 0.35 0.00 0.00 41.96 38.69 3b4t s TYR 242 CO 0.51 -1.09 1.19 -2.14 -1.34 0.00 0.00 175.55 172.68 3b4t s PRO 243 N 2.49 3.47 0.00 4.97 0.02 -1.26 -4.04 135.00 140.65 3b4t s PRO 243 Ca 0.53 0.16 0.00 0.00 0.02 0.00 0.00 61.00 61.71 3b4t s PRO 243 Cb -0.22 -4.04 0.00 0.00 0.02 0.00 0.00 34.50 30.26 3b4t s PRO 243 CO 0.18 -1.73 0.00 0.41 -0.33 0.00 0.00 177.00 175.54 3b4t n GLY 244 N 5.10 3.61 0.92 0.52 0.00 -1.26 -4.92 105.19 109.16 3b4t n GLY 244 Ca 0.07 -0.65 0.05 0.00 0.00 0.00 0.00 46.02 45.50 3b4t n GLY 244 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3b4t n VAL 245 N 0.00 -1.17 -3.15 1.61 0.31 -1.26 -5.04 118.33 109.64 3b4t n VAL 245 Ca 0.00 0.73 0.04 0.00 -0.01 0.00 0.00 64.34 65.11 3b4t n VAL 245 Cb 0.00 -1.17 -0.01 0.00 -0.91 0.00 0.00 33.84 31.75 3b4t n VAL 245 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3b4t s LEU 246 N -5.24 -1.24 0.00 7.52 1.98 -1.26 -5.18 118.68 115.25 3b4t s LEU 246 Ca 0.00 0.74 0.19 0.00 -2.89 0.00 0.00 54.13 52.18 3b4t s LEU 246 Cb 0.00 2.03 1.15 0.00 0.66 0.00 0.00 46.19 50.03 3b4t s LEU 246 CO 0.00 -0.23 1.54 -2.65 -1.89 0.00 0.00 176.35 173.12