#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a1v n GLN 4 N 0.00 0.35 -1.40 1.47 -0.06 -1.26 -5.00 117.38 111.49 2a1v n GLN 4 Ca 0.00 0.11 -0.29 0.00 -2.00 0.00 0.00 57.00 54.82 2a1v n GLN 4 Cb 0.00 -1.76 0.13 0.00 -4.06 0.00 0.00 30.24 24.55 2a1v n GLN 4 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 2a1v s THR 5 N 5.35 2.55 -1.49 1.69 -4.23 -1.26 -4.95 115.64 113.29 2a1v s THR 5 Ca 1.12 0.18 0.09 0.00 -1.18 0.00 0.00 61.69 61.90 2a1v s THR 5 Cb -1.32 -2.82 0.17 0.00 1.34 0.00 0.00 72.50 69.87 2a1v s THR 5 CO 0.66 -0.23 1.15 -2.65 -0.54 0.00 0.00 174.62 173.01 2a1v n PRO 6 N -3.75 0.15 -4.11 3.99 -0.02 -1.26 -4.82 135.00 125.18 2a1v n PRO 6 Ca 0.07 0.18 -0.36 0.00 -2.02 0.00 0.00 63.50 61.36 2a1v n PRO 6 Cb 0.57 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.52 2a1v n PRO 6 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2a1v n MET 7 N -1.25 -1.04 0.00 -0.52 2.81 -1.26 -4.75 117.12 111.10 2a1v n MET 7 Ca 0.05 0.16 0.00 0.00 -1.81 0.00 0.00 57.70 56.10 2a1v n MET 7 Cb 0.07 -3.36 0.00 0.00 -0.71 0.00 0.00 33.22 29.22 2a1v n MET 7 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2a1v n GLN 8 N -4.71 3.14 -4.41 0.03 6.02 -1.26 -4.77 117.38 111.42 2a1v n GLN 8 Ca -0.22 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.57 2a1v n GLN 8 Cb 0.63 -0.33 -0.10 0.00 1.02 0.00 0.00 30.24 31.46 2a1v n GLN 8 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2a1v s THR 9 N -0.53 1.56 0.21 5.09 -4.23 -1.26 -4.62 115.64 111.87 2a1v s THR 9 Ca 0.00 -2.12 -0.10 0.00 -1.18 0.00 0.00 61.69 58.30 2a1v s THR 9 Cb 0.00 -2.40 0.17 0.00 1.34 0.00 0.00 72.50 71.61 2a1v s THR 9 CO 0.00 -0.33 1.88 0.58 -0.54 0.00 0.00 174.62 176.21 2a1v h VAL 10 N 2.33 1.21 -0.94 2.29 2.07 -1.98 -1.58 116.25 119.64 2a1v h VAL 10 Ca -0.40 -0.39 0.11 0.00 0.82 0.00 0.00 66.70 66.84 2a1v h VAL 10 Cb 1.23 0.06 -0.08 0.00 -1.52 0.00 0.00 31.29 30.98 2a1v h VAL 10 CO 0.66 0.20 0.58 0.44 0.02 0.00 0.00 177.57 179.47 2a1v h ASP 11 N 1.07 0.84 -0.76 0.57 5.19 -1.98 0.85 116.42 122.19 2a1v h ASP 11 Ca 0.29 0.05 0.01 0.00 -0.62 0.00 0.00 57.03 56.76 2a1v h ASP 11 Cb -0.11 -0.12 -0.04 0.00 0.18 0.00 0.00 39.33 39.24 2a1v h ASP 11 CO -0.06 0.46 0.50 0.44 -3.12 0.00 0.00 179.24 177.46 2a1v h ASP 12 N 0.93 0.86 -0.15 6.45 3.32 -1.70 -1.35 116.42 124.77 2a1v h ASP 12 Ca 0.46 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.38 2a1v h ASP 12 Cb 0.43 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.78 2a1v h ASP 12 CO -0.26 0.61 -0.36 -0.07 -1.72 0.00 0.00 179.24 177.45 2a1v h LEU 13 N 1.01 0.58 -0.64 1.55 3.38 -0.86 -2.88 115.31 117.44 2a1v h LEU 13 Ca 0.29 -0.57 0.09 0.00 0.09 0.00 0.00 57.88 57.78 2a1v h LEU 13 Cb -0.08 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.43 2a1v h LEU 13 CO -0.07 1.04 0.28 0.03 0.09 0.00 0.00 178.44 179.81 2a1v h ARG 14 N 0.14 0.48 -0.25 1.13 3.08 -0.82 -1.02 114.38 117.12 2a1v h ARG 14 Ca -0.00 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.04 2a1v h ARG 14 Cb 0.96 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 2a1v h ARG 14 CO 0.08 0.32 0.17 0.66 -1.07 0.00 0.00 179.97 180.13 2a1v h SER 15 N 0.50 0.22 0.04 7.04 4.64 -1.07 0.22 113.55 125.14 2a1v h SER 15 Ca 0.32 -0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.54 2a1v h SER 15 Cb 0.36 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2a1v h SER 15 CO -0.28 0.16 -0.45 0.58 -0.87 0.00 0.00 176.83 175.97 2a1v h VAL 16 N 0.26 1.57 0.00 0.95 2.07 -1.23 -3.38 116.25 116.50 2a1v h VAL 16 Ca 0.10 -2.38 -0.09 0.00 0.82 0.00 0.00 66.70 65.14 2a1v h VAL 16 Cb 0.09 3.17 -0.01 0.00 -1.52 0.00 0.00 31.29 33.01 2a1v h VAL 16 CO -0.02 0.61 -0.45 0.00 0.02 0.00 0.00 177.57 177.73 2a1v h ASP 18 N 0.00 0.00 0.63 0.00 3.32 -0.74 -2.17 116.42 117.46 2a1v h ASP 18 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2a1v h ASP 18 Cb 0.89 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.44 2a1v h ASP 18 CO 0.06 0.04 -0.24 -0.62 -1.72 0.00 0.00 179.24 176.76 2a1v n GLU 19 N -4.07 0.17 -3.28 3.56 1.02 -1.02 -4.88 120.64 112.15 2a1v n GLU 19 Ca -0.03 -0.07 -0.38 0.00 -0.02 0.00 0.00 57.16 56.66 2a1v n GLU 19 Cb 0.12 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 29.98 2a1v n GLU 19 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2a1v s LEU 20 N -2.87 4.22 0.30 -4.62 1.43 -0.82 -5.02 118.68 111.31 2a1v s LEU 20 Ca 0.16 0.77 -0.30 0.00 -1.03 0.00 0.00 54.13 53.74 2a1v s LEU 20 Cb 0.19 -2.71 -0.11 0.00 0.03 0.00 0.00 46.19 43.58 2a1v s LEU 20 CO 0.59 -0.08 1.58 -2.84 0.23 0.00 0.00 176.35 175.83 2a1v s PRO 21 N 1.05 4.12 -1.48 1.29 0.02 -1.26 -2.96 135.00 135.78 2a1v s PRO 21 Ca 0.26 2.58 -0.07 0.00 0.02 0.00 0.00 61.00 63.78 2a1v s PRO 21 Cb -0.15 -3.02 0.02 0.00 0.02 0.00 0.00 34.50 31.37 2a1v s PRO 21 CO 0.10 -0.62 0.73 0.72 -0.33 0.00 0.00 177.00 177.61 2a1v n HIS 22 N 1.99 -2.15 -3.62 6.54 8.25 -1.26 -4.79 115.22 120.17 2a1v n HIS 22 Ca 0.07 0.64 -0.32 0.00 -0.26 0.00 0.00 57.72 57.86 2a1v n HIS 22 Cb 0.38 -4.32 -0.05 0.00 1.12 0.00 0.00 29.99 27.12 2a1v n HIS 22 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2a1v s SER 23 N -2.88 6.53 -0.11 0.41 0.15 -1.16 -1.82 113.70 114.83 2a1v s SER 23 Ca 0.41 0.66 -0.07 0.00 0.70 0.00 0.00 55.95 57.64 2a1v s SER 23 Cb -0.19 -2.12 0.04 0.00 -1.71 0.00 0.00 66.02 62.04 2a1v s SER 23 CO 0.50 0.04 0.27 -0.76 1.20 0.00 0.00 173.24 174.49 2a1v s LEU 24 N -2.61 0.65 -0.08 3.45 1.43 -0.01 -4.98 118.68 116.53 2a1v s LEU 24 Ca 0.41 0.56 -0.12 0.00 -1.03 0.00 0.00 54.13 53.95 2a1v s LEU 24 Cb -0.12 0.86 -0.05 0.00 0.03 0.00 0.00 46.19 46.91 2a1v s LEU 24 CO 0.23 -0.13 0.29 -1.61 0.23 0.00 0.00 176.35 175.36 2a1v s GLU 25 N 0.75 3.81 0.20 1.70 2.02 -1.26 -1.19 118.70 124.72 2a1v s GLU 25 Ca -0.05 0.15 -0.11 0.00 0.02 0.00 0.00 54.97 54.98 2a1v s GLU 25 Cb -0.06 -3.25 -0.00 0.00 0.10 0.00 0.00 34.13 30.92 2a1v s GLU 25 CO -0.05 0.64 0.38 0.95 0.02 0.00 0.00 175.26 177.20 2a1v s THR 26 N -0.76 0.03 -0.58 3.63 -4.23 -0.62 -5.00 115.64 108.11 2a1v s THR 26 Ca 0.19 -1.32 0.05 0.00 -1.18 0.00 0.00 61.69 59.44 2a1v s THR 26 Cb -0.14 -1.94 0.20 0.00 1.34 0.00 0.00 72.50 71.96 2a1v s THR 26 CO 0.08 -0.16 0.54 0.49 -0.54 0.00 0.00 174.62 175.03 2a1v n PHE 27 N -0.29 1.97 1.48 3.99 3.72 -1.26 -0.51 117.46 126.56 2a1v n PHE 27 Ca -0.06 -3.96 0.14 0.00 -0.05 0.00 0.00 57.45 53.53 2a1v n PHE 27 Cb 0.63 -0.38 0.76 0.00 -0.94 0.00 0.00 39.48 39.55 2a1v n PHE 27 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2a1v n PRO 28 N 1.76 0.53 -2.69 -1.08 -0.04 -1.26 -4.80 135.00 127.42 2a1v n PRO 28 Ca 0.25 0.01 -0.19 0.00 -0.04 0.00 0.00 63.50 63.53 2a1v n PRO 28 Cb 0.42 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.46 2a1v n PRO 28 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2a1v n PHE 29 N -1.22 -2.58 0.59 0.54 3.72 -1.26 -5.03 117.46 112.21 2a1v n PHE 29 Ca 0.16 -1.85 0.12 0.00 -0.05 0.00 0.00 57.45 55.83 2a1v n PHE 29 Cb 0.20 -0.58 0.22 0.00 -0.94 0.00 0.00 39.48 38.38 2a1v n PHE 29 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2a1v n ASP 30 N -2.58 0.72 -1.72 4.37 8.00 -1.26 -4.94 116.55 119.13 2a1v n ASP 30 Ca 0.15 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.85 2a1v n ASP 30 Cb 0.56 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 2a1v n ASP 30 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2a1v n ASP 31 N -2.13 0.00 -1.35 -2.24 5.68 -1.26 -4.99 116.55 110.26 2a1v n ASP 31 Ca 0.04 -0.69 -0.05 0.00 -0.50 0.00 0.00 54.79 53.59 2a1v n ASP 31 Cb 0.44 0.00 0.12 0.00 -1.14 0.00 0.00 41.12 40.53 2a1v n ASP 31 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2a1v n GLU 32 N -0.69 2.01 -2.23 0.11 -0.58 -1.26 -4.87 120.64 113.12 2a1v n GLU 32 Ca 0.00 -1.31 -0.41 0.00 -0.42 0.00 0.00 57.16 55.02 2a1v n GLU 32 Cb 0.00 -1.64 -0.03 0.00 -0.57 0.00 0.00 31.44 29.20 2a1v n GLU 32 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2a1v s THR 33 N -1.55 3.60 -0.01 2.62 2.01 -1.26 -1.89 115.64 119.16 2a1v s THR 33 Ca 0.24 0.48 -0.30 0.00 0.31 0.00 0.00 61.69 62.42 2a1v s THR 33 Cb 0.19 -4.19 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 2a1v s THR 33 CO 0.06 -1.02 1.26 -0.22 -0.69 0.00 0.00 174.62 174.01 2a1v s LEU 34 N 7.09 4.31 -0.13 4.42 2.96 -0.02 -4.35 118.68 132.97 2a1v s LEU 34 Ca 0.60 1.96 0.03 0.00 -0.22 0.00 0.00 54.13 56.50 2a1v s LEU 34 Cb -0.13 -3.56 0.01 0.00 0.50 0.00 0.00 46.19 43.01 2a1v s LEU 34 CO 0.24 -0.60 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.77 2a1v s VAL 35 N 1.97 1.95 -0.23 1.68 1.01 0.34 -1.25 120.40 125.87 2a1v s VAL 35 Ca 0.59 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 61.53 2a1v s VAL 35 Cb -0.28 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.32 2a1v s VAL 35 CO 0.25 0.53 0.20 -0.36 0.00 0.00 0.00 175.10 175.72 2a1v s PHE 36 N 0.76 3.33 0.13 5.22 0.40 -0.36 -1.59 117.98 125.87 2a1v s PHE 36 Ca -0.09 0.30 0.08 0.00 -0.60 0.00 0.00 56.93 56.62 2a1v s PHE 36 Cb -0.16 -2.31 -0.04 0.00 0.51 0.00 0.00 43.02 41.03 2a1v s PHE 36 CO -0.00 0.06 -0.19 0.15 0.70 0.00 0.00 175.22 175.94 2a1v s LYS 37 N 1.07 1.16 -0.02 0.44 1.02 -0.33 -0.87 119.74 122.20 2a1v s LYS 37 Ca 0.10 -1.26 0.06 0.00 0.02 0.00 0.00 55.97 54.89 2a1v s LYS 37 Cb -0.14 -1.29 -0.02 0.00 -0.52 0.00 0.00 37.83 35.87 2a1v s LYS 37 CO 0.05 0.28 -0.22 0.54 -0.92 0.00 0.00 175.35 175.08 2a1v s VAL 38 N -1.61 1.73 -4.44 3.17 0.11 0.09 -0.83 120.40 118.62 2a1v s VAL 38 Ca 0.10 -0.93 0.00 0.00 -2.93 0.00 0.00 61.98 58.22 2a1v s VAL 38 Cb -0.08 -1.44 0.00 0.00 -1.53 0.00 0.00 36.38 33.33 2a1v s VAL 38 CO 0.05 0.49 0.00 0.61 -3.33 0.00 0.00 175.10 172.92 2a1v n GLY 39 N 2.62 0.80 3.81 6.54 0.00 -0.75 -0.36 105.19 117.85 2a1v n GLY 39 Ca -0.16 -1.78 -0.31 0.00 0.00 0.00 0.00 46.02 43.77 2a1v n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a1v s TYR 40 N -3.13 3.02 0.52 1.61 1.51 -0.56 -4.85 117.35 115.48 2a1v s TYR 40 Ca 0.00 1.45 0.17 0.00 -1.01 0.00 0.00 57.07 57.68 2a1v s TYR 40 Cb 0.00 -2.92 1.29 0.00 -0.11 0.00 0.00 41.96 40.22 2a1v s TYR 40 CO 0.00 -1.30 2.15 -0.07 -1.11 0.00 0.00 175.55 175.22 2a1v h LEU 41 N -0.64 0.00 -0.94 -1.29 3.38 -1.98 -2.36 115.31 111.49 2a1v h LEU 41 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2a1v h LEU 41 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2a1v h LEU 41 CO 0.56 0.00 -0.16 -1.54 0.09 0.00 0.00 178.44 177.40 2a1v n SER 42 N -4.51 1.62 -3.22 -0.43 3.41 -1.26 -4.71 113.62 104.53 2a1v n SER 42 Ca -0.03 -1.36 -0.00 0.00 -0.26 0.00 0.00 58.87 57.22 2a1v n SER 42 Cb 0.09 0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 64.14 2a1v n SER 42 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2a1v s LYS 43 N -2.24 0.73 0.02 4.33 2.20 -0.89 -5.15 119.74 118.73 2a1v s LYS 43 Ca 0.29 -0.13 0.06 0.00 -0.36 0.00 0.00 55.97 55.83 2a1v s LYS 43 Cb 0.20 0.04 -0.02 0.00 -1.51 0.00 0.00 37.83 36.53 2a1v s LYS 43 CO 0.43 -1.15 -0.18 -1.54 -0.36 0.00 0.00 175.35 172.55 2a1v s SER 44 N 2.05 2.11 -0.06 1.43 1.04 -1.20 -1.50 113.70 117.58 2a1v s SER 44 Ca 0.15 -0.42 0.05 0.00 0.48 0.00 0.00 55.95 56.21 2a1v s SER 44 Cb -0.07 -0.19 -0.01 0.00 0.10 0.00 0.00 66.02 65.85 2a1v s SER 44 CO -0.12 0.15 -0.22 -0.13 0.98 0.00 0.00 173.24 173.91 2a1v s ARG 45 N -0.85 2.57 0.28 4.02 3.00 0.52 -4.83 118.95 123.66 2a1v s ARG 45 Ca 0.06 -0.85 -0.29 0.00 0.00 0.00 0.00 55.73 54.64 2a1v s ARG 45 Cb -0.08 -2.23 -0.10 0.00 0.00 0.00 0.00 34.95 32.54 2a1v s ARG 45 CO 0.01 0.43 1.36 0.00 0.00 0.00 0.00 175.30 177.09 2a1v s MET 46 N -0.26 4.32 0.00 3.54 0.23 -1.26 -0.73 119.30 125.14 2a1v s MET 46 Ca -0.00 2.23 0.00 0.00 -1.03 0.00 0.00 55.69 56.89 2a1v s MET 46 Cb -0.13 -3.11 0.00 0.00 -1.53 0.00 0.00 34.83 30.07 2a1v s MET 46 CO 0.03 -0.29 0.00 2.48 -2.03 0.00 0.00 175.02 175.20 2a1v n TYR 47 N 1.70 0.00 -3.64 3.16 0.18 -0.05 -4.93 117.16 113.58 2a1v n TYR 47 Ca 0.04 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.66 2a1v n TYR 47 Cb 0.41 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.30 2a1v n TYR 47 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2a1v s ALA 48 N -0.58 -1.35 -0.01 -3.48 0.00 -1.18 -4.06 121.76 111.10 2a1v s ALA 48 Ca 0.00 1.06 -0.07 0.00 0.00 0.00 0.00 51.96 52.95 2a1v s ALA 48 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.92 2a1v s ALA 48 CO 0.00 -0.31 0.15 -0.51 0.00 0.00 0.00 175.76 175.09 2a1v s LEU 49 N -0.86 1.51 -0.04 0.00 1.02 -0.53 -1.22 118.68 118.55 2a1v s LEU 49 Ca -0.09 -0.10 -0.20 0.00 0.02 0.00 0.00 54.13 53.76 2a1v s LEU 49 Cb -0.03 0.66 0.04 0.00 0.02 0.00 0.00 46.19 46.88 2a1v s LEU 49 CO 0.06 -0.31 0.44 0.28 0.02 0.00 0.00 176.35 176.83 2a1v s THR 50 N -1.10 0.03 -0.45 5.49 -1.32 -0.38 -1.03 115.64 116.89 2a1v s THR 50 Ca -0.12 -0.28 -0.18 0.00 -1.21 0.00 0.00 61.69 59.90 2a1v s THR 50 Cb -0.06 -0.73 0.03 0.00 -1.51 0.00 0.00 72.50 70.23 2a1v s THR 50 CO 0.01 -0.15 0.52 -0.62 -2.21 0.00 0.00 174.62 172.17 2a1v s ASP 51 N -1.11 6.23 0.04 8.08 -1.08 -1.26 -0.84 116.67 126.72 2a1v s ASP 51 Ca -0.11 -0.70 0.21 0.00 -0.52 0.00 0.00 52.55 51.42 2a1v s ASP 51 Cb -0.03 -2.26 0.87 0.00 -1.46 0.00 0.00 42.92 40.04 2a1v s ASP 51 CO 0.06 -0.70 1.66 2.30 0.52 0.00 0.00 175.17 179.01 2a1v n ILE 52 N 5.55 0.63 1.42 4.11 -5.35 -0.79 -2.33 119.36 122.60 2a1v n ILE 52 Ca -0.06 0.13 0.14 0.00 -0.27 0.00 0.00 62.75 62.69 2a1v n ILE 52 Cb 0.47 -0.83 0.59 0.00 -1.74 0.00 0.00 39.64 38.13 2a1v n ILE 52 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 2a1v n THR 53 N -1.62 0.00 -3.57 7.28 5.66 -1.26 -4.88 114.28 115.89 2a1v n THR 53 Ca 0.05 -0.08 -0.37 0.00 -3.05 0.00 0.00 64.05 60.60 2a1v n THR 53 Cb 0.25 -0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.96 2a1v n THR 53 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2a1v s GLN 54 N -2.42 4.06 -0.18 1.09 -0.21 -0.99 -5.08 119.66 115.93 2a1v s GLN 54 Ca 0.30 0.16 0.00 0.00 0.02 0.00 0.00 55.36 55.84 2a1v s GLN 54 Cb 0.20 -3.34 0.04 0.00 1.00 0.00 0.00 33.01 30.91 2a1v s GLN 54 CO 0.47 0.43 -0.08 0.34 -2.12 0.00 0.00 175.29 174.32 2a1v s ASP 55 N -0.13 3.07 0.58 5.90 2.15 -1.26 -2.62 116.67 124.36 2a1v s ASP 55 Ca 0.19 -0.75 -0.16 0.00 0.43 0.00 0.00 52.55 52.25 2a1v s ASP 55 Cb -0.14 -1.07 -0.04 0.00 -0.30 0.00 0.00 42.92 41.37 2a1v s ASP 55 CO 0.07 -0.16 1.06 -2.16 -0.17 0.00 0.00 175.17 173.81 2a1v s PRO 56 N 1.52 3.35 0.73 4.34 0.04 -1.26 -5.13 135.00 138.59 2a1v s PRO 56 Ca 0.00 1.24 -0.15 0.00 0.04 0.00 0.00 61.00 62.13 2a1v s PRO 56 Cb -0.15 -2.03 0.04 0.00 0.04 0.00 0.00 34.50 32.39 2a1v s PRO 56 CO -0.08 -0.79 1.23 -0.51 0.04 0.00 0.00 177.00 176.89 2a1v s LEU 57 N -4.38 3.35 -0.14 -3.56 1.43 -1.08 -4.81 118.68 109.49 2a1v s LEU 57 Ca 0.64 2.43 0.02 0.00 -1.03 0.00 0.00 54.13 56.20 2a1v s LEU 57 Cb -0.17 -4.60 0.01 0.00 0.03 0.00 0.00 46.19 41.47 2a1v s LEU 57 CO 0.35 -2.29 -0.22 -0.13 0.23 0.00 0.00 176.35 174.29 2a1v s ARG 58 N -3.82 2.99 -0.27 1.70 0.52 -1.26 -0.47 118.95 118.34 2a1v s ARG 58 Ca 0.76 -0.84 -0.06 0.00 -0.52 0.00 0.00 55.73 55.06 2a1v s ARG 58 Cb -0.31 -2.42 -0.00 0.00 0.52 0.00 0.00 34.95 32.73 2a1v s ARG 58 CO 0.45 -0.02 0.06 -1.17 0.02 0.00 0.00 175.30 174.63 2a1v s LEU 59 N 0.83 3.58 -0.13 2.53 2.96 0.14 -4.06 118.68 124.52 2a1v s LEU 59 Ca -0.07 -0.52 -0.11 0.00 -0.22 0.00 0.00 54.13 53.22 2a1v s LEU 59 Cb -0.15 -1.87 -0.05 0.00 0.50 0.00 0.00 46.19 44.62 2a1v s LEU 59 CO -0.02 -0.12 0.21 -0.44 -1.32 0.00 0.00 176.35 174.66 2a1v s SER 60 N 1.53 6.41 0.08 3.68 0.01 -0.20 0.54 113.70 125.75 2a1v s SER 60 Ca 0.04 0.49 -0.11 0.00 1.31 0.00 0.00 55.95 57.67 2a1v s SER 60 Cb -0.16 -2.13 0.01 0.00 0.21 0.00 0.00 66.02 63.95 2a1v s SER 60 CO 0.02 0.26 0.26 -0.76 0.41 0.00 0.00 173.24 173.43 2a1v s LEU 61 N -0.29 1.08 -0.01 2.44 1.02 -0.51 -1.45 118.68 120.96 2a1v s LEU 61 Ca 0.15 -0.44 -0.10 0.00 0.02 0.00 0.00 54.13 53.76 2a1v s LEU 61 Cb -0.13 1.26 -0.05 0.00 0.02 0.00 0.00 46.19 47.30 2a1v s LEU 61 CO 0.04 -0.71 0.31 -0.54 0.02 0.00 0.00 176.35 175.47 2a1v s LYS 62 N -3.39 3.69 0.02 1.70 1.02 -1.26 -1.46 119.74 120.07 2a1v s LYS 62 Ca 0.01 0.12 -0.12 0.00 0.02 0.00 0.00 55.97 56.00 2a1v s LYS 62 Cb 0.02 -3.13 0.01 0.00 -0.52 0.00 0.00 37.83 34.22 2a1v s LYS 62 CO -0.09 0.67 0.25 0.54 -0.92 0.00 0.00 175.35 175.81 2a1v s VAL 63 N -1.20 0.08 0.27 3.17 0.11 0.06 -3.91 120.40 118.98 2a1v s VAL 63 Ca 0.25 -0.69 -0.31 0.00 -2.93 0.00 0.00 61.98 58.31 2a1v s VAL 63 Cb -0.14 -0.78 -0.12 0.00 -1.53 0.00 0.00 36.38 33.81 2a1v s VAL 63 CO 0.13 -0.38 1.61 -0.67 -3.33 0.00 0.00 175.10 172.47 2a1v n ASP 64 N 0.91 3.80 -0.32 3.54 2.03 -1.26 -4.70 116.55 120.54 2a1v n ASP 64 Ca -0.20 1.13 0.14 0.00 0.52 0.00 0.00 54.79 56.38 2a1v n ASP 64 Cb 0.58 -1.57 0.33 0.00 -0.72 0.00 0.00 41.12 39.73 2a1v n ASP 64 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2a1v h PRO 65 N 5.20 0.47 -0.39 -0.67 0.11 -1.91 -0.55 132.00 134.26 2a1v h PRO 65 Ca -0.46 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 2a1v h PRO 65 Cb 1.22 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 2a1v h PRO 65 CO 0.83 0.31 0.13 1.49 -0.21 0.00 0.00 178.00 180.55 2a1v h GLU 66 N 0.48 0.61 -0.34 1.05 4.81 -1.93 -1.85 114.58 117.42 2a1v h GLU 66 Ca 0.58 -0.13 -0.13 0.00 -0.13 0.00 0.00 59.36 59.56 2a1v h GLU 66 Cb 1.09 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 2a1v h GLU 66 CO -0.50 0.61 -0.31 -0.09 -0.73 0.00 0.00 179.01 177.99 2a1v h ARG 67 N 0.49 0.73 -0.68 1.92 2.43 -1.63 -1.95 114.38 115.69 2a1v h ARG 67 Ca 0.13 -0.34 0.04 0.00 -0.81 0.00 0.00 59.98 59.00 2a1v h ARG 67 Cb 0.25 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.74 2a1v h ARG 67 CO -0.01 0.95 0.41 0.78 -1.51 0.00 0.00 179.97 180.60 2a1v h GLY 68 N 0.96 0.99 0.84 2.80 0.00 -0.93 0.91 103.07 108.63 2a1v h GLY 68 Ca 0.07 -0.31 0.02 0.00 0.00 0.00 0.00 47.33 47.11 2a1v h GLY 68 CO 0.07 0.24 0.07 -2.09 0.00 0.00 0.00 176.54 174.83 2a1v h GLU 69 N 0.80 0.15 -0.03 4.80 4.57 -1.11 0.00 114.58 123.76 2a1v h GLU 69 Ca 0.28 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.48 2a1v h GLU 69 Cb 0.06 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.59 2a1v h GLU 69 CO -0.13 0.10 -0.11 0.93 -1.18 0.00 0.00 179.01 178.62 2a1v h GLU 70 N 0.16 -0.17 -0.85 1.92 5.08 -0.95 -1.97 114.58 117.80 2a1v h GLU 70 Ca 0.08 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.53 2a1v h GLU 70 Cb 0.05 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.28 2a1v h GLU 70 CO -0.09 -0.12 0.51 -0.07 -1.00 0.00 0.00 179.01 178.24 2a1v h LEU 71 N -0.18 0.77 -1.08 1.33 3.38 -0.63 0.18 115.31 119.08 2a1v h LEU 71 Ca 0.05 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2a1v h LEU 71 Cb 0.25 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2a1v h LEU 71 CO -0.14 0.47 -0.19 0.03 0.09 0.00 0.00 178.44 178.71 2a1v h ARG 72 N 0.89 0.00 0.15 1.13 3.08 -0.63 -1.40 114.38 117.61 2a1v h ARG 72 Ca 0.39 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 60.13 2a1v h ARG 72 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2a1v h ARG 72 CO -0.21 0.19 -1.48 0.37 -1.07 0.00 0.00 179.97 177.77 2a1v h GLN 73 N 0.00 0.31 0.00 0.04 5.75 -0.49 -3.09 115.11 117.63 2a1v h GLN 73 Ca -0.00 -0.53 -0.02 0.00 -0.15 0.00 0.00 58.65 57.94 2a1v h GLN 73 Cb 0.74 0.20 -0.00 0.00 1.07 0.00 0.00 27.48 29.49 2a1v h GLN 73 CO 0.02 1.21 -0.12 0.00 -2.65 0.00 0.00 178.83 177.29 2a1v h ALA 74 N 0.42 0.97 -1.63 3.38 0.00 -0.41 -3.38 119.26 118.62 2a1v h ALA 74 Ca -0.23 -0.11 -0.44 0.00 0.00 0.00 0.00 54.91 54.14 2a1v h ALA 74 Cb 2.04 -0.02 -0.35 0.00 0.00 0.00 0.00 17.79 19.45 2a1v h ALA 74 CO 0.19 0.15 -1.06 0.72 0.00 0.00 0.00 179.25 179.25 2a1v n HIS 75 N -3.19 -0.36 0.22 0.00 8.25 -0.55 -5.00 115.22 114.59 2a1v n HIS 75 Ca 0.02 -3.50 0.08 0.00 -0.26 0.00 0.00 57.72 54.05 2a1v n HIS 75 Cb 0.45 -0.05 0.53 0.00 1.12 0.00 0.00 29.99 32.05 2a1v n HIS 75 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2a1v h PRO 76 N 3.00 0.00 0.00 -0.41 0.13 -1.72 0.19 132.00 133.18 2a1v h PRO 76 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2a1v h PRO 76 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2a1v h PRO 76 CO 0.43 0.23 -0.02 1.04 -0.23 0.00 0.00 178.00 179.46 2a1v n GLN 77 N -3.87 0.23 0.00 0.86 3.00 -1.26 -4.32 117.38 112.03 2a1v n GLN 77 Ca -0.02 0.19 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 2a1v n GLN 77 Cb 0.32 -1.77 0.00 0.00 0.00 0.00 0.00 30.24 28.80 2a1v n GLN 77 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2a1v n SER 78 N -2.17 2.21 -3.91 1.08 7.64 -0.46 -4.98 113.62 113.03 2a1v n SER 78 Ca 0.06 -0.21 -0.27 0.00 1.01 0.00 0.00 58.87 59.46 2a1v n SER 78 Cb 0.42 0.86 -0.17 0.00 -1.01 0.00 0.00 64.21 64.31 2a1v n SER 78 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2a1v s ILE 79 N -1.30 1.07 0.31 0.44 1.01 -0.07 -0.96 121.20 121.70 2a1v s ILE 79 Ca 0.00 -0.40 0.10 0.00 0.00 0.00 0.00 60.65 60.36 2a1v s ILE 79 Cb 0.00 -1.13 -0.05 0.00 0.01 0.00 0.00 42.46 41.29 2a1v s ILE 79 CO 0.00 0.30 -0.09 0.00 0.00 0.00 0.00 174.94 175.15 2a1v s ALA 80 N 1.68 2.98 0.55 9.38 0.00 -0.35 -4.65 121.76 131.35 2a1v s ALA 80 Ca 0.04 -1.93 -0.21 0.00 0.00 0.00 0.00 51.96 49.86 2a1v s ALA 80 Cb -0.13 -0.29 -0.06 0.00 0.00 0.00 0.00 23.12 22.64 2a1v s ALA 80 CO -0.08 0.17 1.16 -2.30 0.00 0.00 0.00 175.76 174.71 2a1v n PRO 81 N -0.79 1.33 -1.68 0.00 -0.02 -1.26 -0.76 135.00 131.82 2a1v n PRO 81 Ca -0.05 0.50 -0.48 0.00 -2.02 0.00 0.00 63.50 61.45 2a1v n PRO 81 Cb 0.61 -2.35 -0.05 0.00 -0.02 0.00 0.00 33.50 31.70 2a1v n PRO 81 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a1v n GLY 82 N 1.02 1.37 3.64 -1.23 0.00 0.93 -4.26 105.19 106.66 2a1v n GLY 82 Ca 0.12 0.82 -0.43 0.00 0.00 0.00 0.00 46.02 46.53 2a1v n GLY 82 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2a1v s TYR 83 N 3.37 2.16 -1.39 1.61 5.04 -1.26 -2.18 117.35 124.70 2a1v s TYR 83 Ca 0.90 0.52 -0.01 0.00 -2.44 0.00 0.00 57.07 56.04 2a1v s TYR 83 Cb -0.70 -3.92 0.01 0.00 0.35 0.00 0.00 41.96 37.70 2a1v s TYR 83 CO 0.49 -2.99 0.11 0.72 -1.34 0.00 0.00 175.55 172.54 2a1v n HIS 84 N 7.96 -1.37 -4.37 4.97 8.25 -1.26 -4.98 115.22 124.43 2a1v n HIS 84 Ca 0.18 0.10 -0.19 0.00 -0.26 0.00 0.00 57.72 57.55 2a1v n HIS 84 Cb 0.45 -3.41 -0.10 0.00 1.12 0.00 0.00 29.99 28.05 2a1v n HIS 84 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2a1v s LEU 85 N -5.97 1.80 -0.40 2.41 1.43 -0.93 -5.08 118.68 111.94 2a1v s LEU 85 Ca 0.07 -1.44 -0.28 0.00 -1.03 0.00 0.00 54.13 51.45 2a1v s LEU 85 Cb -0.03 -0.05 -0.03 0.00 0.03 0.00 0.00 46.19 46.11 2a1v s LEU 85 CO 0.09 -0.75 1.94 0.21 0.23 0.00 0.00 176.35 178.07 2a1v s ASN 86 N -3.39 5.50 0.00 2.29 3.84 -1.26 -4.72 114.94 117.19 2a1v s ASN 86 Ca 0.36 1.12 0.25 0.00 0.21 0.00 0.00 52.86 54.79 2a1v s ASN 86 Cb 0.07 -2.52 1.12 0.00 -0.55 0.00 0.00 41.25 39.37 2a1v s ASN 86 CO 0.15 -2.05 1.80 0.29 -2.79 0.00 0.00 177.10 174.50 2a1v n LYS 87 N 8.73 0.12 0.19 0.43 5.02 -1.26 -0.94 118.16 130.45 2a1v n LYS 87 Ca 0.25 0.07 0.04 0.00 -2.02 0.00 0.00 58.31 56.65 2a1v n LYS 87 Cb 0.49 -1.50 0.38 0.00 -0.02 0.00 0.00 35.03 34.38 2a1v n LYS 87 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2a1v h LYS 88 N 0.00 0.00 0.00 1.97 1.57 -1.98 -3.39 116.57 114.73 2a1v h LYS 88 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2a1v h LYS 88 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2a1v h LYS 88 CO 0.00 0.37 -0.59 0.72 -0.57 0.00 0.00 179.45 179.38 2a1v n HIS 89 N -3.92 0.00 -4.91 -1.35 8.25 -0.37 -4.34 115.22 108.58 2a1v n HIS 89 Ca -0.02 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.12 2a1v n HIS 89 Cb 0.42 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.40 2a1v n HIS 89 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2a1v s TRP 90 N -1.33 2.69 0.30 4.41 0.52 -0.11 -0.76 118.94 124.65 2a1v s TRP 90 Ca 0.00 -0.25 0.10 0.00 0.02 0.00 0.00 56.10 55.97 2a1v s TRP 90 Cb 0.00 -1.65 -0.06 0.00 -1.15 0.00 0.00 33.47 30.61 2a1v s TRP 90 CO 0.00 0.11 -0.15 0.14 0.02 0.00 0.00 176.95 177.07 2a1v s VAL 91 N -0.56 2.30 -0.13 4.03 -7.23 -0.53 -0.05 120.40 118.22 2a1v s VAL 91 Ca 0.08 -2.30 0.01 0.00 -1.81 0.00 0.00 61.98 57.96 2a1v s VAL 91 Cb -0.11 -2.42 0.02 0.00 0.56 0.00 0.00 36.38 34.42 2a1v s VAL 91 CO 0.01 -0.33 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.42 2a1v s THR 92 N -2.61 1.62 -0.17 5.32 2.01 0.06 -1.43 115.64 120.44 2a1v s THR 92 Ca 0.30 -0.69 -0.04 0.00 0.31 0.00 0.00 61.69 61.58 2a1v s THR 92 Cb -0.01 -1.49 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 2a1v s THR 92 CO 0.15 0.47 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.82 2a1v s VAL 93 N 1.20 3.77 -0.13 3.82 1.01 0.19 -1.21 120.40 129.06 2a1v s VAL 93 Ca -0.01 -0.39 -0.29 0.00 0.00 0.00 0.00 61.98 61.29 2a1v s VAL 93 Cb -0.14 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 2a1v s VAL 93 CO -0.06 0.47 1.21 -0.89 0.00 0.00 0.00 175.10 175.83 2a1v s THR 94 N 0.68 4.33 -1.29 3.92 2.01 -0.13 0.26 115.64 125.42 2a1v s THR 94 Ca -0.02 1.62 -0.09 0.00 0.31 0.00 0.00 61.69 63.51 2a1v s THR 94 Cb -0.14 -4.05 0.16 0.00 0.01 0.00 0.00 72.50 68.48 2a1v s THR 94 CO 0.02 -0.09 1.96 0.18 -0.69 0.00 0.00 174.62 176.01 2a1v n LEU 95 N 6.01 6.87 -0.31 4.42 4.77 0.38 -4.53 117.00 134.61 2a1v n LEU 95 Ca 0.12 -4.67 0.03 0.00 -0.03 0.00 0.00 56.01 51.46 2a1v n LEU 95 Cb 0.46 -1.46 0.08 0.00 -2.33 0.00 0.00 43.42 40.16 2a1v n LEU 95 CO 0.55 1.48 0.56 -0.90 -1.33 0.00 0.00 177.39 177.75 2a1v n ASP 96 N 3.59 2.47 0.00 -1.43 5.68 -1.26 -4.35 116.55 121.25 2a1v n ASP 96 Ca 0.43 -2.06 0.00 0.00 -0.50 0.00 0.00 54.79 52.66 2a1v n ASP 96 Cb 0.35 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 2a1v n ASP 96 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2a1v n GLY 97 N -0.08 0.72 0.14 6.12 0.00 -1.26 -4.92 105.19 105.91 2a1v n GLY 97 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 2a1v n GLY 97 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2a1v h THR 98 N 0.00 0.00 -3.34 2.61 1.35 -1.94 -3.43 112.91 108.17 2a1v h THR 98 Ca 0.00 -0.87 -0.65 0.00 -0.55 0.00 0.00 66.41 64.34 2a1v h THR 98 Cb 0.00 1.60 -0.23 0.00 -1.73 0.00 0.00 68.15 67.79 2a1v h THR 98 CO 0.00 0.00 -0.70 -0.69 -0.25 0.00 0.00 175.52 173.88 2a1v s VAL 99 N -3.26 3.61 0.19 6.82 1.01 -1.26 -5.07 120.40 122.44 2a1v s VAL 99 Ca 0.04 -0.46 -0.33 0.00 0.00 0.00 0.00 61.98 61.23 2a1v s VAL 99 Cb 0.09 -2.56 -0.15 0.00 0.00 0.00 0.00 36.38 33.77 2a1v s VAL 99 CO 0.72 0.51 1.36 -2.65 0.00 0.00 0.00 175.10 175.04 2a1v n PRO 100 N 3.42 1.70 -0.33 2.72 -0.02 -1.26 -4.81 135.00 136.42 2a1v n PRO 100 Ca -0.18 0.61 0.10 0.00 -2.02 0.00 0.00 63.50 62.01 2a1v n PRO 100 Cb 0.53 -2.24 0.30 0.00 -0.02 0.00 0.00 33.50 32.07 2a1v n PRO 100 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2a1v h ALA 101 N 4.31 1.65 0.16 3.55 0.00 -1.88 -1.40 119.26 125.65 2a1v h ALA 101 Ca -0.45 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2a1v h ALA 101 Cb 1.30 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2a1v h ALA 101 CO 0.77 0.08 -0.08 1.05 0.00 0.00 0.00 179.25 181.06 2a1v h GLU 102 N 0.86 -0.21 -0.26 0.00 9.09 -1.89 -0.05 114.58 122.11 2a1v h GLU 102 Ca 0.50 0.01 0.03 0.00 0.05 0.00 0.00 59.36 59.95 2a1v h GLU 102 Cb 0.65 0.05 -0.03 0.00 -1.65 0.00 0.00 28.75 27.77 2a1v h GLU 102 CO -0.27 -0.10 0.10 1.25 0.05 0.00 0.00 179.01 180.03 2a1v h LEU 103 N -0.27 0.12 -0.62 3.06 5.85 -1.76 -2.16 115.31 119.53 2a1v h LEU 103 Ca -0.02 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.80 2a1v h LEU 103 Cb 0.21 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.19 2a1v h LEU 103 CO 0.04 0.10 0.30 -0.07 -0.34 0.00 0.00 178.44 178.46 2a1v h LEU 104 N 0.22 0.39 -0.04 2.25 3.38 -1.06 0.53 115.31 120.98 2a1v h LEU 104 Ca 0.12 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.15 2a1v h LEU 104 Cb 0.08 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2a1v h LEU 104 CO -0.11 0.24 -0.05 1.23 0.09 0.00 0.00 178.44 179.84 2a1v h GLY 105 N 0.54 -0.02 1.45 0.83 0.00 -0.80 -1.48 103.07 103.59 2a1v h GLY 105 Ca 0.29 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.67 2a1v h GLY 105 CO -0.23 -0.06 0.27 -2.09 0.00 0.00 0.00 176.54 174.43 2a1v h GLU 106 N -0.07 0.72 -0.20 4.80 4.22 -1.11 -0.73 114.58 122.20 2a1v h GLU 106 Ca 0.03 -0.07 -0.14 0.00 0.08 0.00 0.00 59.36 59.26 2a1v h GLU 106 Cb 0.12 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2a1v h GLU 106 CO -0.08 0.54 -0.45 -0.07 -2.18 0.00 0.00 179.01 176.77 2a1v h LEU 107 N 0.72 0.55 -0.24 1.64 3.38 -0.57 0.28 115.31 121.07 2a1v h LEU 107 Ca 0.18 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 2a1v h LEU 107 Cb 0.04 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2a1v h LEU 107 CO -0.03 0.92 -0.13 0.25 0.09 0.00 0.00 178.44 179.54 2a1v h LEU 108 N 0.41 0.53 -0.93 1.67 5.85 -0.82 0.13 115.31 122.15 2a1v h LEU 108 Ca 0.03 -0.42 -0.06 0.00 0.84 0.00 0.00 57.88 58.26 2a1v h LEU 108 Cb 0.96 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 2a1v h LEU 108 CO 0.08 0.83 0.10 0.03 -0.34 0.00 0.00 178.44 179.15 2a1v h ARG 109 N 0.22 0.89 -0.66 1.25 3.08 -1.13 -2.81 114.38 115.22 2a1v h ARG 109 Ca 0.05 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 2a1v h ARG 109 Cb 0.64 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 2a1v h ARG 109 CO 0.04 0.82 0.22 0.78 -1.07 0.00 0.00 179.97 180.76 2a1v h GLY 110 N 1.00 1.07 0.80 0.04 0.00 -0.05 -1.74 103.07 104.18 2a1v h GLY 110 Ca 0.18 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 2a1v h GLY 110 CO 0.01 0.56 0.02 0.23 0.00 0.00 0.00 176.54 177.35 2a1v h SER 111 N 0.97 0.17 -0.41 0.19 0.87 -0.75 -0.23 113.55 114.36 2a1v h SER 111 Ca 0.22 -0.25 0.08 0.00 -1.23 0.00 0.00 61.79 60.61 2a1v h SER 111 Cb 0.25 -0.05 -0.09 0.00 -0.44 0.00 0.00 62.40 62.07 2a1v h SER 111 CO -0.01 0.38 -0.29 0.22 -0.53 0.00 0.00 176.83 176.60 2a1v h TYR 112 N -0.04 -0.80 -0.67 2.24 5.03 -1.42 -0.92 116.97 120.39 2a1v h TYR 112 Ca 0.03 0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.40 2a1v h TYR 112 Cb 0.28 0.41 -0.03 0.00 1.55 0.00 0.00 36.73 38.94 2a1v h TYR 112 CO 0.01 -0.36 0.43 -0.07 -1.32 0.00 0.00 178.16 176.85 2a1v h LEU 113 N -0.22 0.78 -0.37 2.82 3.38 -1.10 -1.52 115.31 119.08 2a1v h LEU 113 Ca 0.18 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2a1v h LEU 113 Cb 0.52 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2a1v h LEU 113 CO -0.53 0.58 0.21 0.25 0.09 0.00 0.00 178.44 179.04 2a1v h LEU 114 N 0.91 0.46 -0.53 1.67 6.46 -0.76 -0.39 115.31 123.13 2a1v h LEU 114 Ca 0.24 -0.08 -0.00 0.00 -0.12 0.00 0.00 57.88 57.92 2a1v h LEU 114 Cb -0.08 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 39.71 2a1v h LEU 114 CO -0.05 0.40 0.32 0.58 -0.62 0.00 0.00 178.44 179.08 2a1v h VAL 115 N 0.47 1.15 -0.68 1.05 2.07 -0.89 0.29 116.25 119.72 2a1v h VAL 115 Ca 0.13 -0.33 0.06 0.00 0.82 0.00 0.00 66.70 67.38 2a1v h VAL 115 Cb 0.04 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 2a1v h VAL 115 CO -0.02 0.16 0.45 0.71 0.02 0.00 0.00 177.57 178.88 2a1v h THR 116 N 0.71 1.02 -0.06 2.57 1.35 -0.90 0.91 112.91 118.51 2a1v h THR 116 Ca 0.19 -0.24 -0.09 0.00 -0.55 0.00 0.00 66.41 65.72 2a1v h THR 116 Cb -0.03 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 66.65 2a1v h THR 116 CO -0.04 0.13 -0.31 0.11 -0.25 0.00 0.00 175.52 175.16 2a1v h LYS 117 N 0.71 0.31 0.00 4.72 1.79 -0.42 -3.28 116.57 120.40 2a1v h LYS 117 Ca 0.29 -0.26 -0.23 0.00 -2.18 0.00 0.00 60.65 58.27 2a1v h LYS 117 Cb 0.24 0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 30.91 2a1v h LYS 117 CO -0.09 0.91 -1.19 -0.22 -1.08 0.00 0.00 179.45 177.78 2a1v h LYS 118 N -0.20 0.00 -0.01 3.15 1.63 -0.25 -3.38 116.57 117.51 2a1v h LYS 118 Ca -0.02 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 2a1v h LYS 118 Cb 0.97 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.60 2a1v h LYS 118 CO 0.06 0.86 -0.58 0.41 -3.45 0.00 0.00 179.45 176.76 2a1v n GLY 119 N 1.40 -0.21 3.00 5.01 0.00 0.30 -4.93 105.19 109.76 2a1v n GLY 119 Ca -0.05 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 2a1v n GLY 119 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2a1v s PHE 120 N -2.50 0.43 0.59 1.61 0.40 -1.24 -5.04 117.98 112.23 2a1v s PHE 120 Ca 0.15 -0.41 -0.05 0.00 -0.60 0.00 0.00 56.93 56.02 2a1v s PHE 120 Cb 0.17 -0.27 0.02 0.00 0.51 0.00 0.00 43.02 43.44 2a1v s PHE 120 CO 0.61 -0.10 0.88 0.95 0.70 0.00 0.00 175.22 178.26 2a1v s THR 121 N -1.11 3.46 0.27 0.64 -4.23 -1.26 -4.70 115.64 108.71 2a1v s THR 121 Ca -0.10 -0.13 -0.02 0.00 -1.18 0.00 0.00 61.69 60.27 2a1v s THR 121 Cb -0.08 -3.37 0.27 0.00 1.34 0.00 0.00 72.50 70.66 2a1v s THR 121 CO -0.00 -0.36 1.67 0.50 -0.54 0.00 0.00 174.62 175.89 2a1v h LYS 122 N -0.15 0.26 -0.51 3.99 3.64 -1.93 0.09 116.57 121.96 2a1v h LYS 122 Ca -0.45 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 58.87 2a1v h LYS 122 Cb 1.27 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 2a1v h LYS 122 CO 0.60 0.17 0.16 0.00 -2.27 0.00 0.00 179.45 178.11 2a1v h ALA 123 N 1.68 0.67 -0.21 5.00 0.00 -1.99 -2.09 119.26 122.31 2a1v h ALA 123 Ca 0.48 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.22 2a1v h ALA 123 Cb 0.88 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2a1v h ALA 123 CO -0.57 0.32 0.08 0.93 0.00 0.00 0.00 179.25 180.02 2a1v h GLU 124 N 0.69 0.18 -0.57 0.00 5.08 -1.77 -0.50 114.58 117.71 2a1v h GLU 124 Ca 0.16 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 2a1v h GLU 124 Cb 0.27 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 2a1v h GLU 124 CO -0.01 0.12 0.21 0.00 -1.00 0.00 0.00 179.01 178.33 2a1v h ARG 125 N 0.19 0.83 -0.24 2.33 3.08 -0.87 -0.70 114.38 119.01 2a1v h ARG 125 Ca 0.09 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 2a1v h ARG 125 Cb 0.05 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 2a1v h ARG 125 CO -0.09 0.70 0.05 -0.22 -1.07 0.00 0.00 179.97 179.34 2a1v h LYS 126 N 0.82 0.38 0.34 0.04 3.64 -1.18 0.50 116.57 121.10 2a1v h LYS 126 Ca 0.19 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 2a1v h LYS 126 Cb 0.19 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2a1v h LYS 126 CO -0.01 0.50 -0.16 1.49 -2.27 0.00 0.00 179.45 178.99 2a1v h GLU 127 N 0.20 -0.44 -0.02 1.90 4.81 -0.56 -2.89 114.58 117.58 2a1v h GLU 127 Ca 0.07 0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.19 2a1v h GLU 127 Cb 0.29 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 2a1v h GLU 127 CO 0.00 -0.17 -0.66 1.25 -0.73 0.00 0.00 179.01 178.70 2a1v h LEU 128 N -0.66 0.11 -1.07 1.64 5.85 -1.25 -3.48 115.31 116.45 2a1v h LEU 128 Ca -0.05 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.61 2a1v h LEU 128 Cb 0.47 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.47 2a1v h LEU 128 CO 0.08 0.74 0.00 0.61 -0.34 0.00 0.00 178.44 179.53 2a1v n GLY 129 N 0.39 0.63 3.71 3.75 0.00 0.34 -5.03 105.19 108.98 2a1v n GLY 129 Ca -0.02 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 2a1v n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a1v s LEU 130 N -1.07 4.31 0.49 0.99 1.43 0.15 -4.98 118.68 120.00 2a1v s LEU 130 Ca 0.00 1.25 -0.16 0.00 -1.03 0.00 0.00 54.13 54.19 2a1v s LEU 130 Cb 0.00 -3.16 -0.08 0.00 0.03 0.00 0.00 46.19 42.98 2a1v s LEU 130 CO 0.00 -0.16 0.95 -2.16 0.23 0.00 0.00 176.35 175.21 2a1v s PRO 131 N 0.96 3.96 0.26 1.29 0.04 -1.26 -4.69 135.00 135.56 2a1v s PRO 131 Ca 0.40 0.91 0.11 0.00 0.04 0.00 0.00 61.00 62.46 2a1v s PRO 131 Cb -0.18 -2.17 0.27 0.00 0.04 0.00 0.00 34.50 32.46 2a1v s PRO 131 CO 0.19 -0.21 1.55 -0.44 0.04 0.00 0.00 177.00 178.13 2a1v h ASP 132 N 1.09 0.00 -5.49 6.66 3.32 -1.98 -3.46 116.42 116.57 2a1v h ASP 132 Ca -0.47 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.39 2a1v h ASP 132 Cb 1.18 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.60 2a1v h ASP 132 CO 0.62 0.66 -0.47 -0.94 -1.72 0.00 0.00 179.24 177.38 2a1v s SER 133 N -6.74 0.08 -0.08 6.45 1.04 -1.26 -5.10 113.70 108.08 2a1v s SER 133 Ca -0.00 -1.25 0.02 0.00 0.48 0.00 0.00 55.95 55.19 2a1v s SER 133 Cb 0.12 0.44 -0.02 0.00 0.10 0.00 0.00 66.02 66.65 2a1v s SER 133 CO 0.76 -0.93 -0.13 -0.76 0.98 0.00 0.00 173.24 173.17 2a1v s LEU 134 N -3.12 2.78 0.63 2.42 1.43 -1.26 -5.13 118.68 116.43 2a1v s LEU 134 Ca 0.34 -0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 53.21 2a1v s LEU 134 Cb 0.05 -1.59 0.07 0.00 0.03 0.00 0.00 46.19 44.74 2a1v s LEU 134 CO 0.11 0.28 0.88 -1.61 0.23 0.00 0.00 176.35 176.25 2a1v s GLU 135 N -0.35 2.22 -0.38 1.70 2.02 -1.26 -4.43 118.70 118.21 2a1v s GLU 135 Ca 0.04 -0.78 0.00 0.00 0.02 0.00 0.00 54.97 54.25 2a1v s GLU 135 Cb -0.12 -2.38 0.00 0.00 0.10 0.00 0.00 34.13 31.72 2a1v s GLU 135 CO 0.02 -1.03 0.00 0.41 0.02 0.00 0.00 175.26 174.68 2a1v n GLY 136 N -2.60 0.48 3.77 -1.39 0.00 -1.26 -5.04 105.19 99.15 2a1v n GLY 136 Ca 0.10 -0.82 -0.38 0.00 0.00 0.00 0.00 46.02 44.91 2a1v n GLY 136 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a1v s GLY 137 N -2.90 2.87 0.39 -0.02 0.00 -1.26 -5.03 107.32 101.37 2a1v s GLY 137 Ca 0.00 1.12 -0.18 0.00 0.00 0.00 0.00 44.72 45.66 2a1v s GLY 137 CO 0.00 1.64 0.85 -0.56 0.00 0.00 0.00 173.10 175.04 2a1v s SER 138 N -1.01 6.82 0.13 1.64 0.01 -1.26 -5.06 113.70 114.97 2a1v s SER 138 Ca 0.61 1.48 -0.04 0.00 1.31 0.00 0.00 55.95 59.31 2a1v s SER 138 Cb -0.34 -2.46 -0.05 0.00 0.21 0.00 0.00 66.02 63.38 2a1v s SER 138 CO 0.43 -0.32 0.34 -1.00 0.41 0.00 0.00 173.24 173.10 2a1v s HIS 139 N -2.15 3.48 0.00 2.43 3.76 -1.26 -5.24 115.29 116.32 2a1v s HIS 139 Ca 0.58 0.48 0.00 0.00 -0.15 0.00 0.00 55.06 55.97 2a1v s HIS 139 Cb -0.10 -1.95 0.00 0.00 1.11 0.00 0.00 32.58 31.65 2a1v s HIS 139 CO 0.17 0.47 0.40 0.72 -0.85 0.00 0.00 174.74 175.65