#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bqp s GLU 2 N 0.00 0.41 0.10 -2.82 2.02 -1.26 -5.17 118.70 111.98 1bqp s GLU 2 Ca 0.00 1.13 0.03 0.00 0.02 0.00 0.00 54.97 56.15 1bqp s GLU 2 Cb 0.00 0.44 -0.04 0.00 0.10 0.00 0.00 34.13 34.63 1bqp s GLU 2 CO 0.00 -0.23 -0.10 0.95 0.02 0.00 0.00 175.26 175.91 1bqp s THR 3 N 2.56 0.90 -0.01 3.63 -4.23 -1.26 -5.03 115.64 112.20 1bqp s THR 3 Ca -0.04 -1.66 -0.01 0.00 -1.18 0.00 0.00 61.69 58.80 1bqp s THR 3 Cb -0.11 -1.37 0.00 0.00 1.34 0.00 0.00 72.50 72.35 1bqp s THR 3 CO -0.15 -0.59 0.03 -0.89 -0.54 0.00 0.00 174.62 172.49 1bqp s THR 4 N -2.54 0.01 0.09 3.99 2.01 -1.26 -5.08 115.64 112.86 1bqp s THR 4 Ca 0.06 -0.09 -0.15 0.00 0.31 0.00 0.00 61.69 61.82 1bqp s THR 4 Cb -0.02 -0.09 0.03 0.00 0.01 0.00 0.00 72.50 72.43 1bqp s THR 4 CO -0.00 -0.05 0.35 -0.44 -0.69 0.00 0.00 174.62 173.79 1bqp s SER 5 N -0.13 -0.16 -0.11 3.53 0.01 -1.26 -5.10 113.70 110.48 1bqp s SER 5 Ca -0.02 -0.31 -0.30 0.00 1.31 0.00 0.00 55.95 56.63 1bqp s SER 5 Cb -0.01 0.43 0.12 0.00 0.21 0.00 0.00 66.02 66.76 1bqp s SER 5 CO 0.00 -0.77 0.96 0.72 0.41 0.00 0.00 173.24 174.57 1bqp s PHE 6 N -3.43 -0.35 -0.05 2.43 -0.71 -1.26 -5.16 117.98 109.44 1bqp s PHE 6 Ca 0.01 0.47 -0.02 0.00 -1.04 0.00 0.00 56.93 56.35 1bqp s PHE 6 Cb 0.02 0.48 0.04 0.00 -1.21 0.00 0.00 43.02 42.35 1bqp s PHE 6 CO -0.09 -0.41 0.11 -1.17 -1.34 0.00 0.00 175.22 172.32 1bqp s LEU 7 N -1.64 0.62 -0.29 -1.99 2.96 -1.26 -5.10 118.68 111.98 1bqp s LEU 7 Ca 0.01 0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.15 1bqp s LEU 7 Cb -0.01 0.19 0.08 0.00 0.50 0.00 0.00 46.19 46.95 1bqp s LEU 7 CO -0.02 -0.17 0.01 -0.63 -1.32 0.00 0.00 176.35 174.22 1bqp s ILE 8 N 1.44 1.65 -0.51 6.68 1.01 -1.26 -4.98 121.20 125.22 1bqp s ILE 8 Ca -0.06 -1.65 0.24 0.00 0.00 0.00 0.00 60.65 59.18 1bqp s ILE 8 Cb -0.12 -2.08 0.21 0.00 0.01 0.00 0.00 42.46 40.48 1bqp s ILE 8 CO -0.05 -0.40 1.50 0.71 0.00 0.00 0.00 174.94 176.70 1bqp h THR 9 N 6.61 0.00 -2.34 2.92 1.35 -1.99 -3.45 112.91 116.01 1bqp h THR 9 Ca -0.12 -0.77 -0.06 0.00 -0.55 0.00 0.00 66.41 64.91 1bqp h THR 9 Cb 1.04 1.60 -0.24 0.00 -1.73 0.00 0.00 68.15 68.83 1bqp h THR 9 CO 0.46 0.00 -0.12 -0.75 -0.25 0.00 0.00 175.52 174.86 1bqp s LYS 10 N -3.20 0.57 0.30 4.72 2.47 -1.26 -5.11 119.74 118.23 1bqp s LYS 10 Ca 0.06 0.95 -0.17 0.00 -1.56 0.00 0.00 55.97 55.25 1bqp s LYS 10 Cb 0.09 0.12 -0.09 0.00 -1.46 0.00 0.00 37.83 36.50 1bqp s LYS 10 CO 0.68 -0.14 0.75 -0.06 0.16 0.00 0.00 175.35 176.75 1bqp s PHE 11 N 1.21 3.47 0.31 4.03 0.08 -0.90 -4.91 117.98 121.26 1bqp s PHE 11 Ca -0.07 1.31 0.10 0.00 0.12 0.00 0.00 56.93 58.39 1bqp s PHE 11 Cb -0.06 -2.59 -0.05 0.00 -0.57 0.00 0.00 43.02 39.75 1bqp s PHE 11 CO -0.12 0.16 -0.06 -1.54 -0.10 0.00 0.00 175.22 173.57 1bqp s SER 12 N -2.05 4.03 0.47 1.36 1.04 -1.26 -0.15 113.70 117.15 1bqp s SER 12 Ca 0.51 -0.97 0.32 0.00 0.48 0.00 0.00 55.95 56.28 1bqp s SER 12 Cb -0.12 -0.50 1.37 0.00 0.10 0.00 0.00 66.02 66.87 1bqp s SER 12 CO 0.18 -0.13 1.94 -0.65 0.98 0.00 0.00 173.24 175.56 1bqp h PRO 13 N 1.96 0.00 -2.21 4.02 0.11 -1.75 -3.10 132.00 131.04 1bqp h PRO 13 Ca -0.42 0.00 -0.71 0.00 0.11 0.00 0.00 66.00 64.98 1bqp h PRO 13 Cb 1.25 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 32.02 1bqp h PRO 13 CO 0.65 0.00 0.25 -3.47 -0.21 0.00 0.00 178.00 175.22 1bqp n ASP 14 N -2.80 6.06 -4.26 -2.05 4.64 -1.26 -4.80 116.55 112.07 1bqp n ASP 14 Ca 0.00 -3.70 -0.44 0.00 -1.38 0.00 0.00 54.79 49.28 1bqp n ASP 14 Cb 0.24 -0.87 0.00 0.00 -1.04 0.00 0.00 41.12 39.45 1bqp n ASP 14 CO 0.00 0.00 0.00 1.67 -0.82 0.00 0.00 177.20 178.05 1bqp n GLN 15 N -0.19 3.52 0.00 -0.67 -0.06 -1.17 -4.86 117.38 113.95 1bqp n GLN 15 Ca 0.40 -3.86 0.05 0.00 -2.00 0.00 0.00 57.00 51.60 1bqp n GLN 15 Cb 0.33 -2.93 0.24 0.00 -4.06 0.00 0.00 30.24 23.83 1bqp n GLN 15 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1bqp n GLN 16 N 4.61 0.01 -0.39 3.69 6.02 -1.26 -2.42 117.38 127.65 1bqp n GLN 16 Ca 0.36 0.30 0.08 0.00 -0.01 0.00 0.00 57.00 57.73 1bqp n GLN 16 Cb 0.40 -1.50 0.26 0.00 1.02 0.00 0.00 30.24 30.42 1bqp n GLN 16 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1bqp n ASN 17 N -1.49 3.41 -4.30 1.08 6.94 -1.26 -4.87 115.26 114.77 1bqp n ASN 17 Ca 0.03 -2.18 -0.29 0.00 -0.02 0.00 0.00 54.58 52.12 1bqp n ASN 17 Cb 0.13 -0.44 -0.15 0.00 -2.36 0.00 0.00 39.78 36.96 1bqp n ASN 17 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1bqp s LEU 18 N -1.28 2.13 -0.21 -4.53 1.02 -1.02 -0.04 118.68 114.75 1bqp s LEU 18 Ca 0.38 -0.53 -0.07 0.00 0.02 0.00 0.00 54.13 53.94 1bqp s LEU 18 Cb 0.23 -1.21 -0.03 0.00 0.02 0.00 0.00 46.19 45.20 1bqp s LEU 18 CO 0.22 0.25 0.05 -0.63 0.02 0.00 0.00 176.35 176.26 1bqp s ILE 19 N -0.73 4.43 -0.07 -0.59 1.01 0.12 -4.82 121.20 120.55 1bqp s ILE 19 Ca 0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 60.65 60.56 1bqp s ILE 19 Cb -0.10 -3.03 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 1bqp s ILE 19 CO 0.01 0.40 0.11 -0.36 0.00 0.00 0.00 174.94 175.10 1bqp s PHE 20 N 1.02 3.44 0.06 3.97 0.40 -1.26 -0.31 117.98 125.30 1bqp s PHE 20 Ca 0.04 0.37 0.03 0.00 -0.60 0.00 0.00 56.93 56.76 1bqp s PHE 20 Cb -0.14 -1.85 -0.03 0.00 0.51 0.00 0.00 43.02 41.51 1bqp s PHE 20 CO 0.03 0.63 -0.10 -0.65 0.70 0.00 0.00 175.22 175.83 1bqp s GLN 21 N -1.31 0.67 6.36 0.44 -0.21 -0.23 -4.98 119.66 120.41 1bqp s GLN 21 Ca 0.18 -0.89 0.00 0.00 0.02 0.00 0.00 55.36 54.67 1bqp s GLN 21 Cb -0.12 -0.48 0.00 0.00 1.00 0.00 0.00 33.01 33.41 1bqp s GLN 21 CO 0.08 0.09 0.00 0.41 -2.12 0.00 0.00 175.29 173.75 1bqp n GLY 22 N 1.22 2.82 0.90 3.09 0.00 -1.26 -1.48 105.19 110.48 1bqp n GLY 22 Ca -0.21 -0.36 0.06 0.00 0.00 0.00 0.00 46.02 45.51 1bqp n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bqp n ASP 23 N 2.64 2.59 -4.77 1.61 9.92 -0.00 -4.90 116.55 123.64 1bqp n ASP 23 Ca 0.00 -2.16 -0.41 0.00 -0.53 0.00 0.00 54.79 51.70 1bqp n ASP 23 Cb 0.00 -0.37 -0.03 0.00 -0.64 0.00 0.00 41.12 40.08 1bqp n ASP 23 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1bqp s GLY 24 N -0.82 3.02 0.17 0.44 0.00 -0.87 -4.77 107.32 104.49 1bqp s GLY 24 Ca 0.28 1.17 -0.24 0.00 0.00 0.00 0.00 44.72 45.93 1bqp s GLY 24 CO 0.15 1.81 0.78 -2.52 0.00 0.00 0.00 173.10 173.33 1bqp s TYR 25 N -1.15 -0.28 0.06 1.90 -0.85 -0.69 -4.62 117.35 111.72 1bqp s TYR 25 Ca 0.48 -0.02 0.08 0.00 -0.52 0.00 0.00 57.07 57.08 1bqp s TYR 25 Cb -0.38 0.63 -0.03 0.00 0.38 0.00 0.00 41.96 42.55 1bqp s TYR 25 CO 0.50 -0.92 -0.18 0.95 -1.52 0.00 0.00 175.55 174.38 1bqp s THR 26 N -3.58 2.80 0.00 -3.49 -4.23 -1.26 -0.52 115.64 105.37 1bqp s THR 26 Ca 0.08 -1.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.32 1bqp s THR 26 Cb -0.03 -2.21 0.00 0.00 1.34 0.00 0.00 72.50 71.61 1bqp s THR 26 CO -0.02 0.27 0.00 0.35 -0.54 0.00 0.00 174.62 174.69 1bqp n THR 27 N 1.34 0.00 -2.84 3.99 -2.24 -0.36 -4.46 114.28 109.71 1bqp n THR 27 Ca -0.16 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.21 1bqp n THR 27 Cb 0.52 -0.09 -0.04 0.00 -2.10 0.00 0.00 70.33 68.63 1bqp n THR 27 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1bqp s LYS 28 N 1.47 4.51 0.00 -0.78 2.20 -1.26 -2.88 119.74 123.00 1bqp s LYS 28 Ca 0.00 1.21 0.00 0.00 -0.36 0.00 0.00 55.97 56.82 1bqp s LYS 28 Cb 0.00 -3.45 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 1bqp s LYS 28 CO 0.00 0.00 0.00 0.39 -0.36 0.00 0.00 175.35 175.38 1bqp n GLU 29 N 3.82 0.00 -4.40 4.03 4.71 0.79 -4.95 120.64 124.64 1bqp n GLU 29 Ca 0.03 0.00 -0.20 0.00 -0.01 0.00 0.00 57.16 56.98 1bqp n GLU 29 Cb 0.51 -0.10 -0.10 0.00 -1.01 0.00 0.00 31.44 30.74 1bqp n GLU 29 CO 0.00 0.00 0.00 -1.59 0.09 0.00 0.00 177.13 175.63 1bqp s LYS 30 N 0.00 1.48 -0.27 3.49 -2.85 -1.26 -2.13 119.74 118.21 1bqp s LYS 30 Ca 0.00 -1.72 -0.08 0.00 -1.00 0.00 0.00 55.97 53.18 1bqp s LYS 30 Cb 0.00 -1.19 -0.02 0.00 -2.06 0.00 0.00 37.83 34.56 1bqp s LYS 30 CO 0.00 0.11 0.09 -1.17 0.10 0.00 0.00 175.35 174.49 1bqp s LEU 31 N -3.40 3.68 -0.27 2.77 2.96 -1.26 -1.22 118.68 121.93 1bqp s LEU 31 Ca 0.27 -0.36 -0.14 0.00 -0.22 0.00 0.00 54.13 53.69 1bqp s LEU 31 Cb 0.01 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 1bqp s LEU 31 CO 0.10 -0.10 0.32 -0.89 -1.32 0.00 0.00 176.35 174.46 1bqp s THR 32 N 1.60 5.22 -0.15 3.68 2.01 0.33 -4.95 115.64 123.38 1bqp s THR 32 Ca 0.05 0.45 -0.09 0.00 0.31 0.00 0.00 61.69 62.41 1bqp s THR 32 Cb -0.16 -3.65 -0.24 0.00 0.01 0.00 0.00 72.50 68.46 1bqp s THR 32 CO 0.04 0.20 0.29 0.18 -0.69 0.00 0.00 174.62 174.64 1bqp n LEU 33 N 5.16 2.50 -3.74 4.42 7.99 -1.26 -1.71 117.00 130.35 1bqp n LEU 33 Ca -0.10 0.23 -0.13 0.00 -0.01 0.00 0.00 56.01 56.01 1bqp n LEU 33 Cb 0.51 -1.08 -0.08 0.00 -0.11 0.00 0.00 43.42 42.67 1bqp n LEU 33 CO 0.36 0.74 0.04 0.42 -1.51 0.00 0.00 177.39 177.45 1bqp s THR 34 N -2.52 0.07 0.60 -5.08 -4.23 -1.26 -3.18 115.64 100.04 1bqp s THR 34 Ca -0.25 -0.56 0.02 0.00 -1.18 0.00 0.00 61.69 59.73 1bqp s THR 34 Cb 0.07 -0.81 0.07 0.00 1.34 0.00 0.00 72.50 73.17 1bqp s THR 34 CO 0.72 -0.31 0.84 -0.54 -0.54 0.00 0.00 174.62 174.79 1bqp s LYS 35 N -2.00 2.22 -1.44 3.99 1.02 -1.26 -4.97 119.74 117.29 1bqp s LYS 35 Ca -0.09 -1.08 -0.13 0.00 0.02 0.00 0.00 55.97 54.69 1bqp s LYS 35 Cb -0.03 -2.48 0.06 0.00 -0.52 0.00 0.00 37.83 34.86 1bqp s LYS 35 CO 0.00 -0.96 2.19 0.00 -0.92 0.00 0.00 175.35 175.66 1bqp n ALA 36 N -2.46 5.54 -2.82 5.17 0.00 -1.26 -4.85 120.51 119.83 1bqp n ALA 36 Ca 0.12 -3.94 -0.14 0.00 0.00 0.00 0.00 53.44 49.48 1bqp n ALA 36 Cb 0.60 -3.47 -0.12 0.00 0.00 0.00 0.00 19.45 16.46 1bqp n ALA 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1bqp s VAL 37 N 2.83 0.57 0.60 0.00 -7.23 -1.26 -5.06 120.40 110.85 1bqp s VAL 37 Ca 0.46 -0.88 -0.17 0.00 -1.81 0.00 0.00 61.98 59.59 1bqp s VAL 37 Cb 0.13 -0.59 -0.03 0.00 0.56 0.00 0.00 36.38 36.45 1bqp s VAL 37 CO -0.08 -0.23 1.09 -1.59 -0.31 0.00 0.00 175.10 173.98 1bqp s LYS 38 N -1.21 3.15 -1.22 4.82 -2.85 -1.26 -4.31 119.74 116.87 1bqp s LYS 38 Ca -0.06 1.38 -0.20 0.00 -1.00 0.00 0.00 55.97 56.09 1bqp s LYS 38 Cb -0.08 -2.00 0.01 0.00 -2.06 0.00 0.00 37.83 33.70 1bqp s LYS 38 CO 0.00 -0.97 0.67 0.09 0.10 0.00 0.00 175.35 175.25 1bqp n ASN 39 N -1.96 -3.90 -4.42 0.03 5.03 -1.26 -5.03 115.26 103.75 1bqp n ASN 39 Ca 0.10 -1.09 -0.21 0.00 0.87 0.00 0.00 54.58 54.26 1bqp n ASN 39 Cb 0.52 -2.88 -0.10 0.00 -1.02 0.00 0.00 39.78 36.29 1bqp n ASN 39 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1bqp s THR 40 N -3.60 1.25 -0.14 3.41 -4.23 -1.26 -5.05 115.64 106.01 1bqp s THR 40 Ca 0.38 -2.03 -0.13 0.00 -1.18 0.00 0.00 61.69 58.72 1bqp s THR 40 Cb -0.16 -2.65 0.04 0.00 1.34 0.00 0.00 72.50 71.08 1bqp s THR 40 CO 0.90 -0.12 0.38 0.54 -0.54 0.00 0.00 174.62 175.78 1bqp s VAL 41 N -3.26 -0.00 -0.01 2.29 0.11 -1.26 -4.65 120.40 113.62 1bqp s VAL 41 Ca 0.34 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.38 1bqp s VAL 41 Cb 0.07 -0.54 0.00 0.00 -1.53 0.00 0.00 36.38 34.39 1bqp s VAL 41 CO 0.14 0.00 0.02 -0.83 -3.33 0.00 0.00 175.10 171.10 1bqp s GLY 42 N 0.21 -0.01 0.05 6.54 0.00 -1.19 -0.82 107.32 112.11 1bqp s GLY 42 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.80 1bqp s GLY 42 CO 0.00 0.09 -0.05 0.50 0.00 0.00 0.00 173.10 173.65 1bqp s ARG 43 N 0.08 0.57 -0.12 2.90 0.52 -0.55 -4.84 118.95 117.51 1bqp s ARG 43 Ca -0.01 -1.01 -0.06 0.00 -0.52 0.00 0.00 55.73 54.13 1bqp s ARG 43 Cb -0.01 0.01 0.05 0.00 0.52 0.00 0.00 34.95 35.52 1bqp s ARG 43 CO -0.00 -0.05 0.27 0.00 0.02 0.00 0.00 175.30 175.54 1bqp s ALA 44 N -2.82 -0.64 0.06 2.13 0.00 -1.26 -1.06 121.76 118.17 1bqp s ALA 44 Ca -0.01 1.08 0.08 0.00 0.00 0.00 0.00 51.96 53.12 1bqp s ALA 44 Cb -0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.36 1bqp s ALA 44 CO -0.05 -0.27 -0.22 -0.51 0.00 0.00 0.00 175.76 174.71 1bqp s LEU 45 N 1.43 2.20 0.23 0.00 1.43 0.58 -4.94 118.68 119.61 1bqp s LEU 45 Ca -0.08 -0.58 -0.30 0.00 -1.03 0.00 0.00 54.13 52.14 1bqp s LEU 45 Cb -0.10 -1.04 -0.09 0.00 0.03 0.00 0.00 46.19 44.98 1bqp s LEU 45 CO -0.09 0.17 1.32 -0.47 0.23 0.00 0.00 176.35 177.50 1bqp s TYR 46 N -0.88 3.21 0.49 0.29 6.04 -1.26 0.13 117.35 125.38 1bqp s TYR 46 Ca 0.09 1.24 0.36 0.00 0.04 0.00 0.00 57.07 58.80 1bqp s TYR 46 Cb -0.09 -3.63 1.91 0.00 -1.04 0.00 0.00 41.96 39.11 1bqp s TYR 46 CO 0.03 -1.91 2.21 0.66 -1.54 0.00 0.00 175.55 174.99 1bqp h SER 47 N 4.99 0.00 -3.16 4.32 4.64 -0.77 -3.43 113.55 120.13 1bqp h SER 47 Ca -0.46 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.25 1bqp h SER 47 Cb 1.22 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.19 1bqp h SER 47 CO 0.75 0.03 -0.51 -0.55 -0.87 0.00 0.00 176.83 175.68 1bqp s SER 48 N -5.65 6.08 0.54 4.97 0.15 -1.26 -5.02 113.70 113.51 1bqp s SER 48 Ca -0.03 0.24 -0.22 0.00 0.70 0.00 0.00 55.95 56.64 1bqp s SER 48 Cb 0.13 -2.04 -0.05 0.00 -1.71 0.00 0.00 66.02 62.35 1bqp s SER 48 CO 0.50 0.23 1.33 -2.84 1.20 0.00 0.00 173.24 173.65 1bqp s PRO 49 N 0.08 3.18 -0.02 5.44 0.02 -1.26 -5.01 135.00 137.42 1bqp s PRO 49 Ca 0.08 2.17 0.05 0.00 0.02 0.00 0.00 61.00 63.32 1bqp s PRO 49 Cb -0.11 -2.25 -0.03 0.00 0.02 0.00 0.00 34.50 32.13 1bqp s PRO 49 CO -0.00 -1.13 -0.15 0.42 -0.33 0.00 0.00 177.00 175.80 1bqp s ILE 50 N -1.34 2.98 -0.65 2.83 1.09 -1.26 -5.07 121.20 119.78 1bqp s ILE 50 Ca 0.71 -0.87 -0.21 0.00 -1.10 0.00 0.00 60.65 59.18 1bqp s ILE 50 Cb -0.39 -2.19 0.09 0.00 -1.06 0.00 0.00 42.46 38.91 1bqp s ILE 50 CO 0.46 0.51 0.87 -2.28 -0.10 0.00 0.00 174.94 174.39 1bqp s HIS 51 N -0.80 2.83 0.06 3.97 2.46 -1.26 -4.90 115.29 117.66 1bqp s HIS 51 Ca 0.13 -0.77 0.03 0.00 0.47 0.00 0.00 55.06 54.92 1bqp s HIS 51 Cb -0.11 -4.18 -0.24 0.00 -0.13 0.00 0.00 32.58 27.92 1bqp s HIS 51 CO 0.02 -1.50 1.08 0.97 -2.47 0.00 0.00 174.74 172.84 1bqp h ILE 52 N 5.94 1.44 -3.21 0.89 6.09 -1.97 -3.45 117.51 123.24 1bqp h ILE 52 Ca -0.27 -3.12 -0.04 0.00 -1.37 0.00 0.00 64.86 60.06 1bqp h ILE 52 Cb 1.07 2.80 -0.13 0.00 0.47 0.00 0.00 36.82 41.03 1bqp h ILE 52 CO 1.14 0.86 0.03 -1.66 -3.07 0.00 0.00 178.15 175.46 1bqp s TRP 53 N -2.66 -0.34 -0.14 2.19 1.48 -1.26 -0.18 118.94 118.03 1bqp s TRP 53 Ca -0.03 0.09 0.01 0.00 -1.06 0.00 0.00 56.10 55.11 1bqp s TRP 53 Cb 0.08 0.37 0.02 0.00 -1.16 0.00 0.00 33.47 32.78 1bqp s TRP 53 CO 0.84 -0.75 -0.17 0.34 -4.06 0.00 0.00 176.95 173.16 1bqp s ASP 54 N -2.71 2.76 0.19 -2.66 2.15 0.50 -4.99 116.67 111.91 1bqp s ASP 54 Ca 0.02 -0.52 -0.12 0.00 0.43 0.00 0.00 52.55 52.36 1bqp s ASP 54 Cb 0.01 -1.25 0.13 0.00 -0.30 0.00 0.00 42.92 41.51 1bqp s ASP 54 CO -0.11 -0.00 1.83 0.08 -0.17 0.00 0.00 175.17 176.79 1bqp h ARG 55 N 7.74 0.69 -0.25 4.34 -0.00 -1.93 1.10 114.38 126.07 1bqp h ARG 55 Ca -0.37 -0.04 0.05 0.00 -0.00 0.00 0.00 59.98 59.62 1bqp h ARG 55 Cb 1.16 -0.16 -0.08 0.00 -0.00 0.00 0.00 29.97 30.89 1bqp h ARG 55 CO 0.54 0.46 -0.47 1.49 -0.00 0.00 0.00 179.97 181.99 1bqp h GLU 56 N 0.71 -0.44 0.00 0.08 4.57 -1.97 -2.57 114.58 114.97 1bqp h GLU 56 Ca 0.24 0.03 -0.11 0.00 -1.18 0.00 0.00 59.36 58.34 1bqp h GLU 56 Cb 0.02 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 1bqp h GLU 56 CO -0.10 -0.29 -1.28 0.25 -1.18 0.00 0.00 179.01 176.41 1bqp n THR 57 N -5.42 0.98 -0.97 0.32 -2.24 -1.17 -4.95 114.28 100.83 1bqp n THR 57 Ca -0.03 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 1bqp n THR 57 Cb 0.36 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 1bqp n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bqp n GLY 58 N 1.32 0.49 3.82 3.38 0.00 0.38 -5.03 105.19 109.55 1bqp n GLY 58 Ca -0.06 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 1bqp n GLY 58 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1bqp s ASN 59 N -2.19 6.62 0.03 1.61 0.01 -1.11 -4.81 114.94 115.08 1bqp s ASN 59 Ca 0.00 1.73 0.07 0.00 -0.71 0.00 0.00 52.86 53.95 1bqp s ASN 59 Cb 0.00 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 39.10 1bqp s ASN 59 CO 0.00 -0.59 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.12 1bqp s VAL 60 N -2.26 1.54 0.46 1.60 1.01 -1.26 -0.37 120.40 121.13 1bqp s VAL 60 Ca 0.63 -1.06 -0.20 0.00 0.00 0.00 0.00 61.98 61.35 1bqp s VAL 60 Cb -0.12 -1.33 -0.10 0.00 0.00 0.00 0.00 36.38 34.84 1bqp s VAL 60 CO 0.21 0.24 0.98 0.00 0.00 0.00 0.00 175.10 176.53 1bqp s ALA 61 N -0.70 3.00 -0.19 5.51 0.00 0.75 -4.78 121.76 125.36 1bqp s ALA 61 Ca 0.07 0.40 -0.09 0.00 0.00 0.00 0.00 51.96 52.33 1bqp s ALA 61 Cb -0.08 -3.17 -0.05 0.00 0.00 0.00 0.00 23.12 19.82 1bqp s ALA 61 CO 0.01 -0.06 0.13 -0.80 0.00 0.00 0.00 175.76 175.04 1bqp s ASN 62 N -2.34 6.24 0.10 0.00 0.01 -1.26 -4.33 114.94 113.37 1bqp s ASN 62 Ca 0.62 0.27 0.00 0.00 -0.71 0.00 0.00 52.86 53.05 1bqp s ASN 62 Cb -0.11 -2.09 -0.04 0.00 0.41 0.00 0.00 41.25 39.42 1bqp s ASN 62 CO 0.19 0.22 -0.01 0.72 -1.51 0.00 0.00 177.10 176.71 1bqp s PHE 63 N 0.10 0.82 -0.06 2.20 -0.12 -1.15 -5.00 117.98 114.77 1bqp s PHE 63 Ca 0.09 -1.06 -0.09 0.00 -0.05 0.00 0.00 56.93 55.82 1bqp s PHE 63 Cb -0.11 -0.50 0.02 0.00 -0.63 0.00 0.00 43.02 41.80 1bqp s PHE 63 CO -0.01 -0.32 0.23 0.08 -0.05 0.00 0.00 175.22 175.15 1bqp s VAL 64 N -3.82 0.03 -0.01 -2.49 1.01 -1.26 -1.17 120.40 112.68 1bqp s VAL 64 Ca 0.15 -0.22 -0.07 0.00 0.00 0.00 0.00 61.98 61.84 1bqp s VAL 64 Cb 0.07 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 36.05 1bqp s VAL 64 CO -0.03 -0.12 0.14 0.28 0.00 0.00 0.00 175.10 175.37 1bqp s THR 65 N -0.41 0.07 0.02 3.92 -1.32 -0.27 -5.01 115.64 112.64 1bqp s THR 65 Ca -0.05 -0.57 0.01 0.00 -1.21 0.00 0.00 61.69 59.87 1bqp s THR 65 Cb -0.03 -0.40 -0.01 0.00 -1.51 0.00 0.00 72.50 70.54 1bqp s THR 65 CO 0.01 -0.31 -0.04 -0.44 -2.21 0.00 0.00 174.62 171.63 1bqp s SER 66 N -1.13 0.42 0.10 8.08 0.01 -1.26 -1.02 113.70 118.90 1bqp s SER 66 Ca -0.12 -0.33 -0.24 0.00 1.31 0.00 0.00 55.95 56.57 1bqp s SER 66 Cb -0.06 0.03 0.06 0.00 0.21 0.00 0.00 66.02 66.26 1bqp s SER 66 CO 0.01 -0.14 0.58 0.72 0.41 0.00 0.00 173.24 174.82 1bqp s PHE 67 N -0.88 -0.51 -0.11 2.43 -0.12 -0.60 -5.00 117.98 113.19 1bqp s PHE 67 Ca -0.08 0.46 0.03 0.00 -0.05 0.00 0.00 56.93 57.28 1bqp s PHE 67 Cb -0.06 0.47 -0.01 0.00 -0.63 0.00 0.00 43.02 42.79 1bqp s PHE 67 CO -0.00 -0.76 -0.20 0.99 -0.05 0.00 0.00 175.22 175.20 1bqp s THR 68 N -3.08 2.40 0.11 -4.49 2.01 -1.26 -0.20 115.64 111.14 1bqp s THR 68 Ca -0.02 -0.90 0.03 0.00 0.31 0.00 0.00 61.69 61.11 1bqp s THR 68 Cb -0.00 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 1bqp s THR 68 CO -0.07 0.55 -0.08 0.72 -0.69 0.00 0.00 174.62 175.05 1bqp s PHE 69 N 0.34 1.04 -0.01 4.92 -0.12 -0.58 -4.94 117.98 118.62 1bqp s PHE 69 Ca -0.16 -0.83 0.01 0.00 -0.05 0.00 0.00 56.93 55.90 1bqp s PHE 69 Cb -0.17 -0.56 0.00 0.00 -0.63 0.00 0.00 43.02 41.65 1bqp s PHE 69 CO 0.08 -0.05 -0.04 0.08 -0.05 0.00 0.00 175.22 175.24 1bqp s VAL 70 N -3.37 0.32 -0.14 -2.49 1.01 -1.26 -1.00 120.40 113.47 1bqp s VAL 70 Ca 0.13 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.98 1bqp s VAL 70 Cb 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 36.13 1bqp s VAL 70 CO -0.02 0.10 -0.20 -0.63 0.00 0.00 0.00 175.10 174.35 1bqp s ILE 71 N 0.07 2.32 -0.29 2.22 1.01 -1.26 -5.01 121.20 120.25 1bqp s ILE 71 Ca -0.00 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 59.78 1bqp s ILE 71 Cb -0.03 -1.94 0.08 0.00 0.01 0.00 0.00 42.46 40.57 1bqp s ILE 71 CO -0.00 0.54 -0.04 0.20 0.00 0.00 0.00 174.94 175.64 1bqp s ASN 72 N 0.70 4.50 -0.22 3.58 0.01 -1.26 0.30 114.94 122.55 1bqp s ASN 72 Ca -0.09 -1.67 -0.04 0.00 -0.71 0.00 0.00 52.86 50.35 1bqp s ASN 72 Cb -0.16 -1.52 -0.01 0.00 0.41 0.00 0.00 41.25 39.97 1bqp s ASN 72 CO 0.01 -0.27 -0.03 0.00 -1.51 0.00 0.00 177.10 175.30 1bqp s ALA 73 N 1.07 2.87 0.47 0.60 0.00 -1.26 -4.85 121.76 120.65 1bqp s ALA 73 Ca -0.00 -1.15 0.14 0.00 0.00 0.00 0.00 51.96 50.95 1bqp s ALA 73 Cb -0.19 -1.75 1.08 0.00 0.00 0.00 0.00 23.12 22.25 1bqp s ALA 73 CO -0.07 -0.41 2.04 -1.00 0.00 0.00 0.00 175.76 176.32 1bqp h PRO 74 N 8.07 0.02 -4.64 0.00 0.13 -1.97 -3.35 132.00 130.27 1bqp h PRO 74 Ca -0.41 -0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.04 1bqp h PRO 74 Cb 1.16 -0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.93 1bqp h PRO 74 CO 0.60 0.13 -0.65 1.21 -0.23 0.00 0.00 178.00 179.06 1bqp s ASN 75 N -7.01 4.98 0.23 1.44 3.84 -1.26 -4.98 114.94 112.17 1bqp s ASN 75 Ca -0.04 -1.86 0.14 0.00 0.21 0.00 0.00 52.86 51.31 1bqp s ASN 75 Cb 0.16 -1.72 0.79 0.00 -0.55 0.00 0.00 41.25 39.92 1bqp s ASN 75 CO 0.69 -0.41 1.42 -1.54 -2.79 0.00 0.00 177.10 174.48 1bqp n SER 76 N 4.49 0.38 -0.01 -4.21 3.41 -1.26 -1.57 113.62 114.84 1bqp n SER 76 Ca -0.04 0.66 0.08 0.00 -0.26 0.00 0.00 58.87 59.31 1bqp n SER 76 Cb 0.42 -0.69 -0.15 0.00 -0.26 0.00 0.00 64.21 63.52 1bqp n SER 76 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1bqp n TYR 77 N -2.01 0.09 -3.72 7.33 0.53 -1.26 -4.67 117.16 113.46 1bqp n TYR 77 Ca -0.01 0.03 -0.35 0.00 -1.02 0.00 0.00 57.90 56.55 1bqp n TYR 77 Cb 0.06 -0.62 -0.09 0.00 -1.03 0.00 0.00 39.34 37.67 1bqp n TYR 77 CO 0.00 0.00 0.00 -0.80 -1.02 0.00 0.00 176.86 175.04 1bqp s ASN 78 N -4.75 5.45 -0.08 7.72 -0.87 -0.61 -5.05 114.94 116.76 1bqp s ASN 78 Ca -0.08 -3.36 0.05 0.00 -1.57 0.00 0.00 52.86 47.90 1bqp s ASN 78 Cb 0.12 -1.84 -0.01 0.00 -0.02 0.00 0.00 41.25 39.51 1bqp s ASN 78 CO 0.89 -0.25 -0.23 -0.69 -2.57 0.00 0.00 177.10 174.25 1bqp s VAL 79 N -0.80 2.19 -0.01 1.60 1.01 -1.26 -4.63 120.40 118.51 1bqp s VAL 79 Ca 0.22 -1.00 -0.28 0.00 0.00 0.00 0.00 61.98 60.92 1bqp s VAL 79 Cb -0.13 -1.82 0.10 0.00 0.00 0.00 0.00 36.38 34.53 1bqp s VAL 79 CO -0.09 0.56 0.85 0.00 0.00 0.00 0.00 175.10 176.43 1bqp s ALA 80 N 0.01 -1.81 -0.07 5.51 0.00 -1.26 -3.96 121.76 120.19 1bqp s ALA 80 Ca -0.08 1.05 0.10 0.00 0.00 0.00 0.00 51.96 53.03 1bqp s ALA 80 Cb -0.15 0.28 -0.14 0.00 0.00 0.00 0.00 23.12 23.10 1bqp s ALA 80 CO 0.05 -0.62 0.12 -0.25 0.00 0.00 0.00 175.76 175.06 1bqp n ASP 81 N -0.03 2.46 0.00 0.00 8.00 -1.26 -5.02 116.55 120.70 1bqp n ASP 81 Ca -0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.39 1bqp n ASP 81 Cb 0.61 1.04 0.00 0.00 -0.02 0.00 0.00 41.12 42.76 1bqp n ASP 81 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bqp n GLY 82 N 2.18 -0.03 3.10 0.44 0.00 -1.26 -2.24 105.19 107.37 1bqp n GLY 82 Ca -0.11 -1.68 -0.11 0.00 0.00 0.00 0.00 46.02 44.11 1bqp n GLY 82 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1bqp s PHE 83 N -2.05 0.03 0.06 1.61 5.36 -0.60 -4.99 117.98 117.40 1bqp s PHE 83 Ca 0.00 -0.11 -0.06 0.00 -0.96 0.00 0.00 56.93 55.80 1bqp s PHE 83 Cb 0.00 -0.04 -0.01 0.00 -0.34 0.00 0.00 43.02 42.62 1bqp s PHE 83 CO 0.00 -0.27 0.10 0.95 -1.46 0.00 0.00 175.22 174.54 1bqp s THR 84 N -1.30 0.15 -0.14 0.12 -4.23 -1.26 -0.53 115.64 108.46 1bqp s THR 84 Ca -0.14 -1.27 -0.01 0.00 -1.18 0.00 0.00 61.69 59.09 1bqp s THR 84 Cb -0.07 -1.19 -0.01 0.00 1.34 0.00 0.00 72.50 72.57 1bqp s THR 84 CO 0.01 -0.70 -0.12 0.12 -0.54 0.00 0.00 174.62 173.39 1bqp s PHE 85 N -3.32 2.83 0.19 3.99 5.36 -0.66 -4.96 117.98 121.41 1bqp s PHE 85 Ca 0.01 -0.71 0.03 0.00 -0.96 0.00 0.00 56.93 55.30 1bqp s PHE 85 Cb 0.03 -1.88 -0.05 0.00 -0.34 0.00 0.00 43.02 40.78 1bqp s PHE 85 CO -0.08 -0.27 -0.02 -0.59 -1.46 0.00 0.00 175.22 172.80 1bqp s PHE 86 N 0.52 1.35 -0.13 10.12 -0.71 -1.26 -0.53 117.98 127.34 1bqp s PHE 86 Ca -0.08 -0.94 -0.00 0.00 -1.04 0.00 0.00 56.93 54.87 1bqp s PHE 86 Cb -0.16 -0.76 0.03 0.00 -1.21 0.00 0.00 43.02 40.92 1bqp s PHE 86 CO 0.04 -0.10 -0.09 0.42 -1.34 0.00 0.00 175.22 174.15 1bqp s ILE 87 N -3.51 1.18 0.29 -4.49 1.01 -0.38 -5.01 121.20 110.29 1bqp s ILE 87 Ca 0.24 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.50 1bqp s ILE 87 Cb 0.05 -1.19 -0.03 0.00 0.01 0.00 0.00 42.46 41.30 1bqp s ILE 87 CO 0.05 0.36 0.26 0.00 0.00 0.00 0.00 174.94 175.61 1bqp s ALA 88 N 1.64 1.48 0.72 9.38 0.00 -1.26 -2.07 121.76 131.65 1bqp s ALA 88 Ca 0.04 -1.87 -0.15 0.00 0.00 0.00 0.00 51.96 49.99 1bqp s ALA 88 Cb -0.13 1.41 0.04 0.00 0.00 0.00 0.00 23.12 24.43 1bqp s ALA 88 CO -0.09 -0.66 1.18 -2.14 0.00 0.00 0.00 175.76 174.05 1bqp s PRO 89 N -3.64 2.23 0.31 0.00 0.02 -1.25 -4.90 135.00 127.77 1bqp s PRO 89 Ca 0.39 1.67 0.08 0.00 0.02 0.00 0.00 61.00 63.15 1bqp s PRO 89 Cb 0.03 -1.85 0.84 0.00 0.02 0.00 0.00 34.50 33.54 1bqp s PRO 89 CO 0.22 -1.74 1.71 0.28 -0.33 0.00 0.00 177.00 177.13 1bqp h VAL 90 N -0.30 0.49 -0.47 3.83 2.07 -1.99 -0.24 116.25 119.63 1bqp h VAL 90 Ca -0.47 -0.16 -0.14 0.00 0.82 0.00 0.00 66.70 66.74 1bqp h VAL 90 Cb 1.28 -0.04 -0.08 0.00 -1.52 0.00 0.00 31.29 30.93 1bqp h VAL 90 CO 0.50 0.09 0.18 -0.90 0.02 0.00 0.00 177.57 177.46 1bqp n ASP 91 N -4.97 3.75 -4.66 0.57 5.68 -1.26 -4.97 116.55 110.69 1bqp n ASP 91 Ca 0.25 -2.77 -0.46 0.00 -0.50 0.00 0.00 54.79 51.32 1bqp n ASP 91 Cb 0.73 -0.66 -0.04 0.00 -1.14 0.00 0.00 41.12 40.01 1bqp n ASP 91 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1bqp n THR 92 N -0.01 0.27 -4.35 2.12 5.66 -0.10 -5.02 114.28 112.85 1bqp n THR 92 Ca 0.26 -0.07 -0.19 0.00 -3.05 0.00 0.00 64.05 61.01 1bqp n THR 92 Cb 1.02 -1.47 -0.10 0.00 -1.55 0.00 0.00 70.33 68.23 1bqp n THR 92 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1bqp s LYS 93 N 0.50 1.34 0.35 1.09 1.02 -1.26 -5.07 119.74 117.70 1bqp s LYS 93 Ca 0.76 -1.59 -0.27 0.00 0.02 0.00 0.00 55.97 54.89 1bqp s LYS 93 Cb -0.69 -1.14 -0.12 0.00 -0.52 0.00 0.00 37.83 35.36 1bqp s LYS 93 CO 0.42 0.19 1.16 -2.30 -0.92 0.00 0.00 175.35 173.90 1bqp n PRO 94 N -0.38 1.76 0.00 -1.68 -0.02 -1.26 -4.97 135.00 128.45 1bqp n PRO 94 Ca -0.08 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1bqp n PRO 94 Cb 0.60 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1bqp n PRO 94 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1bqp n GLN 95 N 0.48 3.47 -2.42 -0.52 1.13 0.05 -5.01 117.38 114.57 1bqp n GLN 95 Ca 0.07 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.72 1bqp n GLN 95 Cb 0.36 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.67 1bqp n GLN 95 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1bqp s THR 96 N 3.82 3.66 0.00 5.09 2.01 -1.10 -4.67 115.64 124.45 1bqp s THR 96 Ca 0.00 1.41 0.00 0.00 0.31 0.00 0.00 61.69 63.41 1bqp s THR 96 Cb 0.00 -3.90 0.00 0.00 0.01 0.00 0.00 72.50 68.61 1bqp s THR 96 CO 0.00 0.23 0.00 0.61 -0.69 0.00 0.00 174.62 174.77 1bqp n GLY 97 N 2.14 -0.48 7.00 4.40 0.00 -1.26 -0.51 105.19 116.48 1bqp n GLY 97 Ca 0.04 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1bqp n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bqp n GLY 98 N 4.61 3.35 0.03 -0.02 0.00 -1.26 -1.52 105.19 110.37 1bqp n GLY 98 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.06 1bqp n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bqp n GLY 99 N 0.00 -0.80 0.14 -0.02 0.00 -1.26 -1.39 105.19 101.86 1bqp n GLY 99 Ca 0.00 0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.16 1bqp n GLY 99 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bqp n TYR 100 N -1.63 0.00 -1.02 1.61 4.02 -0.58 -4.95 117.16 114.61 1bqp n TYR 100 Ca 0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.90 1bqp n TYR 100 Cb 0.09 -0.19 -0.00 0.00 -0.02 0.00 0.00 39.34 39.22 1bqp n TYR 100 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1bqp n LEU 101 N -0.97 0.83 0.00 7.72 4.32 -0.48 -2.50 117.00 125.91 1bqp n LEU 101 Ca 0.11 0.02 0.00 0.00 -0.02 0.00 0.00 56.01 56.12 1bqp n LEU 101 Cb 0.33 -2.36 0.00 0.00 -1.62 0.00 0.00 43.42 39.77 1bqp n LEU 101 CO 0.27 -0.92 0.00 0.61 -1.22 0.00 0.00 177.39 176.13 1bqp n GLY 102 N 0.63 0.60 0.00 -0.72 0.00 0.33 -4.86 105.19 101.17 1bqp n GLY 102 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1bqp n GLY 102 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1bqp n VAL 103 N -2.74 0.00 -4.30 1.61 0.24 -1.04 -0.77 118.33 111.33 1bqp n VAL 103 Ca 0.00 -0.18 -0.16 0.00 -2.04 0.00 0.00 64.34 61.97 1bqp n VAL 103 Cb 0.01 0.67 -0.10 0.00 -1.47 0.00 0.00 33.84 32.94 1bqp n VAL 103 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1bqp s PHE 104 N -1.39 1.44 0.00 6.34 0.08 -1.13 -4.83 117.98 118.49 1bqp s PHE 104 Ca 0.00 -1.10 0.00 0.00 0.12 0.00 0.00 56.93 55.95 1bqp s PHE 104 Cb 0.00 -0.84 0.00 0.00 -0.57 0.00 0.00 43.02 41.61 1bqp s PHE 104 CO 0.00 -0.26 0.37 0.09 -0.10 0.00 0.00 175.22 175.33 1bqp n ASN 105 N -0.39 0.69 -3.78 1.36 3.02 -1.26 -2.69 115.26 112.20 1bqp n ASN 105 Ca -0.03 -1.09 -0.05 0.00 -0.03 0.00 0.00 54.58 53.39 1bqp n ASN 105 Cb 0.65 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.80 1bqp n ASN 105 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1bqp s SER 106 N -0.09 -0.21 0.00 6.41 1.04 -1.26 -5.00 113.70 114.60 1bqp s SER 106 Ca 0.00 -0.52 0.24 0.00 0.48 0.00 0.00 55.95 56.15 1bqp s SER 106 Cb 0.00 0.60 0.31 0.00 0.10 0.00 0.00 66.02 67.03 1bqp s SER 106 CO 0.00 -1.12 1.33 0.00 0.98 0.00 0.00 173.24 174.43 1bqp n ALA 107 N -0.47 2.45 -2.85 5.32 0.00 -1.26 -2.14 120.51 121.55 1bqp n ALA 107 Ca -0.05 -0.79 -0.37 0.00 0.00 0.00 0.00 53.44 52.23 1bqp n ALA 107 Cb 0.60 -0.85 -0.07 0.00 0.00 0.00 0.00 19.45 19.13 1bqp n ALA 107 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1bqp s GLU 108 N -1.81 3.48 0.09 0.00 8.01 -1.26 -4.48 118.70 122.72 1bqp s GLU 108 Ca 0.32 -0.16 -0.34 0.00 0.01 0.00 0.00 54.97 54.80 1bqp s GLU 108 Cb 0.21 -3.18 -0.13 0.00 -4.31 0.00 0.00 34.13 26.72 1bqp s GLU 108 CO 0.31 0.72 1.67 0.98 0.01 0.00 0.00 175.26 178.95 1bqp n TYR 109 N 2.16 2.31 -3.87 1.61 9.36 -1.26 -4.70 117.16 122.76 1bqp n TYR 109 Ca -0.19 0.17 -0.30 0.00 3.32 0.00 0.00 57.90 60.90 1bqp n TYR 109 Cb 0.55 -2.58 -0.15 0.00 -0.63 0.00 0.00 39.34 36.52 1bqp n TYR 109 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1bqp s ASP 110 N 1.85 4.39 0.39 2.98 3.68 -0.20 -4.99 116.67 124.77 1bqp s ASP 110 Ca 0.83 -1.91 0.13 0.00 2.13 0.00 0.00 52.55 53.72 1bqp s ASP 110 Cb -0.67 -1.25 0.95 0.00 -1.45 0.00 0.00 42.92 40.50 1bqp s ASP 110 CO 0.42 -0.40 1.86 0.11 0.13 0.00 0.00 175.17 177.29 1bqp h LYS 111 N 7.83 0.53 0.00 4.34 1.57 -1.93 -2.30 116.57 126.61 1bqp h LYS 111 Ca -0.09 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1bqp h LYS 111 Cb 1.02 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1bqp h LYS 111 CO 0.50 0.35 0.00 1.79 -0.57 0.00 0.00 179.45 181.52 1bqp h THR 112 N 0.54 0.00 -0.21 -0.16 1.35 -1.96 -2.97 112.91 109.49 1bqp h THR 112 Ca 0.46 -0.33 -0.11 0.00 -0.55 0.00 0.00 66.41 65.87 1bqp h THR 112 Cb 0.93 1.16 -0.01 0.00 -1.73 0.00 0.00 68.15 68.50 1bqp h THR 112 CO -0.20 0.00 -0.35 0.74 -0.25 0.00 0.00 175.52 175.47 1bqp h THR 113 N 0.00 1.29 -6.47 6.82 2.02 -1.78 -3.47 112.91 111.32 1bqp h THR 113 Ca 0.00 -1.45 -0.49 0.00 0.77 0.00 0.00 66.41 65.24 1bqp h THR 113 Cb 0.47 1.51 -0.04 0.00 -1.74 0.00 0.00 68.15 68.35 1bqp h THR 113 CO 0.00 0.45 -0.89 0.00 0.37 0.00 0.00 175.52 175.45 1bqp n GLN 114 N -4.06 -3.26 -4.10 6.66 6.02 -1.13 -4.66 117.38 112.86 1bqp n GLN 114 Ca -0.01 0.41 -0.21 0.00 -0.01 0.00 0.00 57.00 57.18 1bqp n GLN 114 Cb 0.47 -4.53 -0.17 0.00 1.02 0.00 0.00 30.24 27.03 1bqp n GLN 114 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1bqp s THR 115 N -3.93 0.56 -0.13 5.09 2.01 -1.26 -3.94 115.64 114.05 1bqp s THR 115 Ca 0.02 -0.10 -0.02 0.00 0.31 0.00 0.00 61.69 61.90 1bqp s THR 115 Cb -0.01 -0.61 -0.03 0.00 0.01 0.00 0.00 72.50 71.87 1bqp s THR 115 CO 0.88 0.25 -0.06 -0.69 -0.69 0.00 0.00 174.62 174.31 1bqp s VAL 116 N 1.14 3.70 0.02 3.82 1.01 -0.88 -1.16 120.40 128.05 1bqp s VAL 116 Ca -0.07 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1bqp s VAL 116 Cb -0.14 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 1bqp s VAL 116 CO -0.01 0.53 -0.04 0.00 0.00 0.00 0.00 175.10 175.58 1bqp s ALA 117 N 0.04 0.22 -0.19 5.51 0.00 -0.03 -1.25 121.76 126.06 1bqp s ALA 117 Ca -0.01 -0.63 -0.03 0.00 0.00 0.00 0.00 51.96 51.28 1bqp s ALA 117 Cb -0.14 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 1bqp s ALA 117 CO 0.03 -0.13 -0.05 0.08 0.00 0.00 0.00 175.76 175.69 1bqp s VAL 118 N -1.47 3.53 0.04 0.00 1.01 0.31 -0.39 120.40 123.43 1bqp s VAL 118 Ca -0.15 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.41 1bqp s VAL 118 Cb -0.10 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 1bqp s VAL 118 CO -0.01 0.45 -0.02 -1.83 0.00 0.00 0.00 175.10 173.69 1bqp s GLU 119 N 1.03 2.62 -0.66 2.72 -1.05 0.07 -1.66 118.70 121.77 1bqp s GLU 119 Ca 0.01 -0.74 0.05 0.00 -0.15 0.00 0.00 54.97 54.13 1bqp s GLU 119 Cb -0.15 -2.57 0.17 0.00 -0.44 0.00 0.00 34.13 31.15 1bqp s GLU 119 CO 0.00 0.58 0.48 1.19 0.95 0.00 0.00 175.26 178.46 1bqp n PHE 120 N 1.07 2.57 -2.77 4.83 3.72 0.31 -1.26 117.46 125.94 1bqp n PHE 120 Ca -0.13 -4.15 -0.43 0.00 -0.05 0.00 0.00 57.45 52.70 1bqp n PHE 120 Cb 0.52 -0.48 -0.03 0.00 -0.94 0.00 0.00 39.48 38.55 1bqp n PHE 120 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1bqp s ASP 121 N -1.24 6.81 0.00 4.37 -1.08 -0.39 -1.56 116.67 123.58 1bqp s ASP 121 Ca 0.27 0.86 0.20 0.00 -0.52 0.00 0.00 52.55 53.36 1bqp s ASP 121 Cb -0.02 -2.48 -0.20 0.00 -1.46 0.00 0.00 42.92 38.75 1bqp s ASP 121 CO -0.17 -0.77 0.89 0.35 0.52 0.00 0.00 175.17 175.98 1bqp n THR 122 N 5.74 0.00 -4.91 1.71 -2.24 -0.95 -1.62 114.28 112.01 1bqp n THR 122 Ca 0.08 -0.05 -0.30 0.00 -2.27 0.00 0.00 64.05 61.52 1bqp n THR 122 Cb 0.48 1.03 -0.17 0.00 -2.10 0.00 0.00 70.33 69.57 1bqp n THR 122 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1bqp s PHE 123 N -2.86 2.19 -0.37 4.78 2.19 -1.23 -4.66 117.98 118.01 1bqp s PHE 123 Ca 0.09 -0.91 -0.29 0.00 0.33 0.00 0.00 56.93 56.15 1bqp s PHE 123 Cb 0.16 -1.50 0.01 0.00 -1.31 0.00 0.00 43.02 40.37 1bqp s PHE 123 CO 0.80 -0.40 1.31 -0.47 1.83 0.00 0.00 175.22 178.29 1bqp s TYR 124 N 0.55 2.62 -0.50 10.12 5.04 -1.26 -4.98 117.35 128.94 1bqp s TYR 124 Ca -0.15 0.78 -0.11 0.00 -2.44 0.00 0.00 57.07 55.16 1bqp s TYR 124 Cb -0.17 -4.14 0.13 0.00 0.35 0.00 0.00 41.96 38.13 1bqp s TYR 124 CO 0.05 -1.70 0.39 -0.80 -1.34 0.00 0.00 175.55 172.16 1bqp s ASN 125 N 3.13 5.83 0.38 4.32 -0.87 -1.26 -4.96 114.94 121.50 1bqp s ASN 125 Ca 0.56 -1.94 0.22 0.00 -1.57 0.00 0.00 52.86 50.13 1bqp s ASN 125 Cb -0.14 -2.06 1.29 0.00 -0.02 0.00 0.00 41.25 40.33 1bqp s ASN 125 CO 0.28 -0.72 1.62 0.00 -2.57 0.00 0.00 177.10 175.71 1bqp h ALA 126 N 8.49 2.27 0.00 0.60 0.00 -1.93 0.30 119.26 128.98 1bqp h ALA 126 Ca -0.21 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1bqp h ALA 126 Cb 1.07 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1bqp h ALA 126 CO 0.89 -0.95 -0.02 0.00 0.00 0.00 0.00 179.25 179.16 1bqp h ALA 127 N 1.83 1.08 0.00 0.00 0.00 -2.02 -3.38 119.26 116.78 1bqp h ALA 127 Ca 0.80 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.69 1bqp h ALA 127 Cb 2.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.95 1bqp h ALA 127 CO -0.61 0.03 0.00 -2.67 0.00 0.00 0.00 179.25 176.00 1bqp n TRP 128 N -3.23 0.00 -2.14 0.00 2.14 -0.40 -5.09 117.44 108.72 1bqp n TRP 128 Ca -0.02 0.00 -0.33 0.00 2.07 0.00 0.00 57.50 59.22 1bqp n TRP 128 Cb 0.18 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.68 1bqp n TRP 128 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1bqp s ASP 129 N -0.07 5.83 0.23 -0.67 1.01 0.91 -4.77 116.67 119.14 1bqp s ASP 129 Ca 0.00 1.89 -0.30 0.00 0.71 0.00 0.00 52.55 54.86 1bqp s ASP 129 Cb 0.00 -2.55 -0.15 0.00 1.01 0.00 0.00 42.92 41.23 1bqp s ASP 129 CO 0.00 -1.13 0.95 -2.65 0.21 0.00 0.00 175.17 172.55 1bqp n PRO 130 N -1.77 1.00 0.28 8.23 -0.02 -1.26 -4.82 135.00 136.64 1bqp n PRO 130 Ca 0.09 0.35 0.19 0.00 -2.02 0.00 0.00 63.50 62.11 1bqp n PRO 130 Cb 0.52 -1.69 0.88 0.00 -0.02 0.00 0.00 33.50 33.19 1bqp n PRO 130 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1bqp h SER 131 N 2.17 0.00 0.36 2.55 4.64 -1.96 -1.42 113.55 119.89 1bqp h SER 131 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1bqp h SER 131 Cb 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1bqp h SER 131 CO 0.62 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.12 1bqp n ASN 132 N -2.94 0.00 -0.37 4.97 0.23 -1.26 -4.83 115.26 111.05 1bqp n ASN 132 Ca -0.01 0.27 -0.05 0.00 -0.53 0.00 0.00 54.58 54.26 1bqp n ASN 132 Cb 0.18 -0.38 -0.02 0.00 -2.08 0.00 0.00 39.78 37.48 1bqp n ASN 132 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1bqp n ARG 133 N -1.38 -1.62 -2.55 -3.83 1.74 -0.54 -4.97 116.66 103.51 1bqp n ARG 133 Ca 0.05 0.62 -0.34 0.00 -0.77 0.00 0.00 57.85 57.41 1bqp n ARG 133 Cb 0.13 -4.92 -0.04 0.00 -1.02 0.00 0.00 32.46 26.61 1bqp n ARG 133 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1bqp s ASP 134 N -2.21 6.38 0.68 0.55 1.01 -1.26 -4.76 116.67 117.05 1bqp s ASP 134 Ca 0.00 1.93 -0.15 0.00 0.71 0.00 0.00 52.55 55.04 1bqp s ASP 134 Cb 0.00 -2.56 0.01 0.00 1.01 0.00 0.00 42.92 41.38 1bqp s ASP 134 CO 0.00 -0.75 1.13 -0.13 0.21 0.00 0.00 175.17 175.63 1bqp s ARG 135 N -3.19 2.62 0.20 8.23 0.52 -1.26 -4.88 118.95 121.19 1bqp s ARG 135 Ca 0.67 1.47 -0.23 0.00 -0.52 0.00 0.00 55.73 57.11 1bqp s ARG 135 Cb -0.16 -1.92 0.05 0.00 0.52 0.00 0.00 34.95 33.43 1bqp s ARG 135 CO 0.20 -1.40 0.76 -3.38 0.02 0.00 0.00 175.30 171.50 1bqp s HIS 136 N -2.28 -0.28 -0.13 -0.53 -3.43 -0.64 -1.13 115.29 106.88 1bqp s HIS 136 Ca 0.68 -0.06 -0.06 0.00 -0.80 0.00 0.00 55.06 54.82 1bqp s HIS 136 Cb -0.22 0.64 -0.04 0.00 -1.43 0.00 0.00 32.58 31.53 1bqp s HIS 136 CO 0.43 -1.00 0.10 0.42 -2.00 0.00 0.00 174.74 172.69 1bqp s ILE 137 N -3.68 5.18 0.04 -5.38 1.01 0.21 -1.26 121.20 117.32 1bqp s ILE 137 Ca 0.08 0.09 -0.06 0.00 0.00 0.00 0.00 60.65 60.76 1bqp s ILE 137 Cb -0.03 -3.26 -0.01 0.00 0.01 0.00 0.00 42.46 39.16 1bqp s ILE 137 CO -0.00 0.58 0.11 -0.83 0.00 0.00 0.00 174.94 174.80 1bqp s GLY 138 N -0.69 0.14 -0.36 6.18 0.00 -0.39 -0.70 107.32 111.50 1bqp s GLY 138 Ca 0.13 -0.48 -0.08 0.00 0.00 0.00 0.00 44.72 44.28 1bqp s GLY 138 CO 0.03 -0.62 0.16 -0.42 0.00 0.00 0.00 173.10 172.24 1bqp s ILE 139 N -2.50 4.07 -0.16 0.90 1.01 -0.54 -0.75 121.20 123.23 1bqp s ILE 139 Ca -0.06 -1.10 -0.09 0.00 0.00 0.00 0.00 60.65 59.40 1bqp s ILE 139 Cb -0.02 -3.32 -0.05 0.00 0.01 0.00 0.00 42.46 39.08 1bqp s ILE 139 CO -0.04 -0.24 0.15 -1.81 0.00 0.00 0.00 174.94 173.00 1bqp s ASP 140 N 1.54 6.31 -0.30 3.58 1.01 0.47 -0.45 116.67 128.82 1bqp s ASP 140 Ca 0.00 0.35 -0.01 0.00 0.71 0.00 0.00 52.55 53.60 1bqp s ASP 140 Cb -0.20 -2.10 0.10 0.00 1.01 0.00 0.00 42.92 41.73 1bqp s ASP 140 CO 0.04 0.26 0.10 -0.69 0.21 0.00 0.00 175.17 175.08 1bqp s VAL 141 N -0.14 0.79 -1.72 -1.27 1.01 -1.26 -0.85 120.40 116.95 1bqp s VAL 141 Ca 0.12 -1.32 0.00 0.00 0.00 0.00 0.00 61.98 60.77 1bqp s VAL 141 Cb -0.12 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.67 1bqp s VAL 141 CO 0.01 -0.67 0.00 0.59 0.00 0.00 0.00 175.10 175.03 1bqp n ASN 142 N 4.88 -5.17 -3.57 3.32 5.03 -0.31 -4.83 115.26 114.61 1bqp n ASN 142 Ca -0.03 0.20 -0.11 0.00 0.87 0.00 0.00 54.58 55.51 1bqp n ASN 142 Cb 0.42 -4.43 -0.05 0.00 -1.02 0.00 0.00 39.78 34.70 1bqp n ASN 142 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1bqp s SER 143 N -2.24 -0.41 0.02 6.41 0.15 -1.26 -1.03 113.70 115.34 1bqp s SER 143 Ca 0.00 0.46 0.27 0.00 0.70 0.00 0.00 55.95 57.38 1bqp s SER 143 Cb 0.00 0.35 1.15 0.00 -1.71 0.00 0.00 66.02 65.81 1bqp s SER 143 CO 0.00 -0.37 1.88 0.00 1.20 0.00 0.00 173.24 175.95 1bqp n ILE 144 N 0.79 0.14 -2.99 6.45 0.13 -0.91 -4.55 119.36 118.42 1bqp n ILE 144 Ca -0.11 0.00 -0.44 0.00 -1.10 0.00 0.00 62.75 61.10 1bqp n ILE 144 Cb 0.58 -0.55 -0.05 0.00 -0.84 0.00 0.00 39.64 38.78 1bqp n ILE 144 CO 0.00 0.00 0.00 -0.75 2.80 0.00 0.00 176.55 178.60 1bqp s LYS 145 N -3.01 3.14 0.44 9.51 2.20 -1.26 -4.94 119.74 125.82 1bqp s LYS 145 Ca 0.13 -0.85 -0.23 0.00 -0.36 0.00 0.00 55.97 54.66 1bqp s LYS 145 Cb 0.18 -4.17 -0.10 0.00 -1.51 0.00 0.00 37.83 32.23 1bqp s LYS 145 CO 0.51 -1.54 0.95 0.43 -0.36 0.00 0.00 175.35 175.34 1bqp n SER 146 N 6.95 0.94 0.14 1.43 7.64 -1.26 -4.75 113.62 124.71 1bqp n SER 146 Ca -0.05 1.00 0.02 0.00 1.01 0.00 0.00 58.87 60.85 1bqp n SER 146 Cb 0.45 -1.33 0.10 0.00 -1.01 0.00 0.00 64.21 62.43 1bqp n SER 146 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 1bqp h VAL 147 N 1.34 1.01 -2.16 0.44 3.04 -1.13 -3.46 116.25 115.33 1bqp h VAL 147 Ca -0.44 -2.18 -0.07 0.00 -1.01 0.00 0.00 66.70 63.00 1bqp h VAL 147 Cb 1.35 2.33 -0.20 0.00 -2.01 0.00 0.00 31.29 32.76 1bqp h VAL 147 CO 0.56 0.53 0.10 0.21 -1.01 0.00 0.00 177.57 177.95 1bqp s ASN 148 N -6.50 -0.61 0.06 3.17 2.47 -1.25 -5.01 114.94 107.27 1bqp s ASN 148 Ca 0.02 0.80 -0.02 0.00 0.42 0.00 0.00 52.86 54.08 1bqp s ASN 148 Cb 0.09 0.73 -0.03 0.00 -1.45 0.00 0.00 41.25 40.58 1bqp s ASN 148 CO 0.74 -0.49 0.01 0.42 -3.72 0.00 0.00 177.10 174.06 1bqp s THR 149 N -0.80 0.20 -0.03 -5.21 -4.23 -1.26 -1.46 115.64 102.84 1bqp s THR 149 Ca -0.08 -1.72 -0.01 0.00 -1.18 0.00 0.00 61.69 58.70 1bqp s THR 149 Cb -0.02 -1.54 0.03 0.00 1.34 0.00 0.00 72.50 72.31 1bqp s THR 149 CO 0.07 -0.90 0.05 -0.75 -0.54 0.00 0.00 174.62 172.55 1bqp s LYS 150 N -3.92 -0.04 0.56 3.99 2.47 0.12 -4.97 119.74 117.95 1bqp s LYS 150 Ca 0.08 0.27 -0.21 0.00 -1.56 0.00 0.00 55.97 54.55 1bqp s LYS 150 Cb 0.07 -0.33 -0.04 0.00 -1.46 0.00 0.00 37.83 36.07 1bqp s LYS 150 CO -0.09 -0.23 1.32 -1.12 0.16 0.00 0.00 175.35 175.39 1bqp s SER 151 N 1.47 5.25 -0.08 1.43 0.01 -1.26 -0.62 113.70 119.91 1bqp s SER 151 Ca -0.04 2.67 -0.05 0.00 1.31 0.00 0.00 55.95 59.84 1bqp s SER 151 Cb -0.13 -2.63 0.03 0.00 0.21 0.00 0.00 66.02 63.51 1bqp s SER 151 CO -0.03 -1.57 0.18 0.86 0.41 0.00 0.00 173.24 173.09 1bqp s TRP 152 N -1.36 -0.22 -0.41 2.43 -0.00 -0.28 -4.79 118.94 114.31 1bqp s TRP 152 Ca 0.73 0.55 -0.17 0.00 -0.00 0.00 0.00 56.10 57.21 1bqp s TRP 152 Cb -0.38 0.01 0.02 0.00 -0.00 0.00 0.00 33.47 33.12 1bqp s TRP 152 CO 0.44 -0.15 0.41 0.15 -0.00 0.00 0.00 176.95 177.80 1bqp s LYS 153 N 0.72 3.10 0.26 5.86 3.01 -1.26 -4.18 119.74 127.25 1bqp s LYS 153 Ca -0.05 -0.79 -0.30 0.00 -1.01 0.00 0.00 55.97 53.82 1bqp s LYS 153 Cb -0.07 -3.96 -0.11 0.00 -1.01 0.00 0.00 37.83 32.68 1bqp s LYS 153 CO -0.04 -0.82 1.58 -1.17 0.51 0.00 0.00 175.35 175.41 1bqp s LEU 154 N 2.05 4.36 -0.61 3.17 2.96 -1.26 -4.96 118.68 124.38 1bqp s LEU 154 Ca 0.11 2.85 -0.03 0.00 -0.22 0.00 0.00 54.13 56.83 1bqp s LEU 154 Cb -0.17 -3.62 0.16 0.00 0.50 0.00 0.00 46.19 43.05 1bqp s LEU 154 CO 0.13 -0.87 0.43 -1.10 -1.32 0.00 0.00 176.35 173.62 1bqp s GLN 155 N -0.09 2.54 -0.12 1.98 -0.21 -1.26 -5.05 119.66 117.45 1bqp s GLN 155 Ca 0.65 -2.47 -0.39 0.00 0.02 0.00 0.00 55.36 53.16 1bqp s GLN 155 Cb -0.46 -3.73 -0.17 0.00 1.00 0.00 0.00 33.01 29.65 1bqp s GLN 155 CO 0.43 -1.17 1.52 -1.71 -2.12 0.00 0.00 175.29 172.24 1bqp n ASN 156 N 3.58 1.83 0.00 5.90 4.05 -1.26 -1.35 115.26 128.01 1bqp n ASN 156 Ca 0.07 1.11 0.00 0.00 0.45 0.00 0.00 54.58 56.21 1bqp n ASN 156 Cb 0.38 -1.13 0.00 0.00 1.23 0.00 0.00 39.78 40.26 1bqp n ASN 156 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1bqp n GLY 157 N 3.29 1.49 3.87 8.20 0.00 0.15 -5.01 105.19 117.17 1bqp n GLY 157 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 1bqp n GLY 157 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bqp s GLU 158 N -0.09 3.85 -0.03 1.61 0.41 -0.46 -4.85 118.70 119.15 1bqp s GLU 158 Ca 0.00 0.41 -0.29 0.00 -0.41 0.00 0.00 54.97 54.68 1bqp s GLU 158 Cb 0.00 -2.55 -0.03 0.00 -1.78 0.00 0.00 34.13 29.78 1bqp s GLU 158 CO 0.00 0.22 0.94 -1.21 -0.49 0.00 0.00 175.26 174.72 1bqp s GLU 159 N -3.04 4.52 -0.14 1.61 2.02 -1.26 -4.43 118.70 117.98 1bqp s GLU 159 Ca 0.50 1.33 -0.02 0.00 0.02 0.00 0.00 54.97 56.80 1bqp s GLU 159 Cb -0.11 -3.47 -0.02 0.00 0.10 0.00 0.00 34.13 30.63 1bqp s GLU 159 CO 0.22 -0.08 -0.08 0.00 0.02 0.00 0.00 175.26 175.33 1bqp s ALA 160 N 1.17 2.83 -0.23 5.21 0.00 -0.17 -4.35 121.76 126.22 1bqp s ALA 160 Ca 0.49 -0.85 -0.09 0.00 0.00 0.00 0.00 51.96 51.51 1bqp s ALA 160 Cb -0.20 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 1bqp s ALA 160 CO 0.25 0.26 0.11 -0.80 0.00 0.00 0.00 175.76 175.58 1bqp s ASN 161 N 0.27 5.73 0.09 0.00 0.01 -0.62 -1.52 114.94 118.89 1bqp s ASN 161 Ca -0.06 0.02 0.09 0.00 -0.71 0.00 0.00 52.86 52.19 1bqp s ASN 161 Cb -0.15 -2.02 -0.04 0.00 0.41 0.00 0.00 41.25 39.45 1bqp s ASN 161 CO 0.04 0.06 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.80 1bqp s VAL 162 N 1.05 2.67 -0.04 1.60 1.01 0.72 -1.05 120.40 126.37 1bqp s VAL 162 Ca 0.06 -1.43 -0.02 0.00 0.00 0.00 0.00 61.98 60.59 1bqp s VAL 162 Cb -0.14 -2.17 0.03 0.00 0.00 0.00 0.00 36.38 34.10 1bqp s VAL 162 CO 0.04 0.20 0.05 -0.69 0.00 0.00 0.00 175.10 174.70 1bqp s VAL 163 N -1.03 -0.08 -0.13 2.92 1.01 -0.90 -1.56 120.40 120.64 1bqp s VAL 163 Ca 0.16 0.38 0.03 0.00 0.00 0.00 0.00 61.98 62.55 1bqp s VAL 163 Cb -0.10 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 36.12 1bqp s VAL 163 CO 0.07 0.17 -0.21 -0.63 0.00 0.00 0.00 175.10 174.50 1bqp s ILE 164 N 2.01 2.19 0.08 2.22 1.01 -0.19 -2.02 121.20 126.50 1bqp s ILE 164 Ca 0.03 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 59.77 1bqp s ILE 164 Cb -0.12 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 1bqp s ILE 164 CO -0.03 0.55 -0.12 0.00 0.00 0.00 0.00 174.94 175.34 1bqp s ALA 165 N 0.62 1.14 -0.08 9.38 0.00 -0.61 -1.11 121.76 131.10 1bqp s ALA 165 Ca -0.11 -1.08 -0.00 0.00 0.00 0.00 0.00 51.96 50.77 1bqp s ALA 165 Cb -0.16 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 22.94 1bqp s ALA 165 CO 0.03 0.07 -0.04 0.12 0.00 0.00 0.00 175.76 175.94 1bqp s PHE 166 N -1.78 1.00 -0.43 0.00 2.19 -0.32 -1.45 117.98 117.19 1bqp s PHE 166 Ca 0.01 -0.38 -0.16 0.00 0.33 0.00 0.00 56.93 56.72 1bqp s PHE 166 Cb -0.07 -0.93 0.03 0.00 -1.31 0.00 0.00 43.02 40.74 1bqp s PHE 166 CO 0.01 -0.36 0.39 1.21 1.83 0.00 0.00 175.22 178.31 1bqp s ASN 167 N 1.60 6.16 0.58 6.13 3.84 -0.47 -2.96 114.94 129.82 1bqp s ASN 167 Ca 0.01 -0.89 0.36 0.00 0.21 0.00 0.00 52.86 52.54 1bqp s ASN 167 Cb -0.13 -2.20 1.77 0.00 -0.55 0.00 0.00 41.25 40.15 1bqp s ASN 167 CO -0.05 -0.56 2.15 0.00 -2.79 0.00 0.00 177.10 175.85 1bqp h ALA 168 N 8.71 1.09 0.00 1.71 0.00 -1.87 0.48 119.26 129.39 1bqp h ALA 168 Ca -0.27 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.43 1bqp h ALA 168 Cb 1.11 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1bqp h ALA 168 CO 0.80 0.05 -0.83 0.00 0.00 0.00 0.00 179.25 179.26 1bqp h ALA 169 N 1.96 0.62 0.00 0.00 0.00 -1.91 -3.32 119.26 116.60 1bqp h ALA 169 Ca -0.00 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1bqp h ALA 169 Cb 0.27 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1bqp h ALA 169 CO 0.01 0.99 -1.00 0.25 0.00 0.00 0.00 179.25 179.49 1bqp n THR 170 N -3.59 0.00 -1.43 0.00 -2.24 -0.90 -4.98 114.28 101.14 1bqp n THR 170 Ca -0.01 -0.24 -0.15 0.00 -2.27 0.00 0.00 64.05 61.38 1bqp n THR 170 Cb 0.79 0.69 -0.06 0.00 -2.10 0.00 0.00 70.33 69.65 1bqp n THR 170 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1bqp n ASN 171 N -1.56 -4.81 -4.72 3.42 3.02 0.16 -4.97 115.26 105.81 1bqp n ASN 171 Ca 0.01 0.36 -0.37 0.00 -0.03 0.00 0.00 54.58 54.55 1bqp n ASN 171 Cb 0.26 -3.60 -0.07 0.00 -0.61 0.00 0.00 39.78 35.77 1bqp n ASN 171 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1bqp s VAL 172 N -2.53 5.26 -0.20 2.41 1.01 -1.13 -4.92 120.40 120.29 1bqp s VAL 172 Ca 0.00 0.66 -0.04 0.00 0.00 0.00 0.00 61.98 62.59 1bqp s VAL 172 Cb 0.00 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 1bqp s VAL 172 CO 0.00 0.35 -0.02 -0.22 0.00 0.00 0.00 175.10 175.21 1bqp s LEU 173 N 0.65 3.11 -0.05 3.92 2.96 -1.26 -1.37 118.68 126.64 1bqp s LEU 173 Ca 0.19 -0.27 0.05 0.00 -0.22 0.00 0.00 54.13 53.88 1bqp s LEU 173 Cb -0.14 -1.79 -0.02 0.00 0.50 0.00 0.00 46.19 44.75 1bqp s LEU 173 CO 0.06 0.04 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.03 1bqp s THR 174 N 1.13 2.49 -0.04 3.68 2.01 -0.53 -4.99 115.64 119.40 1bqp s THR 174 Ca 0.02 -0.92 0.06 0.00 0.31 0.00 0.00 61.69 61.16 1bqp s THR 174 Cb -0.14 -1.94 -0.01 0.00 0.01 0.00 0.00 72.50 70.42 1bqp s THR 174 CO 0.01 0.58 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.60 1bqp s VAL 175 N -0.43 1.77 -0.01 3.82 1.01 -1.26 -1.57 120.40 123.73 1bqp s VAL 175 Ca 0.04 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1bqp s VAL 175 Cb -0.12 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.78 1bqp s VAL 175 CO 0.02 0.50 0.00 -0.44 0.00 0.00 0.00 175.10 175.18 1bqp s SER 176 N -0.17 0.20 -0.03 3.32 0.01 -0.86 -5.02 113.70 111.16 1bqp s SER 176 Ca -0.01 -0.01 0.06 0.00 1.31 0.00 0.00 55.95 57.31 1bqp s SER 176 Cb -0.12 -0.09 -0.01 0.00 0.21 0.00 0.00 66.02 66.01 1bqp s SER 176 CO 0.02 -0.06 -0.21 -0.22 0.41 0.00 0.00 173.24 173.18 1bqp s LEU 177 N 0.57 2.02 -0.03 2.44 0.20 -1.26 -2.13 118.68 120.49 1bqp s LEU 177 Ca -0.05 -0.40 0.01 0.00 0.69 0.00 0.00 54.13 54.37 1bqp s LEU 177 Cb -0.08 -1.12 0.03 0.00 -0.43 0.00 0.00 46.19 44.59 1bqp s LEU 177 CO -0.01 0.24 -0.01 -0.89 -0.29 0.00 0.00 176.35 175.39 1bqp s THR 178 N -0.35 0.23 0.02 3.68 2.01 -0.21 -4.97 115.64 116.05 1bqp s THR 178 Ca 0.04 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.10 1bqp s THR 178 Cb -0.10 -0.32 -0.04 0.00 0.01 0.00 0.00 72.50 72.06 1bqp s THR 178 CO 0.00 0.16 0.10 -0.31 -0.69 0.00 0.00 174.62 173.88 1bqp s TYR 179 N 0.99 3.30 0.15 4.92 2.02 -1.26 -1.59 117.35 125.87 1bqp s TYR 179 Ca -0.10 0.19 -0.17 0.00 -0.37 0.00 0.00 57.07 56.62 1bqp s TYR 179 Cb -0.14 -1.72 0.05 0.00 -0.40 0.00 0.00 41.96 39.75 1bqp s TYR 179 CO -0.01 0.55 1.73 -1.35 -1.57 0.00 0.00 175.55 174.90 1bqp h PRO 180 N 3.81 0.18 -0.01 -1.71 0.11 -2.00 -3.50 132.00 128.87 1bqp h PRO 180 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1bqp h PRO 180 Cb 1.18 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1bqp h PRO 180 CO 0.65 0.12 0.00 0.09 -0.21 0.00 0.00 178.00 178.64