#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oop s LEU 2 N 0.00 3.97 0.07 0.99 2.96 -1.26 -4.93 118.68 120.48 1oop s LEU 2 Ca 0.00 1.34 -0.32 0.00 -0.22 0.00 0.00 54.13 54.94 1oop s LEU 2 Cb 0.00 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 43.04 1oop s LEU 2 CO 0.00 -0.98 1.85 -0.81 -1.32 0.00 0.00 176.35 175.08 1oop n PRO 3 N 7.10 2.62 -4.32 0.98 -0.04 -1.26 -4.96 135.00 135.12 1oop n PRO 3 Ca 0.14 0.96 -0.20 0.00 -0.04 0.00 0.00 63.50 64.36 1oop n PRO 3 Cb 0.46 -2.84 -0.11 0.00 -0.04 0.00 0.00 33.50 30.97 1oop n PRO 3 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1oop s THR 4 N 3.15 1.71 -0.11 0.52 2.01 -1.26 -5.16 115.64 116.49 1oop s THR 4 Ca 0.85 -2.01 -0.04 0.00 0.31 0.00 0.00 61.69 60.81 1oop s THR 4 Cb -0.53 -1.88 0.05 0.00 0.01 0.00 0.00 72.50 70.15 1oop s THR 4 CO 0.41 -0.45 0.09 -0.22 -0.69 0.00 0.00 174.62 173.76 1oop s LEU 5 N -2.90 0.19 0.26 4.42 0.20 -1.26 -5.14 118.68 114.45 1oop s LEU 5 Ca 0.17 -0.22 -0.30 0.00 0.69 0.00 0.00 54.13 54.48 1oop s LEU 5 Cb -0.03 -0.11 -0.09 0.00 -0.43 0.00 0.00 46.19 45.52 1oop s LEU 5 CO 0.06 -0.30 1.11 -0.44 -0.29 0.00 0.00 176.35 176.49 1oop s SER 6 N 2.18 7.24 0.26 3.68 0.01 -1.26 -5.04 113.70 120.77 1oop s SER 6 Ca 0.04 2.26 0.07 0.00 1.31 0.00 0.00 55.95 59.63 1oop s SER 6 Cb -0.14 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.43 1oop s SER 6 CO -0.06 -0.17 0.18 0.42 0.41 0.00 0.00 173.24 174.01 1oop s THR 7 N -0.99 4.21 0.32 1.44 -4.23 -1.26 -5.04 115.64 110.09 1oop s THR 7 Ca 0.46 -1.47 -0.28 0.00 -1.18 0.00 0.00 61.69 59.21 1oop s THR 7 Cb -0.32 -3.31 -0.13 0.00 1.34 0.00 0.00 72.50 70.09 1oop s THR 7 CO 0.40 -0.33 1.21 -2.65 -0.54 0.00 0.00 174.62 172.71 1oop n PRO 8 N -1.16 1.86 0.00 3.99 -0.02 -1.26 -1.74 135.00 136.67 1oop n PRO 8 Ca -0.07 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1oop n PRO 8 Cb 0.58 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1oop n PRO 8 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1oop n GLY 9 N 1.01 1.58 3.65 -1.23 0.00 -1.26 -5.06 105.19 103.88 1oop n GLY 9 Ca 0.07 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.64 1oop n GLY 9 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1oop n SER 10 N 0.00 2.19 0.00 1.61 7.64 -0.71 -2.14 113.62 122.20 1oop n SER 10 Ca 0.00 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1oop n SER 10 Cb 0.00 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 61.81 1oop n SER 10 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1oop n ASN 11 N 1.37 -3.15 -4.90 6.43 4.13 -1.26 -4.99 115.26 112.89 1oop n ASN 11 Ca 0.09 0.00 -0.29 0.00 1.68 0.00 0.00 54.58 56.06 1oop n ASN 11 Cb 0.33 -2.43 0.06 0.00 -1.54 0.00 0.00 39.78 36.19 1oop n ASN 11 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1oop s GLN 12 N -1.22 2.52 -0.34 3.52 -2.07 -0.91 -5.03 119.66 116.13 1oop s GLN 12 Ca 0.00 0.23 0.02 0.00 -1.82 0.00 0.00 55.36 53.79 1oop s GLN 12 Cb 0.00 -2.04 0.10 0.00 -1.09 0.00 0.00 33.01 29.98 1oop s GLN 12 CO 0.00 -1.20 0.08 0.12 -1.32 0.00 0.00 175.29 172.97 1oop s PHE 13 N -3.38 3.02 -0.21 9.60 5.36 -1.26 -5.08 117.98 126.03 1oop s PHE 13 Ca 0.59 -2.58 -0.13 0.00 -0.96 0.00 0.00 56.93 53.84 1oop s PHE 13 Cb -0.11 -2.50 -0.04 0.00 -0.34 0.00 0.00 43.02 40.03 1oop s PHE 13 CO 0.49 -0.91 0.29 -1.17 -1.46 0.00 0.00 175.22 172.46 1oop s LEU 14 N 1.07 4.15 0.62 6.12 2.96 -1.26 -4.99 118.68 127.36 1oop s LEU 14 Ca 0.11 0.35 0.35 0.00 -0.22 0.00 0.00 54.13 54.72 1oop s LEU 14 Cb -0.19 -2.33 2.03 0.00 0.50 0.00 0.00 46.19 46.20 1oop s LEU 14 CO -0.13 0.00 2.27 0.71 -1.32 0.00 0.00 176.35 177.88 1oop h THR 15 N 4.98 0.30 -0.43 3.68 1.35 -2.07 -1.34 112.91 119.37 1oop h THR 15 Ca -0.37 0.00 -0.09 0.00 -0.55 0.00 0.00 66.41 65.39 1oop h THR 15 Cb 1.16 0.96 -0.06 0.00 -1.73 0.00 0.00 68.15 68.49 1oop h THR 15 CO 0.70 0.00 0.06 -1.54 -0.25 0.00 0.00 175.52 174.49 1oop n SER 16 N -3.52 4.04 -4.76 5.36 3.41 -1.26 -5.01 113.62 111.89 1oop n SER 16 Ca -0.02 -3.21 -0.29 0.00 -0.26 0.00 0.00 58.87 55.09 1oop n SER 16 Cb 0.12 -0.63 0.13 0.00 -0.26 0.00 0.00 64.21 63.58 1oop n SER 16 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1oop s ASP 17 N -1.71 3.54 -0.39 4.04 1.47 -0.51 -5.04 116.67 118.07 1oop s ASP 17 Ca 0.47 1.17 0.03 0.00 1.18 0.00 0.00 52.55 55.41 1oop s ASP 17 Cb 0.39 -1.83 0.16 0.00 -0.34 0.00 0.00 42.92 41.30 1oop s ASP 17 CO 0.09 -2.55 0.38 -0.62 0.68 0.00 0.00 175.17 173.15 1oop s ASP 18 N -3.78 1.22 0.32 2.11 -1.08 -1.26 -5.08 116.67 109.12 1oop s ASP 18 Ca 0.63 -2.07 0.04 0.00 -0.52 0.00 0.00 52.55 50.64 1oop s ASP 18 Cb -0.16 0.31 -0.06 0.00 -1.46 0.00 0.00 42.92 41.55 1oop s ASP 18 CO 0.55 -0.22 0.03 -0.36 0.52 0.00 0.00 175.17 175.69 1oop s PHE 19 N 0.96 2.00 0.60 -5.34 0.08 -1.26 -5.14 117.98 109.88 1oop s PHE 19 Ca 0.23 -0.89 -0.08 0.00 0.12 0.00 0.00 56.93 56.30 1oop s PHE 19 Cb -0.10 -1.29 -0.01 0.00 -0.57 0.00 0.00 43.02 41.05 1oop s PHE 19 CO -0.06 0.09 0.95 -0.65 -0.10 0.00 0.00 175.22 175.44 1oop s GLN 20 N -3.85 3.16 -0.11 0.44 -0.21 -1.26 -5.09 119.66 112.74 1oop s GLN 20 Ca 0.35 0.29 -0.24 0.00 0.02 0.00 0.00 55.36 55.78 1oop s GLN 20 Cb 0.08 -2.20 0.06 0.00 1.00 0.00 0.00 33.01 31.95 1oop s GLN 20 CO 0.15 -0.65 0.59 -1.54 -2.12 0.00 0.00 175.29 171.71 1oop s SER 21 N -4.25 -0.57 0.57 5.90 1.04 -1.26 -5.15 113.70 109.98 1oop s SER 21 Ca 0.54 0.80 -0.20 0.00 0.48 0.00 0.00 55.95 57.56 1oop s SER 21 Cb -0.11 0.76 -0.04 0.00 0.10 0.00 0.00 66.02 66.74 1oop s SER 21 CO 0.48 -0.43 1.28 -2.16 0.98 0.00 0.00 173.24 173.39 1oop s PRO 22 N -0.65 3.04 -0.09 4.02 0.04 -1.26 -4.99 135.00 135.12 1oop s PRO 22 Ca -0.07 2.04 -0.17 0.00 0.04 0.00 0.00 61.00 62.84 1oop s PRO 22 Cb -0.03 -2.10 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 1oop s PRO 22 CO 0.06 -1.21 0.45 0.45 0.04 0.00 0.00 177.00 176.79 1oop s SER 23 N -1.26 6.71 0.49 6.66 0.15 -1.26 -4.95 113.70 120.24 1oop s SER 23 Ca 0.75 0.84 0.30 0.00 0.70 0.00 0.00 55.95 58.53 1oop s SER 23 Cb -0.36 -2.27 1.03 0.00 -1.71 0.00 0.00 66.02 62.71 1oop s SER 23 CO 0.41 0.08 1.86 0.00 1.20 0.00 0.00 173.24 176.79 1oop h ALA 24 N 6.23 1.00 -2.96 5.45 0.00 -2.07 -3.36 119.26 123.54 1oop h ALA 24 Ca -0.43 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 53.86 1oop h ALA 24 Cb 1.19 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.57 1oop h ALA 24 CO 0.72 0.00 -0.66 -1.64 0.00 0.00 0.00 179.25 177.67 1oop s MET 25 N -3.50 2.06 0.24 0.00 -1.94 -1.26 -5.09 119.30 109.81 1oop s MET 25 Ca 0.03 -2.98 -0.31 0.00 -1.71 0.00 0.00 55.69 50.72 1oop s MET 25 Cb 0.08 -2.96 -0.13 0.00 2.01 0.00 0.00 34.83 33.83 1oop s MET 25 CO 0.57 -1.29 1.55 -2.30 -0.01 0.00 0.00 175.02 173.55 1oop n PRO 26 N 2.31 2.40 -1.64 2.03 -0.02 -1.26 -2.64 135.00 136.18 1oop n PRO 26 Ca 0.20 0.86 -0.19 0.00 -2.02 0.00 0.00 63.50 62.35 1oop n PRO 26 Cb 0.37 -2.61 -0.07 0.00 -0.02 0.00 0.00 33.50 31.17 1oop n PRO 26 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1oop n GLN 27 N 2.59 -1.32 -2.14 -0.52 1.13 -1.26 -4.93 117.38 110.92 1oop n GLN 27 Ca 0.12 1.13 -0.42 0.00 -1.94 0.00 0.00 57.00 55.89 1oop n GLN 27 Cb 0.33 -5.45 -0.03 0.00 0.11 0.00 0.00 30.24 25.20 1oop n GLN 27 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 1oop s PHE 28 N -2.72 3.01 -0.66 1.08 2.19 -1.08 -4.94 117.98 114.85 1oop s PHE 28 Ca 0.00 0.81 -0.22 0.00 0.33 0.00 0.00 56.93 57.85 1oop s PHE 28 Cb 0.00 -3.72 0.08 0.00 -1.31 0.00 0.00 43.02 38.06 1oop s PHE 28 CO 0.00 -2.64 0.93 0.34 1.83 0.00 0.00 175.22 175.68 1oop s ASP 29 N 1.52 6.19 0.91 6.13 2.15 -1.26 -5.04 116.67 127.26 1oop s ASP 29 Ca 0.66 -1.09 -0.11 0.00 0.43 0.00 0.00 52.55 52.44 1oop s ASP 29 Cb -0.36 -2.40 0.14 0.00 -0.30 0.00 0.00 42.92 40.00 1oop s ASP 29 CO 0.29 -1.38 1.11 0.68 -0.17 0.00 0.00 175.17 175.70 1oop s VAL 30 N 3.81 2.46 -0.06 1.11 -7.23 -1.26 -4.97 120.40 114.28 1oop s VAL 30 Ca 0.21 0.15 -0.28 0.00 -1.81 0.00 0.00 61.98 60.25 1oop s VAL 30 Cb -0.18 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.37 1oop s VAL 30 CO 0.09 -0.20 0.92 0.28 -0.31 0.00 0.00 175.10 175.88 1oop s THR 31 N -2.73 4.89 0.19 5.32 -1.32 -1.26 -4.97 115.64 115.76 1oop s THR 31 Ca 0.65 1.89 -0.29 0.00 -1.21 0.00 0.00 61.69 62.73 1oop s THR 31 Cb -0.21 -4.24 -0.17 0.00 -1.51 0.00 0.00 72.50 66.37 1oop s THR 31 CO 0.58 0.13 0.58 -0.81 -2.21 0.00 0.00 174.62 172.88 1oop n PRO 32 N 4.29 0.06 -0.99 7.08 -0.04 -1.26 -4.92 135.00 139.23 1oop n PRO 32 Ca 0.05 0.02 -0.31 0.00 -0.04 0.00 0.00 63.50 63.22 1oop n PRO 32 Cb 0.50 -1.07 0.13 0.00 -0.04 0.00 0.00 33.50 33.02 1oop n PRO 32 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1oop s GLU 33 N -0.96 1.64 0.00 0.54 2.02 -1.26 -5.03 118.70 115.64 1oop s GLU 33 Ca 0.65 1.37 0.00 0.00 0.02 0.00 0.00 54.97 57.02 1oop s GLU 33 Cb -0.94 -1.81 0.00 0.00 0.10 0.00 0.00 34.13 31.48 1oop s GLU 33 CO 0.56 -2.14 0.00 -0.12 0.02 0.00 0.00 175.26 173.58 1oop n MET 34 N -3.85 0.00 0.00 1.61 0.00 -1.26 -5.11 117.12 108.51 1oop n MET 34 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.81 1oop n MET 34 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.74 1oop n MET 34 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1oop n ASP 35 N -0.15 0.00 -4.80 6.12 -0.08 -1.26 -5.14 116.55 111.24 1oop n ASP 35 Ca 0.00 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.91 1oop n ASP 35 Cb 0.00 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.40 1oop n ASP 35 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1oop s ILE 36 N 0.00 5.25 0.85 5.18 1.01 -1.26 -5.05 121.20 127.18 1oop s ILE 36 Ca 0.00 0.58 -0.12 0.00 0.00 0.00 0.00 60.65 61.11 1oop s ILE 36 Cb 0.00 -3.61 0.10 0.00 0.01 0.00 0.00 42.46 38.96 1oop s ILE 36 CO 0.00 0.51 1.16 -2.65 0.00 0.00 0.00 174.94 173.96 1oop n PRO 37 N 2.59 -0.05 -2.62 2.79 -0.02 -1.26 -4.00 135.00 132.44 1oop n PRO 37 Ca -0.14 0.06 -0.06 0.00 -2.02 0.00 0.00 63.50 61.34 1oop n PRO 37 Cb 0.53 -2.40 0.02 0.00 -0.02 0.00 0.00 33.50 31.62 1oop n PRO 37 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1oop n GLY 38 N 0.49 0.46 3.77 -1.23 0.00 -1.26 -5.02 105.19 102.39 1oop n GLY 38 Ca 0.13 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 1oop n GLY 38 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1oop s GLN 39 N -5.08 3.35 -0.01 1.61 0.74 -1.26 -5.03 119.66 113.99 1oop s GLN 39 Ca 0.12 1.73 0.06 0.00 0.05 0.00 0.00 55.36 57.31 1oop s GLN 39 Cb -0.05 -2.09 -0.02 0.00 1.10 0.00 0.00 33.01 31.95 1oop s GLN 39 CO 0.14 -0.87 -0.20 0.08 -0.55 0.00 0.00 175.29 173.89 1oop s VAL 40 N -1.66 1.58 -0.01 1.34 1.01 -1.26 -5.04 120.40 116.37 1oop s VAL 40 Ca 0.72 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1oop s VAL 40 Cb -0.27 -1.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 1oop s VAL 40 CO 0.31 0.41 0.00 0.59 0.00 0.00 0.00 175.10 176.41 1oop n ASN 41 N 2.48 4.66 -3.88 3.32 3.02 -1.26 -5.05 115.26 118.55 1oop n ASN 41 Ca -0.15 -0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.24 1oop n ASN 41 Cb 0.53 0.41 -0.15 0.00 -0.61 0.00 0.00 39.78 39.96 1oop n ASN 41 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1oop s ASN 42 N -3.28 0.39 0.54 6.41 2.47 -1.26 -5.02 114.94 115.20 1oop s ASN 42 Ca -0.00 -0.04 0.28 0.00 0.42 0.00 0.00 52.86 53.51 1oop s ASN 42 Cb 0.00 -0.13 1.44 0.00 -1.45 0.00 0.00 41.25 41.11 1oop s ASN 42 CO 0.03 -0.02 1.95 -0.07 -3.72 0.00 0.00 177.10 175.26 1oop h LEU 43 N 6.62 0.00 -2.62 3.21 3.38 -2.02 0.21 115.31 124.09 1oop h LEU 43 Ca -0.34 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 1oop h LEU 43 Cb 1.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1oop h LEU 43 CO 0.49 0.00 -0.01 0.24 0.09 0.00 0.00 178.44 179.25 1oop h MET 44 N 0.00 0.00 -0.14 1.13 2.86 -1.97 0.16 114.93 116.97 1oop h MET 44 Ca 0.32 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.90 1oop h MET 44 Cb 1.29 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.94 1oop h MET 44 CO -0.00 0.01 -0.19 0.93 1.06 0.00 0.00 176.91 178.72 1oop h GLU 45 N 0.00 0.23 0.09 1.72 5.08 -1.00 -1.81 114.58 118.88 1oop h GLU 45 Ca -0.00 -0.06 -0.22 0.00 -1.00 0.00 0.00 59.36 58.08 1oop h GLU 45 Cb 0.04 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 29.29 1oop h GLU 45 CO 0.00 0.42 -0.90 0.82 -1.00 0.00 0.00 179.01 178.35 1oop h ILE 46 N 0.21 1.40 0.00 3.13 2.04 -0.83 -3.17 117.51 120.29 1oop h ILE 46 Ca 0.04 -2.36 0.00 0.00 1.00 0.00 0.00 64.86 63.54 1oop h ILE 46 Cb 0.47 2.82 0.00 0.00 -0.74 0.00 0.00 36.82 39.37 1oop h ILE 46 CO 0.03 0.69 0.00 0.00 0.00 0.00 0.00 178.15 178.87 1oop n ALA 47 N -2.65 1.48 1.21 1.87 0.00 -0.86 -1.95 120.51 119.62 1oop n ALA 47 Ca -0.13 0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.49 1oop n ALA 47 Cb 0.83 -1.29 0.39 0.00 0.00 0.00 0.00 19.45 19.38 1oop n ALA 47 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1oop n GLU 48 N -1.96 1.78 -3.95 0.00 1.02 -0.70 -1.13 120.64 115.70 1oop n GLU 48 Ca 0.02 -1.17 -0.35 0.00 -0.02 0.00 0.00 57.16 55.64 1oop n GLU 48 Cb 0.15 -1.42 -0.08 0.00 -0.02 0.00 0.00 31.44 30.07 1oop n GLU 48 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1oop s VAL 49 N -1.82 5.06 0.31 2.62 1.01 -0.82 -4.62 120.40 122.14 1oop s VAL 49 Ca 0.34 0.06 -0.30 0.00 0.00 0.00 0.00 61.98 62.07 1oop s VAL 49 Cb 0.18 -3.26 -0.12 0.00 0.00 0.00 0.00 36.38 33.19 1oop s VAL 49 CO 0.28 0.51 1.55 0.47 0.00 0.00 0.00 175.10 177.91 1oop n ASP 50 N 3.04 3.73 -4.14 3.32 8.00 -1.25 -4.53 116.55 124.72 1oop n ASP 50 Ca -0.17 1.16 -0.16 0.00 0.71 0.00 0.00 54.79 56.33 1oop n ASP 50 Cb 0.53 -1.58 -0.12 0.00 -0.02 0.00 0.00 41.12 39.93 1oop n ASP 50 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1oop s SER 51 N 0.34 1.38 -0.15 -2.24 1.04 -0.70 -4.87 113.70 108.51 1oop s SER 51 Ca 0.62 -0.64 -0.29 0.00 0.48 0.00 0.00 55.95 56.11 1oop s SER 51 Cb -0.51 -0.01 -0.01 0.00 0.10 0.00 0.00 66.02 65.60 1oop s SER 51 CO 0.52 -0.16 1.09 -0.69 0.98 0.00 0.00 173.24 174.98 1oop s VAL 52 N -1.57 4.58 -0.08 5.02 1.01 -1.26 -1.16 120.40 126.93 1oop s VAL 52 Ca -0.03 1.88 -0.24 0.00 0.00 0.00 0.00 61.98 63.60 1oop s VAL 52 Cb -0.08 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 1oop s VAL 52 CO 0.01 -0.08 0.71 -0.69 0.00 0.00 0.00 175.10 175.05 1oop s VAL 53 N 2.70 5.03 -1.41 2.92 1.01 0.47 -4.90 120.40 126.21 1oop s VAL 53 Ca 0.49 1.46 -0.12 0.00 0.00 0.00 0.00 61.98 63.81 1oop s VAL 53 Cb -0.19 -4.05 0.08 0.00 0.00 0.00 0.00 36.38 32.22 1oop s VAL 53 CO 0.14 0.22 2.16 -0.81 0.00 0.00 0.00 175.10 176.81 1oop n PRO 54 N 3.96 3.18 -0.21 2.72 -0.04 -1.26 -4.54 135.00 138.80 1oop n PRO 54 Ca -0.01 -2.90 -0.01 0.00 -0.04 0.00 0.00 63.50 60.55 1oop n PRO 54 Cb 0.51 -3.13 0.22 0.00 -0.04 0.00 0.00 33.50 31.05 1oop n PRO 54 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1oop h VAL 55 N 3.83 1.21 -0.95 0.52 2.07 -1.80 -3.07 116.25 118.07 1oop h VAL 55 Ca 0.53 -0.47 -0.53 0.00 0.82 0.00 0.00 66.70 67.05 1oop h VAL 55 Cb 0.61 0.19 -0.15 0.00 -1.52 0.00 0.00 31.29 30.42 1oop h VAL 55 CO 1.79 0.22 0.91 -3.20 0.02 0.00 0.00 177.57 177.31 1oop n ASN 56 N -4.38 6.80 -2.28 0.57 5.15 0.13 -4.73 115.26 116.51 1oop n ASN 56 Ca 0.08 -3.10 -0.23 0.00 -0.60 0.00 0.00 54.58 50.73 1oop n ASN 56 Cb 0.07 -1.29 -0.03 0.00 -0.53 0.00 0.00 39.78 38.00 1oop n ASN 56 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1oop n ASN 57 N 1.33 6.44 -4.81 1.20 2.04 -1.16 -3.96 115.26 116.35 1oop n ASN 57 Ca 0.53 -3.14 -0.37 0.00 -0.44 0.00 0.00 54.58 51.15 1oop n ASN 57 Cb 0.51 -1.18 -0.06 0.00 -2.53 0.00 0.00 39.78 36.51 1oop n ASN 57 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 1oop s THR 58 N -2.17 4.57 0.00 5.53 -4.23 -1.26 -4.75 115.64 113.32 1oop s THR 58 Ca 0.51 1.34 0.00 0.00 -1.18 0.00 0.00 61.69 62.35 1oop s THR 58 Cb 0.34 -3.92 0.00 0.00 1.34 0.00 0.00 72.50 70.26 1oop s THR 58 CO -0.14 0.34 0.00 -1.84 -0.54 0.00 0.00 174.62 172.44 1oop n GLU 59 N 1.10 0.00 0.11 3.99 -0.00 -1.26 0.16 120.64 124.74 1oop n GLU 59 Ca -0.05 0.00 0.12 0.00 -0.00 0.00 0.00 57.16 57.24 1oop n GLU 59 Cb 0.50 0.00 0.23 0.00 -0.00 0.00 0.00 31.44 32.18 1oop n GLU 59 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1oop h GLY 60 N 0.00 0.00 2.00 -1.84 0.00 -1.98 -3.33 103.07 97.93 1oop h GLY 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1oop h GLY 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.54 177.04 1oop h LYS 61 N 0.00 0.00 0.00 4.80 1.57 -0.60 -3.30 116.57 119.04 1oop h LYS 61 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1oop h LYS 61 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1oop h LYS 61 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 179.45 180.43 1oop n VAL 62 N -3.07 1.37 -1.60 0.50 3.14 -1.14 -0.18 118.33 117.35 1oop n VAL 62 Ca 0.02 0.34 0.06 0.00 -2.96 0.00 0.00 64.34 61.81 1oop n VAL 62 Cb 0.40 -1.34 0.16 0.00 -1.06 0.00 0.00 33.84 32.00 1oop n VAL 62 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 1oop n MET 63 N -1.34 1.27 -4.09 1.45 2.81 -1.24 -4.96 117.12 111.01 1oop n MET 63 Ca 0.00 -2.90 -0.14 0.00 -1.81 0.00 0.00 57.70 52.85 1oop n MET 63 Cb 0.00 -1.36 -0.12 0.00 -0.71 0.00 0.00 33.22 31.04 1oop n MET 63 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1oop s SER 64 N -2.92 1.06 0.43 7.83 0.15 0.74 -4.97 113.70 116.01 1oop s SER 64 Ca 0.35 -0.56 0.26 0.00 0.70 0.00 0.00 55.95 56.70 1oop s SER 64 Cb 0.34 0.01 1.44 0.00 -1.71 0.00 0.00 66.02 66.10 1oop s SER 64 CO -0.06 -0.17 1.79 -0.29 1.20 0.00 0.00 173.24 175.72 1oop h ILE 65 N 4.45 0.00 0.00 6.45 6.09 -1.95 0.34 117.51 132.89 1oop h ILE 65 Ca -0.37 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.12 1oop h ILE 65 Cb 1.20 0.59 -0.00 0.00 0.47 0.00 0.00 36.82 39.07 1oop h ILE 65 CO 0.41 0.00 -0.01 -0.08 -3.07 0.00 0.00 178.15 175.40 1oop h GLU 66 N 0.00 0.00 -0.03 2.19 4.81 -1.94 -2.02 114.58 117.59 1oop h GLU 66 Ca 0.00 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1oop h GLU 66 Cb 0.13 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 1oop h GLU 66 CO 0.00 0.01 0.03 0.00 -0.73 0.00 0.00 179.01 178.32 1oop h ALA 67 N 1.99 1.67 -0.00 2.92 0.00 -0.95 -1.11 119.26 123.77 1oop h ALA 67 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1oop h ALA 67 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1oop h ALA 67 CO 0.00 -0.05 -0.28 0.66 0.00 0.00 0.00 179.25 179.58 1oop n TYR 68 N -3.99 0.00 -3.67 0.00 4.01 -0.76 -0.69 117.16 112.06 1oop n TYR 68 Ca -0.02 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.33 1oop n TYR 68 Cb 0.12 -0.25 -0.12 0.00 -0.31 0.00 0.00 39.34 38.79 1oop n TYR 68 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 1oop s GLN 69 N -2.79 2.88 -0.09 -0.72 -2.07 -0.42 -4.52 119.66 111.93 1oop s GLN 69 Ca 0.18 -1.03 -0.30 0.00 -1.82 0.00 0.00 55.36 52.40 1oop s GLN 69 Cb 0.19 -3.59 -0.02 0.00 -1.09 0.00 0.00 33.01 28.50 1oop s GLN 69 CO 0.59 -0.62 1.03 0.42 -1.32 0.00 0.00 175.29 175.39 1oop s ILE 70 N 1.51 4.72 0.13 3.63 1.01 -0.38 -4.69 121.20 127.13 1oop s ILE 70 Ca 0.01 1.98 -0.28 0.00 0.00 0.00 0.00 60.65 62.37 1oop s ILE 70 Cb -0.19 -4.28 -0.07 0.00 0.01 0.00 0.00 42.46 37.94 1oop s ILE 70 CO 0.05 0.02 0.87 -2.84 0.00 0.00 0.00 174.94 173.04 1oop s PRO 71 N 1.95 4.65 -0.07 2.79 0.02 -1.26 -1.34 135.00 141.74 1oop s PRO 71 Ca 0.50 1.31 -0.06 0.00 0.02 0.00 0.00 61.00 62.76 1oop s PRO 71 Cb -0.19 -3.34 0.02 0.00 0.02 0.00 0.00 34.50 31.01 1oop s PRO 71 CO 0.19 0.35 0.18 0.54 -0.33 0.00 0.00 177.00 177.93 1oop s VAL 72 N -0.42 -0.01 0.30 3.83 0.11 -0.14 -4.98 120.40 119.08 1oop s VAL 72 Ca 0.42 0.03 -0.14 0.00 -2.93 0.00 0.00 61.98 59.36 1oop s VAL 72 Cb -0.23 -0.27 0.01 0.00 -1.53 0.00 0.00 36.38 34.37 1oop s VAL 72 CO 0.28 0.01 0.60 0.00 -3.33 0.00 0.00 175.10 172.66 1oop s GLN 73 N 0.32 1.80 0.28 1.54 1.03 -1.26 -0.83 119.66 122.54 1oop s GLN 73 Ca -0.02 -1.29 -0.29 0.00 0.04 0.00 0.00 55.36 53.80 1oop s GLN 73 Cb -0.03 0.53 -0.10 0.00 0.03 0.00 0.00 33.01 33.45 1oop s GLN 73 CO -0.01 -0.79 1.19 0.45 -2.54 0.00 0.00 175.29 173.58 1oop s SER 74 N -3.03 7.07 0.08 12.60 0.15 -1.18 -4.39 113.70 125.00 1oop s SER 74 Ca 0.19 2.41 0.02 0.00 0.70 0.00 0.00 55.95 59.27 1oop s SER 74 Cb -0.03 -2.63 -0.03 0.00 -1.71 0.00 0.00 66.02 61.61 1oop s SER 74 CO 0.11 -0.31 -0.07 0.20 1.20 0.00 0.00 173.24 174.36 1oop s ASN 75 N -0.60 1.05 0.00 5.45 0.01 -1.26 -4.99 114.94 114.59 1oop s ASN 75 Ca 0.47 -0.81 0.22 0.00 -0.71 0.00 0.00 52.86 52.03 1oop s ASN 75 Cb -0.35 0.07 0.98 0.00 0.41 0.00 0.00 41.25 42.36 1oop s ASN 75 CO 0.44 -0.35 1.67 -0.81 -1.51 0.00 0.00 177.10 176.55 1oop n PRO 76 N 0.61 1.44 -4.51 -0.60 -0.04 -1.26 -4.87 135.00 125.76 1oop n PRO 76 Ca -0.17 -0.65 -0.24 0.00 -0.04 0.00 0.00 63.50 62.40 1oop n PRO 76 Cb 0.58 -1.38 -0.11 0.00 -0.04 0.00 0.00 33.50 32.56 1oop n PRO 76 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1oop s THR 77 N -1.90 1.77 -0.09 0.52 -4.23 -1.26 -5.15 115.64 105.30 1oop s THR 77 Ca 0.33 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 1oop s THR 77 Cb 0.17 -2.73 -0.03 0.00 1.34 0.00 0.00 72.50 71.25 1oop s THR 77 CO 0.26 -0.12 -0.07 0.20 -0.54 0.00 0.00 174.62 174.35 1oop s ASN 78 N -3.57 4.59 -0.93 3.99 0.01 -1.26 -4.69 114.94 113.08 1oop s ASN 78 Ca 0.33 -0.07 -0.00 0.00 -0.71 0.00 0.00 52.86 52.40 1oop s ASN 78 Cb 0.06 -1.30 0.00 0.00 0.41 0.00 0.00 41.25 40.43 1oop s ASN 78 CO 0.15 0.31 0.06 0.61 -1.51 0.00 0.00 177.10 176.73 1oop n GLY 79 N 2.57 -0.07 3.77 0.66 0.00 -1.25 -5.01 105.19 105.87 1oop n GLY 79 Ca -0.18 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.11 1oop n GLY 79 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1oop s SER 80 N -2.56 5.51 0.07 1.61 0.01 -1.26 -4.33 113.70 112.75 1oop s SER 80 Ca 0.03 2.12 -0.26 0.00 1.31 0.00 0.00 55.95 59.15 1oop s SER 80 Cb -0.01 -2.57 -0.06 0.00 0.21 0.00 0.00 66.02 63.59 1oop s SER 80 CO 0.04 -1.36 0.81 -1.58 0.41 0.00 0.00 173.24 171.56 1oop s GLN 81 N -3.56 4.55 -0.09 12.44 0.74 -1.26 -1.87 119.66 130.60 1oop s GLN 81 Ca 0.71 1.16 -0.10 0.00 0.05 0.00 0.00 55.36 57.18 1oop s GLN 81 Cb -0.23 -3.36 -0.28 0.00 1.10 0.00 0.00 33.01 30.25 1oop s GLN 81 CO 0.32 0.29 0.51 0.28 -0.55 0.00 0.00 175.29 176.14 1oop h VAL 82 N 4.03 0.81 -2.35 1.34 2.07 -0.85 -3.48 116.25 117.81 1oop h VAL 82 Ca -0.44 -2.41 0.21 0.00 0.82 0.00 0.00 66.70 64.88 1oop h VAL 82 Cb 1.21 2.63 -0.05 0.00 -1.52 0.00 0.00 31.29 33.55 1oop h VAL 82 CO 0.71 0.85 0.64 0.72 0.02 0.00 0.00 177.57 180.51 1oop s PHE 83 N -2.55 0.03 -0.28 1.57 -0.12 -1.23 -4.89 117.98 110.50 1oop s PHE 83 Ca -0.20 -0.35 -0.25 0.00 -0.05 0.00 0.00 56.93 56.08 1oop s PHE 83 Cb 0.06 0.66 0.15 0.00 -0.63 0.00 0.00 43.02 43.25 1oop s PHE 83 CO 0.80 -0.75 1.19 0.20 -0.05 0.00 0.00 175.22 176.60 1oop s GLY 84 N -3.38 0.04 -0.01 1.99 0.00 -1.26 -2.46 107.32 102.24 1oop s GLY 84 Ca 0.21 2.98 -0.29 0.00 0.00 0.00 0.00 44.72 47.62 1oop s GLY 84 CO 0.03 1.85 0.66 -0.11 0.00 0.00 0.00 173.10 175.53 1oop s PHE 85 N 0.11 -0.63 0.61 1.90 -0.12 -0.39 -5.00 117.98 114.46 1oop s PHE 85 Ca 0.05 0.96 -0.11 0.00 -0.05 0.00 0.00 56.93 57.78 1oop s PHE 85 Cb -0.05 0.44 -0.04 0.00 -0.63 0.00 0.00 43.02 42.74 1oop s PHE 85 CO -0.10 -0.66 1.02 -1.25 -0.05 0.00 0.00 175.22 174.18 1oop s PRO 86 N -1.72 3.60 -1.25 1.99 0.04 -1.26 -1.12 135.00 135.28 1oop s PRO 86 Ca -0.09 0.72 -0.13 0.00 0.04 0.00 0.00 61.00 61.54 1oop s PRO 86 Cb -0.00 -2.10 0.15 0.00 0.04 0.00 0.00 34.50 32.59 1oop s PRO 86 CO 0.05 -0.55 1.61 -0.11 0.04 0.00 0.00 177.00 178.05 1oop n LEU 87 N -2.71 5.59 -3.19 -3.56 7.94 -0.45 -4.63 117.00 115.99 1oop n LEU 87 Ca 0.06 -4.42 -0.22 0.00 -1.11 0.00 0.00 56.01 50.31 1oop n LEU 87 Cb 0.54 -1.60 -0.05 0.00 0.53 0.00 0.00 43.42 42.83 1oop n LEU 87 CO 0.58 0.83 -0.21 0.41 -1.11 0.00 0.00 177.39 177.88 1oop n THR 88 N 4.54 0.01 -0.19 1.96 -1.04 -1.26 -3.89 114.28 114.41 1oop n THR 88 Ca 0.40 -4.44 0.21 0.00 -2.04 0.00 0.00 64.05 58.18 1oop n THR 88 Cb 0.41 -1.29 0.58 0.00 -1.82 0.00 0.00 70.33 68.22 1oop n THR 88 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1oop h PRO 89 N 3.57 0.26 0.07 -2.82 0.13 -1.91 0.10 132.00 131.40 1oop h PRO 89 Ca 0.10 -0.02 -0.28 0.00 -0.87 0.00 0.00 66.00 64.93 1oop h PRO 89 Cb 0.87 -0.06 0.02 0.00 0.13 0.00 0.00 31.00 31.96 1oop h PRO 89 CO 0.53 0.17 -1.14 0.78 -0.23 0.00 0.00 178.00 178.11 1oop h GLY 90 N 0.27 0.66 0.00 1.56 0.00 -1.91 -3.16 103.07 100.48 1oop h GLY 90 Ca 0.42 -1.28 0.00 0.00 0.00 0.00 0.00 47.33 46.47 1oop h GLY 90 CO -0.11 1.13 -1.43 0.00 0.00 0.00 0.00 176.54 176.13 1oop n ALA 91 N -2.64 2.50 -1.84 3.60 0.00 -0.77 -4.64 120.51 116.72 1oop n ALA 91 Ca -0.11 -0.27 -0.40 0.00 0.00 0.00 0.00 53.44 52.65 1oop n ALA 91 Cb 0.94 -0.38 -0.05 0.00 0.00 0.00 0.00 19.45 19.95 1oop n ALA 91 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1oop s ASN 92 N -3.19 7.35 0.44 0.00 2.47 -0.05 -4.87 114.94 117.10 1oop s ASN 92 Ca -0.03 2.15 0.10 0.00 0.42 0.00 0.00 52.86 55.49 1oop s ASN 92 Cb 0.07 -2.62 0.97 0.00 -1.45 0.00 0.00 41.25 38.22 1oop s ASN 92 CO 0.46 -0.10 2.06 0.77 -3.72 0.00 0.00 177.10 176.58 1oop h SER 93 N 4.24 0.36 -0.06 -4.21 4.64 -1.94 0.28 113.55 116.85 1oop h SER 93 Ca -0.46 -0.01 0.02 0.00 -0.47 0.00 0.00 61.79 60.87 1oop h SER 93 Cb 1.21 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 1oop h SER 93 CO 0.69 0.26 -0.03 0.58 -0.87 0.00 0.00 176.83 177.45 1oop h VAL 94 N 0.42 0.89 0.00 0.95 2.07 -1.92 -3.35 116.25 115.31 1oop h VAL 94 Ca 0.14 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.37 1oop h VAL 94 Cb 0.06 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 1oop h VAL 94 CO -0.03 0.00 -2.12 0.18 0.02 0.00 0.00 177.57 175.62 1oop n LEU 95 N -5.15 0.24 0.00 2.57 4.77 -1.00 -4.10 117.00 114.32 1oop n LEU 95 Ca -0.05 0.11 0.02 0.00 -0.03 0.00 0.00 56.01 56.06 1oop n LEU 95 Cb 0.08 0.34 0.13 0.00 -2.33 0.00 0.00 43.42 41.64 1oop n LEU 95 CO 0.29 0.38 0.37 -0.46 -1.33 0.00 0.00 177.39 176.64 1oop n ASN 96 N -2.75 0.00 -0.32 -1.43 0.23 0.94 -2.47 115.26 109.46 1oop n ASN 96 Ca -0.24 -0.13 0.04 0.00 -0.53 0.00 0.00 54.58 53.71 1oop n ASN 96 Cb 1.03 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 38.77 1oop n ASN 96 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1oop n ARG 97 N -1.00 0.29 -1.52 -3.83 5.12 -1.26 -3.68 116.66 110.77 1oop n ARG 97 Ca 0.03 -1.03 -0.29 0.00 -1.93 0.00 0.00 57.85 54.63 1oop n ARG 97 Cb 0.01 -1.15 0.15 0.00 -1.16 0.00 0.00 32.46 30.31 1oop n ARG 97 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1oop s THR 98 N -0.67 1.98 0.19 0.55 -4.23 -1.03 -4.65 115.64 107.78 1oop s THR 98 Ca 0.10 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.49 1oop s THR 98 Cb 0.07 -2.74 0.12 0.00 1.34 0.00 0.00 72.50 71.28 1oop s THR 98 CO 0.10 0.00 1.74 -0.07 -0.54 0.00 0.00 174.62 175.85 1oop h LEU 99 N -1.58 0.15 -0.18 4.79 4.07 -1.90 0.38 115.31 121.05 1oop h LEU 99 Ca -0.50 0.07 -0.00 0.00 0.08 0.00 0.00 57.88 57.53 1oop h LEU 99 Cb 1.32 0.07 -0.01 0.00 1.08 0.00 0.00 40.66 43.12 1oop h LEU 99 CO 0.59 0.11 0.11 0.25 -1.08 0.00 0.00 178.44 178.41 1oop h LEU 100 N 0.34 0.22 -0.90 1.67 5.85 -1.86 -2.20 115.31 118.43 1oop h LEU 100 Ca 0.27 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.87 1oop h LEU 100 Cb 0.32 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1oop h LEU 100 CO -0.29 0.20 0.08 1.23 -0.34 0.00 0.00 178.44 179.33 1oop h GLY 101 N 0.21 0.97 1.10 3.75 0.00 -1.45 -0.93 103.07 106.73 1oop h GLY 101 Ca 0.06 -0.61 -0.07 0.00 0.00 0.00 0.00 47.33 46.72 1oop h GLY 101 CO -0.01 0.57 0.17 0.83 0.00 0.00 0.00 176.54 178.10 1oop h GLU 102 N 0.85 1.11 -0.36 4.80 4.39 0.00 -1.27 114.58 124.10 1oop h GLU 102 Ca 0.18 -0.26 -0.16 0.00 0.34 0.00 0.00 59.36 59.46 1oop h GLU 102 Cb 0.38 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1oop h GLU 102 CO 0.01 0.97 -0.38 0.82 -1.16 0.00 0.00 179.01 179.27 1oop h ILE 103 N 1.05 1.28 -0.51 3.13 2.04 -1.18 -2.60 117.51 120.72 1oop h ILE 103 Ca 0.22 -1.56 0.07 0.00 1.00 0.00 0.00 64.86 64.59 1oop h ILE 103 Cb 0.36 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 1oop h ILE 103 CO 0.00 0.52 0.34 -0.07 0.00 0.00 0.00 178.15 178.94 1oop h LEU 104 N 0.70 0.38 0.00 1.44 4.07 -0.80 -1.01 115.31 120.08 1oop h LEU 104 Ca 0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.02 1oop h LEU 104 Cb 0.98 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.64 1oop h LEU 104 CO 0.09 0.24 0.00 0.59 -1.08 0.00 0.00 178.44 178.29 1oop n ASN 105 N -4.47 0.00 -0.94 -0.43 3.02 -0.51 -0.80 115.26 111.13 1oop n ASN 105 Ca 0.07 -0.05 0.12 0.00 -0.03 0.00 0.00 54.58 54.69 1oop n ASN 105 Cb 0.27 -0.25 0.22 0.00 -0.61 0.00 0.00 39.78 39.41 1oop n ASN 105 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1oop n TYR 106 N -1.25 0.21 -4.42 3.10 4.01 -0.38 -3.91 117.16 114.52 1oop n TYR 106 Ca 0.09 -0.10 -0.20 0.00 -0.16 0.00 0.00 57.90 57.53 1oop n TYR 106 Cb 0.14 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.06 1oop n TYR 106 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1oop s TYR 107 N -1.79 1.86 -0.12 -0.72 1.51 0.02 -0.42 117.35 117.68 1oop s TYR 107 Ca 0.34 -1.00 0.14 0.00 -1.01 0.00 0.00 57.07 55.54 1oop s TYR 107 Cb 0.21 -1.18 -0.20 0.00 -0.11 0.00 0.00 41.96 40.68 1oop s TYR 107 CO 0.31 -0.06 0.12 0.00 -1.11 0.00 0.00 175.55 174.80 1oop n ALA 108 N -0.62 1.84 -2.51 3.71 0.00 0.15 -4.72 120.51 118.36 1oop n ALA 108 Ca -0.02 -0.85 -0.18 0.00 0.00 0.00 0.00 53.44 52.39 1oop n ALA 108 Cb 0.66 -0.17 -0.11 0.00 0.00 0.00 0.00 19.45 19.83 1oop n ALA 108 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1oop s HIS 109 N -2.52 1.40 0.16 0.00 3.76 -0.56 -1.38 115.29 116.15 1oop s HIS 109 Ca -0.07 -0.54 -0.07 0.00 -0.15 0.00 0.00 55.06 54.23 1oop s HIS 109 Cb 0.06 -0.74 -0.02 0.00 1.11 0.00 0.00 32.58 32.99 1oop s HIS 109 CO 0.62 0.14 0.23 1.67 -0.85 0.00 0.00 174.74 176.55 1oop s TRP 110 N -2.03 0.54 -0.24 1.40 1.48 -0.12 -1.15 118.94 118.83 1oop s TRP 110 Ca 0.08 -0.90 -0.26 0.00 -1.06 0.00 0.00 56.10 53.95 1oop s TRP 110 Cb -0.06 -0.17 0.10 0.00 -1.16 0.00 0.00 33.47 32.19 1oop s TRP 110 CO 0.03 -0.68 0.91 0.45 -4.06 0.00 0.00 176.95 173.60 1oop s SER 111 N -3.00 -0.54 0.00 -2.66 0.15 -0.59 -0.51 113.70 106.55 1oop s SER 111 Ca 0.20 0.93 0.00 0.00 0.70 0.00 0.00 55.95 57.79 1oop s SER 111 Cb 0.04 0.91 0.00 0.00 -1.71 0.00 0.00 66.02 65.26 1oop s SER 111 CO 0.01 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1oop n GLY 112 N 1.97 1.24 3.89 9.45 0.00 -1.26 -0.53 105.19 119.94 1oop n GLY 112 Ca -0.13 -1.77 -0.28 0.00 0.00 0.00 0.00 46.02 43.85 1oop n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1oop s SER 113 N 0.00 6.07 0.03 1.61 0.01 -1.26 -4.33 113.70 115.83 1oop s SER 113 Ca 0.00 0.10 0.05 0.00 1.31 0.00 0.00 55.95 57.41 1oop s SER 113 Cb 0.00 -1.77 -0.02 0.00 0.21 0.00 0.00 66.02 64.44 1oop s SER 113 CO 0.00 0.09 -0.15 -0.63 0.41 0.00 0.00 173.24 172.96 1oop s ILE 114 N -1.66 1.20 -0.13 1.44 1.01 -0.93 -1.17 121.20 120.97 1oop s ILE 114 Ca 0.33 -0.99 -0.00 0.00 0.00 0.00 0.00 60.65 59.98 1oop s ILE 114 Cb -0.11 -1.07 -0.02 0.00 0.01 0.00 0.00 42.46 41.27 1oop s ILE 114 CO 0.26 0.07 -0.12 -0.54 0.00 0.00 0.00 174.94 174.61 1oop s LYS 115 N -1.07 3.39 -0.19 2.79 1.02 0.55 -0.27 119.74 125.97 1oop s LYS 115 Ca 0.03 -0.67 -0.01 0.00 0.02 0.00 0.00 55.97 55.34 1oop s LYS 115 Cb -0.08 -2.65 -0.00 0.00 -0.52 0.00 0.00 37.83 34.58 1oop s LYS 115 CO 0.01 0.23 -0.11 -0.51 -0.92 0.00 0.00 175.35 174.05 1oop s LEU 116 N 0.32 2.61 -0.12 3.17 1.43 -0.49 -2.33 118.68 123.27 1oop s LEU 116 Ca -0.10 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 52.53 1oop s LEU 116 Cb -0.16 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 1oop s LEU 116 CO 0.05 0.03 -0.06 -0.89 0.23 0.00 0.00 176.35 175.71 1oop s THR 117 N 1.17 3.74 -0.17 5.49 2.01 -0.59 -0.98 115.64 126.31 1oop s THR 117 Ca 0.02 -0.44 -0.03 0.00 0.31 0.00 0.00 61.69 61.55 1oop s THR 117 Cb -0.14 -2.58 -0.02 0.00 0.01 0.00 0.00 72.50 69.76 1oop s THR 117 CO -0.04 0.54 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.02 1oop s PHE 118 N -0.14 2.96 -0.24 4.92 0.08 0.16 -0.31 117.98 125.40 1oop s PHE 118 Ca 0.02 -0.57 -0.04 0.00 0.12 0.00 0.00 56.93 56.46 1oop s PHE 118 Cb -0.13 -1.99 0.00 0.00 -0.57 0.00 0.00 43.02 40.33 1oop s PHE 118 CO 0.03 -0.24 -0.02 1.41 -0.10 0.00 0.00 175.22 176.29 1oop s MET 119 N 0.75 3.21 -0.21 0.44 1.75 0.49 -1.18 119.30 124.56 1oop s MET 119 Ca -0.02 -0.74 -0.29 0.00 -1.25 0.00 0.00 55.69 53.39 1oop s MET 119 Cb -0.15 -3.08 0.01 0.00 2.84 0.00 0.00 34.83 34.45 1oop s MET 119 CO 0.02 -0.29 1.03 0.12 -0.65 0.00 0.00 175.02 175.25 1oop s PHE 120 N 1.45 3.37 -0.47 4.11 5.36 -0.84 -1.15 117.98 129.82 1oop s PHE 120 Ca 0.04 1.49 0.03 0.00 -0.96 0.00 0.00 56.93 57.53 1oop s PHE 120 Cb -0.15 -3.26 0.52 0.00 -0.34 0.00 0.00 43.02 39.79 1oop s PHE 120 CO -0.02 -0.44 1.74 0.00 -1.46 0.00 0.00 175.22 175.04 1oop n GLY 122 N -0.99 -0.19 3.64 0.00 0.00 -1.26 -4.41 105.19 101.98 1oop n GLY 122 Ca 0.52 -1.44 -0.23 0.00 0.00 0.00 0.00 46.02 44.87 1oop n GLY 122 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1oop s SER 123 N -1.18 4.54 0.62 1.61 1.04 -1.26 -5.00 113.70 114.07 1oop s SER 123 Ca 0.00 -0.62 0.28 0.00 0.48 0.00 0.00 55.95 56.09 1oop s SER 123 Cb 0.00 -0.85 1.54 0.00 0.10 0.00 0.00 66.02 66.81 1oop s SER 123 CO 0.00 0.01 1.86 0.00 0.98 0.00 0.00 173.24 176.09 1oop h ALA 124 N 2.02 1.31 -0.01 5.32 0.00 -1.99 -0.66 119.26 125.24 1oop h ALA 124 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1oop h ALA 124 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1oop h ALA 124 CO 0.60 -0.31 -0.45 -1.33 0.00 0.00 0.00 179.25 177.76 1oop n MET 125 N -2.79 0.54 -3.18 0.00 2.81 -1.26 -4.92 117.12 108.32 1oop n MET 125 Ca -0.02 -0.36 -0.32 0.00 -1.81 0.00 0.00 57.70 55.19 1oop n MET 125 Cb 0.36 -1.49 -0.06 0.00 -0.71 0.00 0.00 33.22 31.32 1oop n MET 125 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1oop s ALA 126 N -2.71 3.40 0.21 3.04 0.00 -0.26 -4.41 121.76 121.03 1oop s ALA 126 Ca 0.18 -0.08 -0.02 0.00 0.00 0.00 0.00 51.96 52.04 1oop s ALA 126 Cb 0.18 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.60 1oop s ALA 126 CO 0.62 0.34 0.15 0.95 0.00 0.00 0.00 175.76 177.83 1oop s THR 127 N -1.99 0.00 0.00 0.00 -4.23 -0.86 -4.85 115.64 103.71 1oop s THR 127 Ca 0.52 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 1oop s THR 127 Cb -0.10 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.25 1oop s THR 127 CO 0.20 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.89 1oop n GLY 128 N -0.28 3.00 3.14 3.99 0.00 -1.26 -2.23 105.19 111.55 1oop n GLY 128 Ca 0.02 -0.68 -0.26 0.00 0.00 0.00 0.00 46.02 45.10 1oop n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oop s LYS 129 N -2.00 1.80 0.21 1.61 1.02 -1.26 -0.79 119.74 120.33 1oop s LYS 129 Ca 0.00 -0.62 0.11 0.00 0.02 0.00 0.00 55.97 55.48 1oop s LYS 129 Cb 0.00 -1.57 -0.04 0.00 -0.52 0.00 0.00 37.83 35.70 1oop s LYS 129 CO 0.00 0.25 -0.22 -0.06 -0.92 0.00 0.00 175.35 174.40 1oop s PHE 130 N 0.03 2.18 -0.25 3.18 0.08 0.49 0.07 117.98 123.77 1oop s PHE 130 Ca -0.04 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.63 1oop s PHE 130 Cb -0.11 -1.05 0.04 0.00 -0.57 0.00 0.00 43.02 41.32 1oop s PHE 130 CO 0.02 0.51 -0.09 -1.17 -0.10 0.00 0.00 175.22 174.39 1oop s LEU 131 N -2.86 3.19 -0.17 -0.37 0.20 0.41 -0.62 118.68 118.47 1oop s LEU 131 Ca 0.22 -1.05 -0.09 0.00 0.69 0.00 0.00 54.13 53.90 1oop s LEU 131 Cb -0.07 -1.61 -0.05 0.00 -0.43 0.00 0.00 46.19 44.04 1oop s LEU 131 CO 0.10 -0.14 0.14 -0.76 -0.29 0.00 0.00 176.35 175.39 1oop s LEU 132 N 1.24 4.28 0.06 -0.68 1.43 -0.60 -1.16 118.68 123.24 1oop s LEU 132 Ca -0.03 0.33 -0.04 0.00 -1.03 0.00 0.00 54.13 53.36 1oop s LEU 132 Cb -0.17 -2.08 -0.02 0.00 0.03 0.00 0.00 46.19 43.94 1oop s LEU 132 CO -0.06 0.27 0.06 0.00 0.23 0.00 0.00 176.35 176.86 1oop s ALA 133 N -0.21 0.15 -0.04 4.21 0.00 0.17 -1.51 121.76 124.53 1oop s ALA 133 Ca 0.11 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.25 1oop s ALA 133 Cb -0.11 0.31 -0.00 0.00 0.00 0.00 0.00 23.12 23.32 1oop s ALA 133 CO 0.01 -0.38 -0.14 -0.47 0.00 0.00 0.00 175.76 174.77 1oop s TYR 134 N -3.44 1.40 -0.18 0.00 5.04 0.14 -1.49 117.35 118.82 1oop s TYR 134 Ca 0.02 -0.38 -0.01 0.00 -2.44 0.00 0.00 57.07 54.26 1oop s TYR 134 Cb 0.04 -0.96 0.05 0.00 0.35 0.00 0.00 41.96 41.44 1oop s TYR 134 CO -0.08 -0.13 -0.01 -1.12 -1.34 0.00 0.00 175.55 172.87 1oop s SER 135 N 0.09 2.84 0.84 4.32 0.01 0.09 -1.78 113.70 120.11 1oop s SER 135 Ca -0.03 -0.73 -0.13 0.00 1.31 0.00 0.00 55.95 56.37 1oop s SER 135 Cb -0.10 -0.75 0.07 0.00 0.21 0.00 0.00 66.02 65.45 1oop s SER 135 CO 0.01 -0.25 0.94 -2.65 0.41 0.00 0.00 173.24 171.71 1oop n PRO 136 N 4.96 -0.01 -0.66 12.44 -0.02 -1.26 -0.36 135.00 150.08 1oop n PRO 136 Ca -0.10 0.07 -0.24 0.00 -2.02 0.00 0.00 63.50 61.21 1oop n PRO 136 Cb 0.47 -2.23 0.21 0.00 -0.02 0.00 0.00 33.50 31.94 1oop n PRO 136 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1oop n PRO 137 N -2.77 -3.16 0.00 0.52 -0.04 -1.26 -4.59 135.00 123.69 1oop n PRO 137 Ca 0.11 -1.35 0.00 0.00 -0.04 0.00 0.00 63.50 62.23 1oop n PRO 137 Cb 0.51 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 1oop n PRO 137 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1oop n GLY 138 N -3.70 3.29 2.40 0.55 0.00 -1.26 -4.99 105.19 101.49 1oop n GLY 138 Ca 0.12 -0.92 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 1oop n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oop n ALA 139 N 0.00 0.65 -1.00 4.61 0.00 -1.26 -5.12 120.51 118.39 1oop n ALA 139 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 53.44 52.10 1oop n ALA 139 Cb 0.00 0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1oop n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oop n GLY 140 N 0.73 0.07 3.91 0.00 0.00 -1.26 -5.02 105.19 103.61 1oop n GLY 140 Ca 0.04 -1.41 -0.32 0.00 0.00 0.00 0.00 46.02 44.34 1oop n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oop s ALA 141 N -3.62 3.92 0.23 4.61 0.00 -1.26 -4.94 121.76 120.70 1oop s ALA 141 Ca 0.00 -0.72 -0.30 0.00 0.00 0.00 0.00 51.96 50.94 1oop s ALA 141 Cb 0.00 -1.96 -0.09 0.00 0.00 0.00 0.00 23.12 21.08 1oop s ALA 141 CO 0.00 0.76 1.26 -1.25 0.00 0.00 0.00 175.76 176.52 1oop s PRO 142 N -2.48 4.44 0.00 0.00 0.04 -1.26 -4.90 135.00 130.83 1oop s PRO 142 Ca 0.36 2.01 0.11 0.00 0.04 0.00 0.00 61.00 63.52 1oop s PRO 142 Cb -0.13 -3.19 -0.07 0.00 0.04 0.00 0.00 34.50 31.16 1oop s PRO 142 CO 0.26 -0.15 0.56 0.25 0.04 0.00 0.00 177.00 177.96 1oop n THR 143 N 2.14 0.00 -4.09 1.26 -2.24 -1.26 -4.89 114.28 105.20 1oop n THR 143 Ca 0.04 -0.30 -0.08 0.00 -2.27 0.00 0.00 64.05 61.44 1oop n THR 143 Cb 0.43 1.06 -0.10 0.00 -2.10 0.00 0.00 70.33 69.62 1oop n THR 143 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1oop s THR 144 N -1.81 0.17 0.33 4.28 -4.23 -1.26 -5.00 115.64 108.12 1oop s THR 144 Ca 0.06 -1.79 0.06 0.00 -1.18 0.00 0.00 61.69 58.84 1oop s THR 144 Cb 0.09 -1.71 0.12 0.00 1.34 0.00 0.00 72.50 72.33 1oop s THR 144 CO 0.38 -0.76 1.82 -0.09 -0.54 0.00 0.00 174.62 175.44 1oop h ARG 145 N 3.00 0.36 -0.02 3.99 2.43 -1.95 -1.29 114.38 120.91 1oop h ARG 145 Ca -0.34 -0.11 -0.05 0.00 -0.81 0.00 0.00 59.98 58.67 1oop h ARG 145 Cb 1.17 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 1oop h ARG 145 CO 0.62 0.54 -0.24 -0.22 -1.51 0.00 0.00 179.97 179.16 1oop h LYS 146 N 0.34 0.03 0.04 0.20 3.64 -1.96 -0.62 116.57 118.23 1oop h LYS 146 Ca 0.06 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.32 1oop h LYS 146 Cb 0.51 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1oop h LYS 146 CO 0.03 0.27 -0.48 0.93 -2.27 0.00 0.00 179.45 177.93 1oop h GLU 147 N 0.03 0.26 -0.39 1.90 5.08 -1.71 -3.29 114.58 116.45 1oop h GLU 147 Ca 0.00 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1oop h GLU 147 Cb 0.43 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1oop h GLU 147 CO 0.03 1.07 0.24 0.00 -1.00 0.00 0.00 179.01 179.36 1oop h ALA 148 N 0.20 0.50 -0.14 3.43 0.00 -1.11 -2.82 119.26 119.32 1oop h ALA 148 Ca -0.07 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1oop h ALA 148 Cb 1.27 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1oop h ALA 148 CO 0.09 -0.01 0.34 1.98 0.00 0.00 0.00 179.25 181.65 1oop h MET 149 N 0.52 0.00 -0.00 0.00 1.85 -1.22 -0.27 114.93 115.81 1oop h MET 149 Ca 0.14 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.23 1oop h MET 149 Cb -0.01 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.02 1oop h MET 149 CO -0.03 0.00 0.00 1.28 -0.40 0.00 0.00 176.91 177.76 1oop n LEU 150 N -3.23 0.00 0.00 3.39 4.77 -1.06 -4.82 117.00 116.06 1oop n LEU 150 Ca 0.01 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1oop n LEU 150 Cb 0.43 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1oop n LEU 150 CO 0.19 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 1oop n GLY 151 N 0.91 6.80 3.64 -0.72 0.00 -0.11 -5.06 105.19 110.64 1oop n GLY 151 Ca 0.20 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 1oop n GLY 151 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1oop s THR 152 N 1.09 3.84 0.08 2.61 2.01 -0.73 -4.89 115.64 119.64 1oop s THR 152 Ca 0.00 0.96 -0.06 0.00 0.31 0.00 0.00 61.69 62.91 1oop s THR 152 Cb 0.00 -3.79 -0.02 0.00 0.01 0.00 0.00 72.50 68.71 1oop s THR 152 CO 0.00 -0.27 0.11 -1.38 -0.69 0.00 0.00 174.62 172.39 1oop s HIS 153 N 4.66 0.30 0.02 4.92 -0.00 -1.26 0.25 115.29 124.18 1oop s HIS 153 Ca 0.67 -0.78 0.04 0.00 -0.00 0.00 0.00 55.06 54.99 1oop s HIS 153 Cb -0.24 -0.19 -0.02 0.00 -0.00 0.00 0.00 32.58 32.13 1oop s HIS 153 CO 0.26 -0.48 -0.12 0.08 -0.00 0.00 0.00 174.74 174.48 1oop s VAL 154 N -3.89 0.93 -0.40 -5.38 1.01 -0.57 -5.00 120.40 107.12 1oop s VAL 154 Ca 0.06 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 1oop s VAL 154 Cb 0.06 -0.83 0.08 0.00 0.00 0.00 0.00 36.38 35.69 1oop s VAL 154 CO -0.10 0.06 0.20 -0.63 0.00 0.00 0.00 175.10 174.63 1oop s ILE 155 N -0.65 3.80 -0.03 2.22 1.01 -1.26 -1.56 121.20 124.72 1oop s ILE 155 Ca 0.01 -1.56 -0.27 0.00 0.00 0.00 0.00 60.65 58.84 1oop s ILE 155 Cb -0.06 -3.37 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 1oop s ILE 155 CO 0.00 -0.49 0.85 0.86 0.00 0.00 0.00 174.94 176.17 1oop s TRP 156 N 1.33 3.62 -0.18 3.97 -0.00 0.21 -4.92 118.94 122.97 1oop s TRP 156 Ca 0.03 1.49 -0.00 0.00 -0.00 0.00 0.00 56.10 57.62 1oop s TRP 156 Cb -0.22 -2.98 0.01 0.00 -0.00 0.00 0.00 33.47 30.27 1oop s TRP 156 CO 0.00 0.03 -0.15 0.34 -0.00 0.00 0.00 176.95 177.18 1oop s ASP 157 N 0.91 3.59 0.27 5.86 2.15 -1.26 -0.38 116.67 127.81 1oop s ASP 157 Ca 0.45 -0.52 -0.29 0.00 0.43 0.00 0.00 52.55 52.62 1oop s ASP 157 Cb -0.19 -1.57 -0.09 0.00 -0.30 0.00 0.00 42.92 40.76 1oop s ASP 157 CO 0.23 0.03 1.12 -0.69 -0.17 0.00 0.00 175.17 175.70 1oop s VAL 158 N 1.13 3.46 0.00 1.11 1.01 0.03 -4.95 120.40 122.20 1oop s VAL 158 Ca 0.01 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.42 1oop s VAL 158 Cb -0.14 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1oop s VAL 158 CO -0.05 0.33 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1oop n GLY 159 N 1.30 1.18 0.29 4.51 0.00 -1.26 -4.50 105.19 106.72 1oop n GLY 159 Ca -0.00 -0.37 0.09 0.00 0.00 0.00 0.00 46.02 45.74 1oop n GLY 159 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1oop h LEU 160 N 0.00 -0.21 -8.35 0.99 4.07 -1.98 -3.31 115.31 106.51 1oop h LEU 160 Ca 0.00 0.20 -0.54 0.00 0.08 0.00 0.00 57.88 57.62 1oop h LEU 160 Cb 0.00 0.32 -0.08 0.00 1.08 0.00 0.00 40.66 41.98 1oop h LEU 160 CO 0.00 -0.18 1.08 0.00 -1.08 0.00 0.00 178.44 178.26 1oop s GLN 161 N -6.04 3.19 0.25 1.13 0.00 -1.26 -4.86 119.66 112.07 1oop s GLN 161 Ca -0.13 -0.25 -0.05 0.00 -0.00 0.00 0.00 55.36 54.93 1oop s GLN 161 Cb 0.24 -4.23 0.34 0.00 0.00 0.00 0.00 33.01 29.36 1oop s GLN 161 CO 0.76 -2.16 1.87 0.66 0.00 0.00 0.00 175.29 176.41 1oop h SER 162 N 10.11 0.91 -2.54 12.60 4.64 -1.90 -3.45 113.55 133.93 1oop h SER 162 Ca -0.26 0.01 -0.54 0.00 -0.47 0.00 0.00 61.79 60.53 1oop h SER 162 Cb 1.05 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.93 1oop h SER 162 CO 1.28 0.59 -0.47 -0.44 -0.87 0.00 0.00 176.83 176.93 1oop s SER 163 N -5.83 6.31 -0.04 4.97 0.01 -1.26 -1.98 113.70 115.88 1oop s SER 163 Ca -0.13 0.16 -0.11 0.00 1.31 0.00 0.00 55.95 57.18 1oop s SER 163 Cb 0.19 -1.89 0.02 0.00 0.21 0.00 0.00 66.02 64.54 1oop s SER 163 CO 0.80 0.04 0.26 0.00 0.41 0.00 0.00 173.24 174.75 1oop s VAL 165 N -0.77 3.86 -0.25 0.00 1.01 -1.26 -0.66 120.40 122.33 1oop s VAL 165 Ca -0.09 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 61.46 1oop s VAL 165 Cb -0.04 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 1oop s VAL 165 CO 0.02 0.46 0.08 -0.22 0.00 0.00 0.00 175.10 175.44 1oop s LEU 166 N 0.71 3.49 -0.19 3.92 2.96 -0.15 -4.99 118.68 124.43 1oop s LEU 166 Ca -0.01 -0.19 -0.07 0.00 -0.22 0.00 0.00 54.13 53.64 1oop s LEU 166 Cb -0.14 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 1oop s LEU 166 CO 0.02 -0.03 0.04 0.00 -1.32 0.00 0.00 176.35 175.06 1oop s ILE 168 N 0.60 5.19 0.71 0.00 1.01 0.63 -4.99 121.20 124.35 1oop s ILE 168 Ca 0.02 -0.87 -0.15 0.00 0.00 0.00 0.00 60.65 59.65 1oop s ILE 168 Cb -0.13 -4.10 0.03 0.00 0.01 0.00 0.00 42.46 38.27 1oop s ILE 168 CO 0.02 -0.54 1.18 -2.16 0.00 0.00 0.00 174.94 173.44 1oop s PRO 169 N 1.78 2.32 -0.48 2.79 0.04 -1.26 -2.19 135.00 138.01 1oop s PRO 169 Ca 0.06 1.65 -0.23 0.00 0.04 0.00 0.00 61.00 62.52 1oop s PRO 169 Cb -0.22 -1.87 0.03 0.00 0.04 0.00 0.00 34.50 32.48 1oop s PRO 169 CO 0.08 -1.67 0.80 -0.46 0.04 0.00 0.00 177.00 175.79 1oop s TRP 170 N -2.09 2.96 -0.38 0.56 -0.11 -1.26 -4.87 118.94 113.75 1oop s TRP 170 Ca 0.72 0.05 0.02 0.00 1.22 0.00 0.00 56.10 58.11 1oop s TRP 170 Cb -0.27 -3.73 0.11 0.00 -1.50 0.00 0.00 33.47 28.09 1oop s TRP 170 CO 0.44 -1.06 0.13 0.42 -4.62 0.00 0.00 176.95 172.26 1oop s ILE 171 N 3.35 1.68 0.10 5.86 1.01 -1.26 -5.05 121.20 126.89 1oop s ILE 171 Ca 0.28 -2.22 -0.00 0.00 0.00 0.00 0.00 60.65 58.72 1oop s ILE 171 Cb -0.13 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 1oop s ILE 171 CO 0.21 -0.72 -0.01 -0.94 0.00 0.00 0.00 174.94 173.48 1oop s SER 172 N 0.85 0.67 0.00 3.58 1.04 -1.26 -5.00 113.70 113.58 1oop s SER 172 Ca 0.13 -1.08 0.26 0.00 0.48 0.00 0.00 55.95 55.74 1oop s SER 172 Cb -0.21 0.19 0.75 0.00 0.10 0.00 0.00 66.02 66.86 1oop s SER 172 CO -0.11 -0.60 1.57 0.00 0.98 0.00 0.00 173.24 175.08 1oop n GLN 173 N -0.02 0.42 -0.10 4.02 0.00 -1.26 -4.71 117.38 115.73 1oop n GLN 173 Ca -0.10 -0.22 -0.12 0.00 0.00 0.00 0.00 57.00 56.55 1oop n GLN 173 Cb 0.62 -1.50 -0.04 0.00 0.00 0.00 0.00 30.24 29.32 1oop n GLN 173 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1oop n THR 174 N -1.10 1.50 0.00 -0.39 -2.24 -1.26 -5.02 114.28 105.78 1oop n THR 174 Ca 0.09 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 1oop n THR 174 Cb 0.33 -2.27 0.00 0.00 -2.10 0.00 0.00 70.33 66.29 1oop n THR 174 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1oop n HIS 175 N -4.42 0.00 -4.35 4.78 8.25 -1.26 -5.04 115.22 113.18 1oop n HIS 175 Ca -0.21 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.07 1oop n HIS 175 Cb 0.58 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.54 1oop n HIS 175 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1oop s TYR 176 N 0.00 0.85 0.25 4.41 1.51 -1.26 -4.63 117.35 118.47 1oop s TYR 176 Ca 0.00 -0.20 0.08 0.00 -1.01 0.00 0.00 57.07 55.94 1oop s TYR 176 Cb 0.00 -0.54 -0.04 0.00 -0.11 0.00 0.00 41.96 41.28 1oop s TYR 176 CO 0.00 -0.01 0.11 1.03 -1.11 0.00 0.00 175.55 175.57 1oop s ARG 177 N -0.41 2.68 0.33 -0.62 0.52 0.33 -4.92 118.95 116.86 1oop s ARG 177 Ca 0.02 -1.17 -0.18 0.00 -0.52 0.00 0.00 55.73 53.89 1oop s ARG 177 Cb -0.04 -2.42 -0.09 0.00 0.52 0.00 0.00 34.95 32.91 1oop s ARG 177 CO -0.00 0.40 0.80 0.71 0.02 0.00 0.00 175.30 177.22 1oop s TYR 178 N -2.16 3.42 -0.23 -0.53 2.02 -1.26 -0.94 117.35 117.67 1oop s TYR 178 Ca 0.32 1.37 0.21 0.00 -0.37 0.00 0.00 57.07 58.60 1oop s TYR 178 Cb -0.08 -2.64 0.38 0.00 -0.40 0.00 0.00 41.96 39.22 1oop s TYR 178 CO 0.23 0.09 1.60 -0.39 -1.57 0.00 0.00 175.55 175.51 1oop h VAL 179 N 2.11 0.38 0.00 0.71 -1.51 -1.51 -3.33 116.25 113.09 1oop h VAL 179 Ca -0.48 -1.42 0.00 0.00 -1.23 0.00 0.00 66.70 63.57 1oop h VAL 179 Cb 1.18 2.09 0.00 0.00 -2.13 0.00 0.00 31.29 32.43 1oop h VAL 179 CO 0.64 0.20 0.00 0.52 -1.23 0.00 0.00 177.57 177.71 1oop n VAL 180 N -3.18 0.98 -1.66 7.19 0.31 -1.26 -3.27 118.33 117.44 1oop n VAL 180 Ca 0.03 0.24 -0.00 0.00 -0.01 0.00 0.00 64.34 64.60 1oop n VAL 180 Cb 0.58 -1.08 -0.00 0.00 -0.91 0.00 0.00 33.84 32.42 1oop n VAL 180 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1oop n MET 181 N -1.36 -0.56 -4.15 5.55 0.00 -1.25 -4.96 117.12 110.38 1oop n MET 181 Ca 0.04 0.87 -0.15 0.00 -0.00 0.00 0.00 57.70 58.45 1oop n MET 181 Cb 0.09 -1.60 -0.13 0.00 0.00 0.00 0.00 33.22 31.58 1oop n MET 181 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1oop s ASP 182 N -0.17 0.81 0.45 6.12 -1.08 -1.26 -5.02 116.67 116.51 1oop s ASP 182 Ca -0.02 -0.30 0.25 0.00 -0.52 0.00 0.00 52.55 51.96 1oop s ASP 182 Cb 0.00 -0.03 0.96 0.00 -1.46 0.00 0.00 42.92 42.39 1oop s ASP 182 CO 0.11 -0.04 1.84 -0.33 0.52 0.00 0.00 175.17 177.27 1oop h GLU 183 N 5.34 0.00 -0.02 4.34 4.39 -1.99 -2.54 114.58 124.11 1oop h GLU 183 Ca -0.32 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.30 1oop h GLU 183 Cb 1.19 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 1oop h GLU 183 CO 0.46 0.20 -0.36 -0.92 -1.16 0.00 0.00 179.01 177.23 1oop h TYR 184 N 0.00 0.03 -0.39 4.33 5.03 -2.05 -2.89 116.97 121.04 1oop h TYR 184 Ca -0.00 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.29 1oop h TYR 184 Cb 0.72 -0.01 -0.00 0.00 1.55 0.00 0.00 36.73 38.99 1oop h TYR 184 CO 0.00 0.39 0.00 2.41 -1.32 0.00 0.00 178.16 179.65 1oop n THR 185 N -4.10 2.49 -1.65 1.81 -1.04 -0.97 -5.01 114.28 105.82 1oop n THR 185 Ca -0.02 -1.71 -0.45 0.00 -2.04 0.00 0.00 64.05 59.83 1oop n THR 185 Cb 0.41 -0.27 -0.02 0.00 -1.82 0.00 0.00 70.33 68.63 1oop n THR 185 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1oop n ALA 186 N -0.09 0.63 -0.09 2.41 0.00 -1.09 -4.82 120.51 117.46 1oop n ALA 186 Ca 0.24 0.40 0.07 0.00 0.00 0.00 0.00 53.44 54.15 1oop n ALA 186 Cb 1.02 -2.18 0.17 0.00 0.00 0.00 0.00 19.45 18.46 1oop n ALA 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oop n GLY 187 N 1.61 2.25 1.12 0.00 0.00 -1.25 -4.78 105.19 104.14 1oop n GLY 187 Ca 0.10 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1oop n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oop n GLY 188 N 0.76 -1.74 3.00 -0.02 0.00 -1.26 -4.57 105.19 101.36 1oop n GLY 188 Ca 0.13 -1.96 -0.19 0.00 0.00 0.00 0.00 46.02 44.00 1oop n GLY 188 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1oop s TYR 189 N 0.00 0.85 -0.16 1.61 2.02 0.51 -1.34 117.35 120.84 1oop s TYR 189 Ca 0.00 -0.19 -0.04 0.00 -0.37 0.00 0.00 57.07 56.46 1oop s TYR 189 Cb 0.00 -0.60 -0.03 0.00 -0.40 0.00 0.00 41.96 40.93 1oop s TYR 189 CO 0.00 -0.07 -0.02 0.42 -1.57 0.00 0.00 175.55 174.31 1oop s ILE 190 N 0.07 4.02 0.09 2.71 1.01 -0.27 -0.73 121.20 128.10 1oop s ILE 190 Ca -0.01 -0.31 -0.05 0.00 0.00 0.00 0.00 60.65 60.28 1oop s ILE 190 Cb -0.07 -2.77 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 1oop s ILE 190 CO 0.00 0.48 0.11 0.42 0.00 0.00 0.00 174.94 175.95 1oop s THR 191 N 0.44 0.15 0.01 2.92 -4.23 -0.56 -1.26 115.64 113.12 1oop s THR 191 Ca -0.02 -1.52 0.00 0.00 -1.18 0.00 0.00 61.69 58.97 1oop s THR 191 Cb -0.14 -1.57 -0.01 0.00 1.34 0.00 0.00 72.50 72.13 1oop s THR 191 CO 0.02 -0.69 -0.02 0.00 -0.54 0.00 0.00 174.62 173.39 1oop s TRP 193 N -0.47 0.41 0.05 0.00 0.52 -0.31 -0.10 118.94 119.03 1oop s TRP 193 Ca -0.04 -0.91 -0.30 0.00 0.02 0.00 0.00 56.10 54.87 1oop s TRP 193 Cb -0.03 -0.30 -0.05 0.00 -1.15 0.00 0.00 33.47 31.93 1oop s TRP 193 CO -0.00 -0.40 1.14 0.71 0.02 0.00 0.00 176.95 178.42 1oop s TYR 194 N -3.67 3.50 -0.08 -1.98 1.51 -0.78 -0.45 117.35 115.40 1oop s TYR 194 Ca 0.04 1.42 -0.08 0.00 -1.01 0.00 0.00 57.07 57.44 1oop s TYR 194 Cb 0.06 -3.34 -0.28 0.00 -0.11 0.00 0.00 41.96 38.29 1oop s TYR 194 CO -0.09 -0.92 0.53 0.37 -1.11 0.00 0.00 175.55 174.33 1oop h GLN 195 N 6.74 0.32 0.00 -0.62 5.75 -0.65 -3.33 115.11 123.33 1oop h GLN 195 Ca -0.42 -0.55 0.00 0.00 -0.15 0.00 0.00 58.65 57.54 1oop h GLN 195 Cb 1.22 0.20 0.00 0.00 1.07 0.00 0.00 27.48 29.97 1oop h GLN 195 CO 0.79 1.24 0.00 0.25 -2.65 0.00 0.00 178.83 178.47 1oop n THR 196 N -3.52 0.00 -3.51 2.39 -2.24 -0.96 -4.86 114.28 101.58 1oop n THR 196 Ca -0.28 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.42 1oop n THR 196 Cb 1.06 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.27 1oop n THR 196 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1oop s ASN 197 N 1.00 -0.35 -0.75 3.42 3.04 -1.26 -4.64 114.94 115.40 1oop s ASN 197 Ca 0.00 0.01 -0.27 0.00 0.04 0.00 0.00 52.86 52.64 1oop s ASN 197 Cb 0.00 0.36 0.03 0.00 -1.54 0.00 0.00 41.25 40.10 1oop s ASN 197 CO 0.00 -0.58 1.29 -0.63 -3.04 0.00 0.00 177.10 174.13 1oop s ILE 198 N -3.02 3.74 -0.09 -5.21 -1.09 -1.26 -4.10 121.20 110.17 1oop s ILE 198 Ca 0.05 0.34 -0.11 0.00 -2.23 0.00 0.00 60.65 58.70 1oop s ILE 198 Cb -0.01 -4.93 -0.05 0.00 -1.58 0.00 0.00 42.46 35.90 1oop s ILE 198 CO -0.08 -1.86 0.27 -0.69 -1.23 0.00 0.00 174.94 171.34 1oop s VAL 199 N 5.69 5.29 0.01 2.92 1.01 -0.95 -4.22 120.40 130.15 1oop s VAL 199 Ca 0.35 0.50 -0.08 0.00 0.00 0.00 0.00 61.98 62.76 1oop s VAL 199 Cb -0.08 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1oop s VAL 199 CO 0.14 0.55 0.15 0.54 0.00 0.00 0.00 175.10 176.47 1oop s VAL 200 N -0.65 0.09 0.80 2.92 0.11 -1.26 -2.03 120.40 120.38 1oop s VAL 200 Ca 0.18 -0.73 -0.10 0.00 -2.93 0.00 0.00 61.98 58.41 1oop s VAL 200 Cb -0.14 -0.52 0.11 0.00 -1.53 0.00 0.00 36.38 34.30 1oop s VAL 200 CO 0.07 -0.40 1.14 -2.16 -3.33 0.00 0.00 175.10 170.42 1oop s PRO 201 N -1.58 1.69 0.47 1.54 0.04 -1.26 -4.99 135.00 130.91 1oop s PRO 201 Ca -0.13 -0.28 -0.23 0.00 0.04 0.00 0.00 61.00 60.40 1oop s PRO 201 Cb -0.06 -2.04 -0.07 0.00 0.04 0.00 0.00 34.50 32.36 1oop s PRO 201 CO 0.01 -1.66 1.24 0.00 0.04 0.00 0.00 177.00 176.63 1oop s ALA 202 N -3.49 2.99 0.00 8.56 0.00 -1.26 -2.74 121.76 125.82 1oop s ALA 202 Ca 0.65 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.70 1oop s ALA 202 Cb -0.09 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1oop s ALA 202 CO 0.48 -0.87 0.00 -0.25 0.00 0.00 0.00 175.76 175.12 1oop n ASP 203 N -0.51 -2.84 -3.99 0.00 10.43 -1.26 -5.04 116.55 113.34 1oop n ASP 203 Ca 0.07 0.00 -0.20 0.00 2.57 0.00 0.00 54.79 57.23 1oop n ASP 203 Cb 0.46 -0.47 -0.16 0.00 1.84 0.00 0.00 41.12 42.79 1oop n ASP 203 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1oop s ALA 204 N -2.00 0.87 0.40 2.24 0.00 -1.11 -5.12 121.76 117.04 1oop s ALA 204 Ca 0.00 -0.31 -0.26 0.00 0.00 0.00 0.00 51.96 51.38 1oop s ALA 204 Cb 0.00 -0.34 -0.10 0.00 0.00 0.00 0.00 23.12 22.68 1oop s ALA 204 CO 0.00 0.13 1.30 0.94 0.00 0.00 0.00 175.76 178.13 1oop n GLN 205 N 3.37 2.06 0.00 0.00 -0.06 -1.26 -4.78 117.38 116.71 1oop n GLN 205 Ca -0.19 0.73 0.11 0.00 -2.00 0.00 0.00 57.00 55.65 1oop n GLN 205 Cb 0.54 -2.41 -0.05 0.00 -4.06 0.00 0.00 30.24 24.26 1oop n GLN 205 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1oop n SER 206 N 0.32 0.76 -4.65 1.69 2.88 -1.26 -4.84 113.62 108.52 1oop n SER 206 Ca 0.06 -0.66 -0.37 0.00 -1.33 0.00 0.00 58.87 56.56 1oop n SER 206 Cb 0.39 0.97 -0.09 0.00 -0.75 0.00 0.00 64.21 64.72 1oop n SER 206 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1oop s ASP 207 N -3.31 6.19 0.17 -3.46 1.11 -1.26 -3.08 116.67 113.03 1oop s ASP 207 Ca 0.06 0.20 0.03 0.00 0.18 0.00 0.00 52.55 53.02 1oop s ASP 207 Cb 0.16 -2.14 -0.05 0.00 1.07 0.00 0.00 42.92 41.96 1oop s ASP 207 CO 0.84 0.00 -0.04 0.00 1.18 0.00 0.00 175.17 177.16 1oop s LYS 209 N -3.85 2.07 -0.03 0.00 3.01 -1.26 -0.97 119.74 118.71 1oop s LYS 209 Ca 0.21 -1.27 0.01 0.00 -1.01 0.00 0.00 55.97 53.91 1oop s LYS 209 Cb 0.05 -2.16 0.01 0.00 -1.01 0.00 0.00 37.83 34.72 1oop s LYS 209 CO 0.03 0.43 -0.04 0.42 0.51 0.00 0.00 175.35 176.69 1oop s ILE 210 N -1.73 0.47 0.05 2.17 1.01 -0.45 -1.10 121.20 121.62 1oop s ILE 210 Ca 0.25 -0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.77 1oop s ILE 210 Cb -0.09 -0.47 -0.04 0.00 0.01 0.00 0.00 42.46 41.88 1oop s ILE 210 CO 0.15 0.18 0.13 -0.76 0.00 0.00 0.00 174.94 174.65 1oop s LEU 211 N 0.55 4.06 -0.04 2.97 1.43 -0.30 -1.24 118.68 126.11 1oop s LEU 211 Ca -0.07 0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.19 1oop s LEU 211 Cb -0.10 -2.62 0.01 0.00 0.03 0.00 0.00 46.19 43.51 1oop s LEU 211 CO -0.00 0.20 -0.08 0.00 0.23 0.00 0.00 176.35 176.70 1oop s PHE 213 N 0.58 2.64 0.04 0.00 0.08 0.57 -0.40 117.98 121.49 1oop s PHE 213 Ca -0.09 -0.23 0.03 0.00 0.12 0.00 0.00 56.93 56.75 1oop s PHE 213 Cb -0.12 -1.18 -0.02 0.00 -0.57 0.00 0.00 43.02 41.12 1oop s PHE 213 CO 0.01 0.62 -0.09 0.08 -0.10 0.00 0.00 175.22 175.74 1oop s VAL 214 N -2.26 0.68 0.02 -0.44 1.01 -0.31 -1.54 120.40 117.56 1oop s VAL 214 Ca 0.30 -1.03 -0.28 0.00 0.00 0.00 0.00 61.98 60.97 1oop s VAL 214 Cb -0.07 -0.70 0.10 0.00 0.00 0.00 0.00 36.38 35.71 1oop s VAL 214 CO 0.19 -0.27 0.90 -0.94 0.00 0.00 0.00 175.10 174.98 1oop s SER 215 N -1.42 -0.34 0.46 3.32 1.04 -0.98 -1.72 113.70 114.06 1oop s SER 215 Ca -0.06 -0.06 -0.17 0.00 0.48 0.00 0.00 55.95 56.14 1oop s SER 215 Cb -0.09 0.40 -0.09 0.00 0.10 0.00 0.00 66.02 66.34 1oop s SER 215 CO 0.01 -0.66 0.93 0.00 0.98 0.00 0.00 173.24 174.50 1oop s ALA 216 N -3.14 3.11 0.68 5.32 0.00 -0.29 -0.33 121.76 127.11 1oop s ALA 216 Ca 0.06 0.19 -0.02 0.00 0.00 0.00 0.00 51.96 52.19 1oop s ALA 216 Cb -0.01 -3.05 0.09 0.00 0.00 0.00 0.00 23.12 20.16 1oop s ALA 216 CO -0.07 -0.05 0.62 0.00 0.00 0.00 0.00 175.76 176.26 1oop n ASN 218 N -3.06 0.00 -1.03 0.00 0.23 -1.26 -3.02 115.26 107.12 1oop n ASN 218 Ca 0.10 -0.10 0.12 0.00 -0.53 0.00 0.00 54.58 54.17 1oop n ASN 218 Cb 0.34 -0.27 0.24 0.00 -2.08 0.00 0.00 39.78 38.01 1oop n ASN 218 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1oop n ASP 219 N -1.27 3.08 -4.74 0.53 5.68 -1.26 -4.99 116.55 113.57 1oop n ASP 219 Ca 0.12 -1.94 -0.40 0.00 -0.50 0.00 0.00 54.79 52.06 1oop n ASP 219 Cb 0.19 -0.21 -0.05 0.00 -1.14 0.00 0.00 41.12 39.92 1oop n ASP 219 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 1oop s PHE 220 N -1.59 3.79 -0.05 2.11 2.19 -1.17 -4.39 117.98 118.88 1oop s PHE 220 Ca 0.37 1.78 -0.25 0.00 0.33 0.00 0.00 56.93 59.16 1oop s PHE 220 Cb 0.22 -3.12 0.05 0.00 -1.31 0.00 0.00 43.02 38.86 1oop s PHE 220 CO 0.31 -0.02 0.55 -1.54 1.83 0.00 0.00 175.22 176.34 1oop s SER 221 N -0.66 -0.50 0.26 6.13 1.04 0.31 -4.98 113.70 115.31 1oop s SER 221 Ca 0.45 0.52 0.12 0.00 0.48 0.00 0.00 55.95 57.52 1oop s SER 221 Cb -0.27 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.29 1oop s SER 221 CO 0.34 -0.53 -0.19 0.68 0.98 0.00 0.00 173.24 174.52 1oop s VAL 222 N -1.16 2.55 0.06 5.02 -7.23 -1.26 -1.55 120.40 116.83 1oop s VAL 222 Ca -0.11 -2.29 -0.03 0.00 -1.81 0.00 0.00 61.98 57.74 1oop s VAL 222 Cb -0.02 -2.32 -0.03 0.00 0.56 0.00 0.00 36.38 34.57 1oop s VAL 222 CO 0.08 -0.34 0.04 -0.60 -0.31 0.00 0.00 175.10 173.96 1oop s ARG 223 N -3.36 0.65 -0.20 4.82 3.52 -0.30 -4.98 118.95 119.09 1oop s ARG 223 Ca 0.28 -1.07 -0.09 0.00 -0.13 0.00 0.00 55.73 54.73 1oop s ARG 223 Cb -0.06 0.24 0.03 0.00 -1.56 0.00 0.00 34.95 33.61 1oop s ARG 223 CO 0.14 -0.15 0.17 -0.12 -0.81 0.00 0.00 175.30 174.54 1oop n MET 224 N 0.23 -3.95 -2.35 5.12 1.56 -1.26 -1.50 117.12 114.96 1oop n MET 224 Ca -0.15 3.05 -0.38 0.00 -0.27 0.00 0.00 57.70 59.94 1oop n MET 224 Cb 0.61 -4.79 -0.03 0.00 2.15 0.00 0.00 33.22 31.16 1oop n MET 224 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1oop s LEU 225 N -0.84 4.25 0.17 -0.89 1.02 -1.26 0.34 118.68 121.48 1oop s LEU 225 Ca -0.20 2.30 -0.20 0.00 0.02 0.00 0.00 54.13 56.05 1oop s LEU 225 Cb 0.01 -3.98 0.05 0.00 0.02 0.00 0.00 46.19 42.30 1oop s LEU 225 CO 0.72 -0.56 0.56 -1.59 0.02 0.00 0.00 176.35 175.50 1oop s LYS 226 N -2.19 1.32 0.51 1.70 -2.85 0.43 -4.85 119.74 113.82 1oop s LYS 226 Ca 0.55 -0.65 -0.18 0.00 -1.00 0.00 0.00 55.97 54.69 1oop s LYS 226 Cb -0.30 0.55 -0.08 0.00 -2.06 0.00 0.00 37.83 35.95 1oop s LYS 226 CO 0.38 -0.57 1.01 -0.51 0.10 0.00 0.00 175.35 175.76 1oop s ASP 227 N -2.80 6.44 0.36 0.03 1.01 -1.26 -4.35 116.67 116.09 1oop s ASP 227 Ca 0.04 1.72 -0.19 0.00 0.71 0.00 0.00 52.55 54.83 1oop s ASP 227 Cb -0.01 -2.53 -0.10 0.00 1.01 0.00 0.00 42.92 41.29 1oop s ASP 227 CO -0.09 -0.71 0.85 0.42 0.21 0.00 0.00 175.17 175.85 1oop s THR 228 N -2.38 4.51 -1.49 -1.27 -4.23 -1.25 -4.83 115.64 104.69 1oop s THR 228 Ca 0.62 1.28 0.29 0.00 -1.18 0.00 0.00 61.69 62.71 1oop s THR 228 Cb -0.12 -3.65 0.47 0.00 1.34 0.00 0.00 72.50 70.53 1oop s THR 228 CO 0.27 -0.19 1.95 -0.81 -0.54 0.00 0.00 174.62 175.29 1oop n PRO 229 N -0.34 0.51 0.00 3.99 -0.04 -1.26 -4.01 135.00 133.84 1oop n PRO 229 Ca 0.05 -0.10 0.13 0.00 -0.04 0.00 0.00 63.50 63.54 1oop n PRO 229 Cb 0.53 -1.50 0.69 0.00 -0.04 0.00 0.00 33.50 33.19 1oop n PRO 229 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1oop n PHE 230 N -1.16 0.00 -3.66 0.54 3.72 -1.26 -4.68 117.46 110.96 1oop n PHE 230 Ca 0.14 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.30 1oop n PHE 230 Cb 0.26 -0.17 -0.17 0.00 -0.94 0.00 0.00 39.48 38.46 1oop n PHE 230 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 1oop s ILE 231 N -2.34 0.02 0.54 4.37 1.10 -1.26 -5.13 121.20 118.50 1oop s ILE 231 Ca 0.30 -0.02 0.05 0.00 -0.51 0.00 0.00 60.65 60.48 1oop s ILE 231 Cb 0.17 -0.51 0.04 0.00 0.15 0.00 0.00 42.46 42.32 1oop s ILE 231 CO 0.35 -0.09 0.40 -0.54 -2.11 0.00 0.00 174.94 172.95 1oop s LYS 232 N 2.10 2.26 -0.28 3.50 3.01 -1.26 -4.99 119.74 124.07 1oop s LYS 232 Ca 0.03 -2.01 -0.25 0.00 -1.01 0.00 0.00 55.97 52.72 1oop s LYS 232 Cb -0.15 -2.10 0.14 0.00 -1.01 0.00 0.00 37.83 34.71 1oop s LYS 232 CO -0.07 -0.61 1.16 -1.14 0.51 0.00 0.00 175.35 175.20 1oop s GLN 233 N -4.28 0.37 -0.14 1.68 0.74 -1.26 -5.07 119.66 111.69 1oop s GLN 233 Ca 0.34 0.42 0.09 0.00 0.05 0.00 0.00 55.36 56.26 1oop s GLN 233 Cb -0.02 0.18 -0.23 0.00 1.10 0.00 0.00 33.01 34.03 1oop s GLN 233 CO 0.21 -0.05 0.27 -0.25 -0.55 0.00 0.00 175.29 174.92 1oop n ASP 234 N 1.96 1.00 -3.58 6.67 8.00 -1.26 -5.03 116.55 124.30 1oop n ASP 234 Ca -0.12 0.15 -0.06 0.00 0.71 0.00 0.00 54.79 55.48 1oop n ASP 234 Cb 0.56 0.08 -0.02 0.00 -0.02 0.00 0.00 41.12 41.73 1oop n ASP 234 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1oop s ASN 235 N -6.14 -0.26 0.08 -2.24 4.22 -1.26 -5.13 114.94 104.21 1oop s ASN 235 Ca -0.15 -0.09 -0.36 0.00 -2.14 0.00 0.00 52.86 50.12 1oop s ASN 235 Cb 0.07 0.34 -0.18 0.00 1.28 0.00 0.00 41.25 42.77 1oop s ASN 235 CO 0.78 -0.58 1.09 0.49 -2.04 0.00 0.00 177.10 176.84 1oop n PHE 236 N -0.28 0.85 -1.93 1.54 3.72 -1.26 -4.92 117.46 115.18 1oop n PHE 236 Ca -0.07 0.87 -0.33 0.00 -0.05 0.00 0.00 57.45 57.88 1oop n PHE 236 Cb 0.61 -2.17 0.03 0.00 -0.94 0.00 0.00 39.48 37.00 1oop n PHE 236 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1oop s PHE 237 N -0.03 2.80 0.00 1.38 0.08 -1.26 -5.25 117.98 115.70 1oop s PHE 237 Ca 0.83 1.53 0.00 0.00 0.12 0.00 0.00 56.93 59.41 1oop s PHE 237 Cb -1.07 -3.10 0.00 0.00 -0.57 0.00 0.00 43.02 38.28 1oop s PHE 237 CO 0.53 -1.40 0.08 1.04 -0.10 0.00 0.00 175.22 175.37