#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2if7 h LEU 3 N 0.00 0.00 -9.87 2.46 -0.00 -1.97 -3.47 115.31 102.46 2if7 h LEU 3 Ca 0.00 -0.52 -0.61 0.00 -0.00 0.00 0.00 57.88 56.75 2if7 h LEU 3 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 40.61 2if7 h LEU 3 CO 0.00 1.36 -0.52 -0.89 -0.00 0.00 0.00 178.44 178.39 2if7 s THR 4 N -2.32 5.17 -0.35 0.22 2.01 -1.26 -5.00 115.64 114.10 2if7 s THR 4 Ca -0.26 -0.54 -0.41 0.00 0.31 0.00 0.00 61.69 60.79 2if7 s THR 4 Cb 0.04 -3.54 -0.16 0.00 0.01 0.00 0.00 72.50 68.86 2if7 s THR 4 CO 0.57 0.10 1.86 -0.81 -0.69 0.00 0.00 174.62 175.64 2if7 n PRO 5 N 0.19 0.83 -1.92 4.92 -0.04 -1.26 -4.80 135.00 132.91 2if7 n PRO 5 Ca -0.06 0.29 -0.41 0.00 -0.04 0.00 0.00 63.50 63.28 2if7 n PRO 5 Cb 0.52 -2.01 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 2if7 n PRO 5 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2if7 s LEU 6 N 4.46 3.42 0.18 1.53 2.96 -1.02 -4.58 118.68 125.64 2if7 s LEU 6 Ca 1.04 1.00 -0.30 0.00 -0.22 0.00 0.00 54.13 55.65 2if7 s LEU 6 Cb -1.15 -3.05 -0.09 0.00 0.50 0.00 0.00 46.19 42.40 2if7 s LEU 6 CO 0.65 -2.11 1.37 -0.32 -1.32 0.00 0.00 176.35 174.63 2if7 s MET 7 N 6.52 4.33 0.02 1.98 1.75 -1.26 -3.29 119.30 129.36 2if7 s MET 7 Ca 0.80 2.13 0.00 0.00 -1.25 0.00 0.00 55.69 57.37 2if7 s MET 7 Cb -0.19 -3.19 -0.02 0.00 2.84 0.00 0.00 34.83 34.27 2if7 s MET 7 CO 0.28 -0.36 -0.04 0.14 -0.65 0.00 0.00 175.02 174.40 2if7 s VAL 8 N 0.42 0.18 -0.17 10.11 -7.23 -0.14 -4.93 120.40 118.63 2if7 s VAL 8 Ca 0.60 -0.95 -0.03 0.00 -1.81 0.00 0.00 61.98 59.79 2if7 s VAL 8 Cb -0.38 -0.34 -0.02 0.00 0.56 0.00 0.00 36.38 36.20 2if7 s VAL 8 CO 0.37 -0.49 -0.05 0.20 -0.31 0.00 0.00 175.10 174.81 2if7 s ASN 9 N -1.51 4.50 -0.04 4.85 0.02 -1.26 -1.85 114.94 119.66 2if7 s ASN 9 Ca -0.15 -0.25 0.06 0.00 -1.02 0.00 0.00 52.86 51.50 2if7 s ASN 9 Cb -0.10 -1.74 -0.02 0.00 0.02 0.00 0.00 41.25 39.41 2if7 s ASN 9 CO -0.01 0.11 -0.21 -0.83 0.02 0.00 0.00 177.10 176.18 2if7 s GLY 10 N 0.72 1.39 -0.37 0.66 0.00 -0.17 -4.98 107.32 104.57 2if7 s GLY 10 Ca -0.03 -1.05 -0.27 0.00 0.00 0.00 0.00 44.72 43.37 2if7 s GLY 10 CO 0.02 -0.83 1.01 -0.42 0.00 0.00 0.00 173.10 172.88 2if7 s ILE 11 N -0.62 4.50 -0.36 0.90 1.01 -1.26 -2.43 121.20 122.94 2if7 s ILE 11 Ca 0.10 1.40 -0.45 0.00 0.00 0.00 0.00 60.65 61.70 2if7 s ILE 11 Cb -0.11 -4.40 -0.20 0.00 0.01 0.00 0.00 42.46 37.76 2if7 s ILE 11 CO 0.00 -0.59 1.44 -0.11 0.00 0.00 0.00 174.94 175.69 2if7 n LEU 12 N 6.97 0.86 0.00 2.97 7.94 -0.99 0.21 117.00 134.96 2if7 n LEU 12 Ca 0.10 1.17 0.00 0.00 -1.11 0.00 0.00 56.01 56.17 2if7 n LEU 12 Cb 0.48 -0.88 0.00 0.00 0.53 0.00 0.00 43.42 43.54 2if7 n LEU 12 CO 0.61 -1.13 0.00 0.61 -1.11 0.00 0.00 177.39 176.37 2if7 n GLY 13 N 3.28 2.92 0.00 -3.96 0.00 -0.20 -4.78 105.19 102.46 2if7 n GLY 13 Ca 0.28 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2if7 n GLY 13 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2if7 n GLU 14 N 0.00 2.24 -4.18 1.61 1.02 0.13 -3.94 120.64 117.52 2if7 n GLU 14 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 2if7 n GLU 14 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.32 2if7 n GLU 14 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2if7 s SER 15 N -1.00 1.13 0.01 1.62 1.04 -1.26 -0.24 113.70 115.00 2if7 s SER 15 Ca 0.00 -1.04 0.03 0.00 0.48 0.00 0.00 55.95 55.42 2if7 s SER 15 Cb 0.00 0.10 -0.01 0.00 0.10 0.00 0.00 66.02 66.21 2if7 s SER 15 CO 0.00 -0.49 -0.10 0.68 0.98 0.00 0.00 173.24 174.31 2if7 s VAL 16 N -3.64 0.77 -0.11 5.02 -7.23 0.17 -4.87 120.40 110.52 2if7 s VAL 16 Ca 0.14 -0.65 -0.01 0.00 -1.81 0.00 0.00 61.98 59.66 2if7 s VAL 16 Cb 0.05 -0.69 -0.03 0.00 0.56 0.00 0.00 36.38 36.28 2if7 s VAL 16 CO -0.03 0.05 -0.07 0.42 -0.31 0.00 0.00 175.10 175.16 2if7 s THR 17 N -0.56 3.64 -0.24 5.32 -4.23 -1.26 -0.96 115.64 117.36 2if7 s THR 17 Ca 0.01 -0.48 0.02 0.00 -1.18 0.00 0.00 61.69 60.06 2if7 s THR 17 Cb -0.06 -2.53 0.06 0.00 1.34 0.00 0.00 72.50 71.31 2if7 s THR 17 CO 0.00 0.55 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.79 2if7 s LEU 18 N -0.23 2.84 0.00 4.79 1.43 0.24 -4.97 118.68 122.77 2if7 s LEU 18 Ca 0.03 -1.20 -0.06 0.00 -1.03 0.00 0.00 54.13 51.86 2if7 s LEU 18 Cb -0.13 -1.33 0.17 0.00 0.03 0.00 0.00 46.19 44.94 2if7 s LEU 18 CO 0.03 -0.20 1.10 -0.81 0.23 0.00 0.00 176.35 176.70 2if7 n PRO 19 N 4.58 -0.55 -4.20 1.29 -0.05 -1.26 -0.60 135.00 134.22 2if7 n PRO 19 Ca -0.13 -2.42 -0.12 0.00 -0.05 0.00 0.00 63.50 60.78 2if7 n PRO 19 Cb 0.44 -0.92 -0.10 0.00 -0.05 0.00 0.00 33.50 32.87 2if7 n PRO 19 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 175.50 174.94 2if7 s LEU 20 N 0.00 2.51 0.21 1.53 1.02 -1.26 -4.89 118.68 117.80 2if7 s LEU 20 Ca 0.68 -0.99 -0.06 0.00 0.02 0.00 0.00 54.13 53.78 2if7 s LEU 20 Cb -0.03 -0.19 -0.06 0.00 0.02 0.00 0.00 46.19 45.93 2if7 s LEU 20 CO 0.46 -0.40 0.47 -1.61 0.02 0.00 0.00 176.35 175.29 2if7 s GLU 21 N -3.71 3.66 -0.01 1.70 2.02 -1.26 -5.07 118.70 116.03 2if7 s GLU 21 Ca 0.13 0.01 -0.01 0.00 0.02 0.00 0.00 54.97 55.13 2if7 s GLU 21 Cb 0.04 -2.74 -0.00 0.00 0.10 0.00 0.00 34.13 31.52 2if7 s GLU 21 CO -0.02 0.35 -0.02 1.19 0.02 0.00 0.00 175.26 176.78 2if7 n PHE 22 N -0.30 0.03 -0.04 1.61 3.72 -1.26 -5.08 117.46 116.14 2if7 n PHE 22 Ca -0.02 0.01 -0.04 0.00 -0.05 0.00 0.00 57.45 57.36 2if7 n PHE 22 Cb 0.53 -0.15 -0.01 0.00 -0.94 0.00 0.00 39.48 38.91 2if7 n PHE 22 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2if7 n PRO 23 N -2.52 0.21 0.00 -1.08 -0.04 -1.26 -4.87 135.00 125.44 2if7 n PRO 23 Ca -0.01 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2if7 n PRO 23 Cb 0.02 -0.91 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 2if7 n PRO 23 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2if7 n ALA 24 N -3.25 0.00 0.07 0.55 0.00 -1.26 -5.05 120.51 111.57 2if7 n ALA 24 Ca -0.05 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.32 2if7 n ALA 24 Cb 0.20 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.62 2if7 n ALA 24 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2if7 h GLY 25 N 0.00 -0.30 -4.16 0.00 0.00 -2.06 -3.45 103.07 93.10 2if7 h GLY 25 Ca 0.00 0.11 -0.66 0.00 0.00 0.00 0.00 47.33 46.78 2if7 h GLY 25 CO 0.00 -0.11 -0.73 1.85 0.00 0.00 0.00 176.54 177.55 2if7 s GLU 26 N -2.71 2.13 -0.17 4.80 2.12 -1.26 -5.11 118.70 118.50 2if7 s GLU 26 Ca -0.07 -1.05 -0.22 0.00 0.36 0.00 0.00 54.97 53.99 2if7 s GLU 26 Cb 0.00 -2.29 -0.03 0.00 0.26 0.00 0.00 34.13 32.08 2if7 s GLU 26 CO 0.22 0.50 0.67 0.21 -0.54 0.00 0.00 175.26 176.32 2if7 s LYS 27 N -2.31 4.26 0.38 4.30 2.20 -1.26 -4.69 119.74 122.63 2if7 s LYS 27 Ca 0.22 0.71 -0.21 0.00 -0.36 0.00 0.00 55.97 56.34 2if7 s LYS 27 Cb -0.11 -3.55 -0.10 0.00 -1.51 0.00 0.00 37.83 32.56 2if7 s LYS 27 CO 0.14 -0.20 0.90 0.14 -0.36 0.00 0.00 175.35 175.97 2if7 s VAL 28 N 1.75 4.42 0.00 4.02 -7.23 -1.26 -4.55 120.40 117.55 2if7 s VAL 28 Ca 0.31 1.43 0.00 0.00 -1.81 0.00 0.00 61.98 61.91 2if7 s VAL 28 Cb -0.16 -3.67 0.00 0.00 0.56 0.00 0.00 36.38 33.10 2if7 s VAL 28 CO 0.12 -0.20 0.26 0.59 -0.31 0.00 0.00 175.10 175.55 2if7 n ASN 29 N -0.35 0.00 -4.26 4.85 5.03 -0.75 -4.93 115.26 114.86 2if7 n ASN 29 Ca 0.05 0.40 -0.16 0.00 0.87 0.00 0.00 54.58 55.75 2if7 n ASN 29 Cb 0.53 -0.22 -0.10 0.00 -1.02 0.00 0.00 39.78 38.97 2if7 n ASN 29 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 2if7 s PHE 30 N -0.97 1.45 0.00 3.10 -0.12 -0.96 -4.53 117.98 115.95 2if7 s PHE 30 Ca 0.00 -1.25 -0.01 0.00 -0.05 0.00 0.00 56.93 55.62 2if7 s PHE 30 Cb 0.00 -0.81 -0.01 0.00 -0.63 0.00 0.00 43.02 41.58 2if7 s PHE 30 CO 0.00 -0.43 0.02 0.96 -0.05 0.00 0.00 175.22 175.71 2if7 s ILE 31 N -3.85 0.05 -0.04 -4.49 -4.36 -1.17 -0.94 121.20 106.40 2if7 s ILE 31 Ca 0.38 -0.41 0.01 0.00 -0.26 0.00 0.00 60.65 60.37 2if7 s ILE 31 Cb 0.07 -0.16 0.02 0.00 1.25 0.00 0.00 42.46 43.64 2if7 s ILE 31 CO 0.14 -0.22 -0.04 0.28 0.24 0.00 0.00 174.94 175.33 2if7 s THR 32 N -0.67 0.53 -0.17 8.37 -1.32 -1.08 -1.64 115.64 119.67 2if7 s THR 32 Ca -0.07 -0.12 -0.20 0.00 -1.21 0.00 0.00 61.69 60.08 2if7 s THR 32 Cb -0.05 -0.56 -0.03 0.00 -1.51 0.00 0.00 72.50 70.36 2if7 s THR 32 CO -0.00 0.22 0.60 0.26 -2.21 0.00 0.00 174.62 173.49 2if7 s TRP 33 N 0.90 3.43 -0.07 9.09 0.52 -0.93 -1.59 118.94 130.29 2if7 s TRP 33 Ca -0.11 0.94 0.01 0.00 0.02 0.00 0.00 56.10 56.95 2if7 s TRP 33 Cb -0.14 -2.74 -0.03 0.00 -1.15 0.00 0.00 33.47 29.41 2if7 s TRP 33 CO 0.00 -0.07 -0.07 -0.51 0.02 0.00 0.00 176.95 176.33 2if7 s LEU 34 N 1.49 3.16 -0.29 2.99 2.01 0.70 -0.22 118.68 128.51 2if7 s LEU 34 Ca 0.29 -0.03 0.02 0.00 0.01 0.00 0.00 54.13 54.41 2if7 s LEU 34 Cb -0.16 -1.69 0.08 0.00 0.01 0.00 0.00 46.19 44.44 2if7 s LEU 34 CO 0.11 0.35 0.01 0.12 1.01 0.00 0.00 176.35 177.95 2if7 s PHE 35 N -0.74 2.96 -1.02 0.29 5.36 -0.22 -1.13 117.98 123.48 2if7 s PHE 35 Ca 0.11 -2.35 -0.02 0.00 -0.96 0.00 0.00 56.93 53.72 2if7 s PHE 35 Cb -0.11 -2.20 -0.02 0.00 -0.34 0.00 0.00 43.02 40.34 2if7 s PHE 35 CO 0.02 -0.88 0.86 -1.71 -1.46 0.00 0.00 175.22 172.05 2if7 n ASN 36 N 4.50 -3.61 0.00 6.13 5.15 0.24 -2.25 115.26 125.42 2if7 n ASN 36 Ca -0.04 -0.58 0.00 0.00 -0.60 0.00 0.00 54.58 53.36 2if7 n ASN 36 Cb 0.43 -4.66 0.00 0.00 -0.53 0.00 0.00 39.78 35.01 2if7 n ASN 36 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2if7 n GLU 37 N -3.51 0.00 -4.06 1.20 4.71 -1.26 -4.99 120.64 112.73 2if7 n GLU 37 Ca -0.18 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 56.89 2if7 n GLU 37 Cb 0.63 -1.25 -0.10 0.00 -1.01 0.00 0.00 31.44 29.72 2if7 n GLU 37 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 2if7 s THR 38 N -2.85 0.19 -0.10 2.62 -4.23 -0.95 -5.14 115.64 105.18 2if7 s THR 38 Ca 0.00 -1.72 -0.21 0.00 -1.18 0.00 0.00 61.69 58.58 2if7 s THR 38 Cb 0.00 -1.56 -0.04 0.00 1.34 0.00 0.00 72.50 72.24 2if7 s THR 38 CO 0.00 -0.87 0.60 -0.55 -0.54 0.00 0.00 174.62 173.26 2if7 s SER 39 N -2.93 6.84 -0.16 3.99 0.15 -1.26 -1.06 113.70 119.27 2if7 s SER 39 Ca 0.09 1.00 -0.22 0.00 0.70 0.00 0.00 55.95 57.52 2if7 s SER 39 Cb 0.07 -2.35 -0.20 0.00 -1.71 0.00 0.00 66.02 61.84 2if7 s SER 39 CO -0.09 -0.07 0.44 0.25 1.20 0.00 0.00 173.24 174.97 2if7 h LEU 40 N 6.83 0.00 -7.20 3.45 5.85 -0.92 -3.28 115.31 120.04 2if7 h LEU 40 Ca -0.40 -0.67 -0.04 0.00 0.84 0.00 0.00 57.88 57.61 2if7 h LEU 40 Cb 1.19 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 42.09 2if7 h LEU 40 CO 0.76 1.11 0.07 0.00 -0.34 0.00 0.00 178.44 180.03 2if7 s ALA 41 N -2.34 -1.26 -0.11 1.25 0.00 -0.98 -1.24 121.76 117.08 2if7 s ALA 41 Ca -0.20 0.22 0.02 0.00 0.00 0.00 0.00 51.96 52.00 2if7 s ALA 41 Cb 0.01 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 23.91 2if7 s ALA 41 CO 0.56 -0.71 -0.19 0.12 0.00 0.00 0.00 175.76 175.54 2if7 s PHE 42 N -3.78 2.66 -0.12 0.00 5.36 -1.08 -2.18 117.98 118.84 2if7 s PHE 42 Ca 0.02 -0.84 0.02 0.00 -0.96 0.00 0.00 56.93 55.17 2if7 s PHE 42 Cb 0.00 -1.76 0.01 0.00 -0.34 0.00 0.00 43.02 40.94 2if7 s PHE 42 CO -0.12 -0.31 -0.19 -1.50 -1.46 0.00 0.00 175.22 171.64 2if7 s ILE 43 N 0.29 1.77 -0.42 3.12 2.07 -0.65 -1.21 121.20 126.17 2if7 s ILE 43 Ca -0.14 -0.81 -0.21 0.00 -1.41 0.00 0.00 60.65 58.08 2if7 s ILE 43 Cb -0.17 -1.59 0.02 0.00 0.13 0.00 0.00 42.46 40.85 2if7 s ILE 43 CO 0.07 0.49 0.67 -0.69 -1.91 0.00 0.00 174.94 173.57 2if7 s VAL 44 N 0.90 4.81 0.03 4.00 1.01 0.40 -3.02 120.40 128.52 2if7 s VAL 44 Ca -0.07 0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.91 2if7 s VAL 44 Cb -0.15 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 2if7 s VAL 44 CO -0.02 -0.54 0.99 -2.16 0.00 0.00 0.00 175.10 173.37 2if7 s PRO 45 N 2.87 4.58 -0.00 2.72 0.05 -1.26 -0.94 135.00 143.02 2if7 s PRO 45 Ca 0.24 1.46 0.00 0.00 0.05 0.00 0.00 61.00 62.75 2if7 s PRO 45 Cb -0.14 -3.43 0.00 0.00 0.05 0.00 0.00 34.50 30.98 2if7 s PRO 45 CO 0.19 -0.01 -0.00 -1.01 0.05 0.00 0.00 177.00 176.21 2if7 s HIS 46 N 0.80 0.06 -0.22 0.56 3.76 -1.26 -4.95 115.29 114.04 2if7 s HIS 46 Ca 0.51 0.00 0.08 0.00 -0.15 0.00 0.00 55.06 55.50 2if7 s HIS 46 Cb -0.22 -0.06 -0.19 0.00 1.11 0.00 0.00 32.58 33.22 2if7 s HIS 46 CO 0.29 -0.01 -0.11 -0.85 -0.85 0.00 0.00 174.74 173.21 2if7 n GLU 47 N 3.18 0.71 0.00 1.40 0.28 -1.26 -4.30 120.64 120.65 2if7 n GLU 47 Ca -0.14 0.08 0.13 0.00 -0.16 0.00 0.00 57.16 57.08 2if7 n GLU 47 Cb 0.59 -1.49 0.46 0.00 1.43 0.00 0.00 31.44 32.42 2if7 n GLU 47 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2if7 n THR 48 N -3.02 0.00 -3.52 3.84 -2.24 -1.26 -4.89 114.28 103.19 2if7 n THR 48 Ca -0.39 -0.13 -0.16 0.00 -2.27 0.00 0.00 64.05 61.10 2if7 n THR 48 Cb 1.03 0.30 -0.05 0.00 -2.10 0.00 0.00 70.33 69.51 2if7 n THR 48 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2if7 s LYS 49 N -2.41 1.08 0.14 -0.78 2.47 -1.26 -5.13 119.74 113.84 2if7 s LYS 49 Ca 0.28 0.03 -0.33 0.00 -1.56 0.00 0.00 55.97 54.38 2if7 s LYS 49 Cb 0.20 0.50 -0.17 0.00 -1.46 0.00 0.00 37.83 36.90 2if7 s LYS 49 CO 0.48 -0.37 1.00 0.43 0.16 0.00 0.00 175.35 177.04 2if7 n SER 50 N 0.61 0.44 -4.75 1.43 7.64 -1.26 -4.47 113.62 113.26 2if7 n SER 50 Ca -0.19 1.14 -0.34 0.00 1.01 0.00 0.00 58.87 60.50 2if7 n SER 50 Cb 0.59 -1.09 0.06 0.00 -1.01 0.00 0.00 64.21 62.76 2if7 n SER 50 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 2if7 s PRO 51 N -0.44 2.66 -0.28 1.43 0.02 -1.26 -4.80 135.00 132.33 2if7 s PRO 51 Ca 0.75 1.60 -0.10 0.00 0.02 0.00 0.00 61.00 63.27 2if7 s PRO 51 Cb -0.97 -1.91 -0.04 0.00 0.02 0.00 0.00 34.50 31.59 2if7 s PRO 51 CO 0.54 -1.40 0.17 -1.21 -0.33 0.00 0.00 177.00 174.78 2if7 s GLU 52 N -3.84 3.84 0.02 5.54 2.02 -0.11 -4.97 118.70 121.20 2if7 s GLU 52 Ca 0.71 -0.39 0.08 0.00 0.02 0.00 0.00 54.97 55.40 2if7 s GLU 52 Cb -0.25 -3.61 -0.03 0.00 0.10 0.00 0.00 34.13 30.34 2if7 s GLU 52 CO 0.40 -0.21 -0.24 0.96 0.02 0.00 0.00 175.26 176.18 2if7 s ILE 53 N 1.73 2.26 -0.27 -1.63 -5.25 -1.26 0.15 121.20 116.92 2if7 s ILE 53 Ca 0.07 -1.23 -0.01 0.00 -0.99 0.00 0.00 60.65 58.49 2if7 s ILE 53 Cb -0.16 -1.86 0.08 0.00 2.95 0.00 0.00 42.46 43.48 2if7 s ILE 53 CO 0.10 0.45 0.06 -1.00 -1.79 0.00 0.00 174.94 172.76 2if7 s HIS 54 N -0.75 1.67 -0.20 1.37 0.09 -0.35 -5.02 115.29 112.10 2if7 s HIS 54 Ca 0.11 -1.54 -0.32 0.00 -0.00 0.00 0.00 55.06 53.31 2if7 s HIS 54 Cb -0.10 -1.54 -0.09 0.00 -0.00 0.00 0.00 32.58 30.84 2if7 s HIS 54 CO 0.01 -0.80 2.08 0.28 -0.00 0.00 0.00 174.74 176.32 2if7 n VAL 55 N 4.86 0.40 1.02 -0.90 0.31 -1.26 -2.63 118.33 120.13 2if7 n VAL 55 Ca -0.05 -0.26 0.13 0.00 -0.01 0.00 0.00 64.34 64.15 2if7 n VAL 55 Cb 0.44 -2.04 0.51 0.00 -0.91 0.00 0.00 33.84 31.83 2if7 n VAL 55 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2if7 n THR 56 N 6.58 0.00 -3.46 2.52 -1.04 -0.37 -4.56 114.28 113.94 2if7 n THR 56 Ca 0.30 -0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 62.09 2if7 n THR 56 Cb 0.33 -0.25 -0.12 0.00 -1.82 0.00 0.00 70.33 68.46 2if7 n THR 56 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2if7 s ASN 57 N -2.98 2.37 0.05 8.00 3.84 -0.58 -4.86 114.94 120.78 2if7 s ASN 57 Ca 0.14 -0.91 -0.21 0.00 0.21 0.00 0.00 52.86 52.09 2if7 s ASN 57 Cb 0.19 0.16 -0.10 0.00 -0.55 0.00 0.00 41.25 40.94 2if7 s ASN 57 CO 0.58 -0.40 1.33 1.55 -2.79 0.00 0.00 177.10 177.37 2if7 h PRO 58 N 8.33 -0.59 0.00 0.43 0.13 -1.87 -3.39 132.00 135.03 2if7 h PRO 58 Ca -0.16 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2if7 h PRO 58 Cb 1.06 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2if7 h PRO 58 CO 0.37 -0.39 0.00 1.63 -0.23 0.00 0.00 178.00 179.37 2if7 n LYS 59 N -4.18 0.00 -0.33 0.86 5.02 -1.26 0.28 118.16 118.55 2if7 n LYS 59 Ca -0.07 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.28 2if7 n LYS 59 Cb 0.28 0.00 0.22 0.00 -0.02 0.00 0.00 35.03 35.51 2if7 n LYS 59 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2if7 h GLN 60 N 0.00 0.84 0.00 1.97 4.20 -2.02 -3.47 115.11 116.64 2if7 h GLN 60 Ca 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2if7 h GLN 60 Cb 0.00 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.59 2if7 h GLN 60 CO 0.00 0.56 0.00 0.41 -0.67 0.00 0.00 178.83 179.13 2if7 n GLY 61 N -1.33 2.69 0.01 3.46 0.00 0.81 -3.07 105.19 107.75 2if7 n GLY 61 Ca 0.17 -0.26 0.05 0.00 0.00 0.00 0.00 46.02 45.98 2if7 n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2if7 n LYS 62 N 13.10 0.01 0.23 1.61 5.02 -1.26 -3.10 118.16 133.77 2if7 n LYS 62 Ca 0.00 0.33 0.12 0.00 -2.02 0.00 0.00 58.31 56.75 2if7 n LYS 62 Cb 0.00 -1.52 0.23 0.00 -0.02 0.00 0.00 35.03 33.72 2if7 n LYS 62 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2if7 h ARG 63 N 0.00 0.00 -5.70 1.97 3.08 -1.88 -3.46 114.38 108.39 2if7 h ARG 63 Ca 0.00 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.38 2if7 h ARG 63 Cb 0.18 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.14 2if7 h ARG 63 CO 0.00 0.01 -0.51 -1.17 -1.07 0.00 0.00 179.97 177.22 2if7 s LEU 64 N -6.21 4.19 0.27 3.04 2.96 -1.18 -1.89 118.68 119.87 2if7 s LEU 64 Ca 0.06 0.39 -0.12 0.00 -0.22 0.00 0.00 54.13 54.24 2if7 s LEU 64 Cb 0.05 -2.01 0.00 0.00 0.50 0.00 0.00 46.19 44.74 2if7 s LEU 64 CO 0.66 0.40 0.52 0.20 -1.32 0.00 0.00 176.35 176.80 2if7 s ASN 65 N -0.95 0.05 0.02 3.68 -0.87 -0.60 -5.01 114.94 111.25 2if7 s ASN 65 Ca 0.14 -1.01 0.03 0.00 -1.57 0.00 0.00 52.86 50.46 2if7 s ASN 65 Cb -0.12 0.63 -0.02 0.00 -0.02 0.00 0.00 41.25 41.72 2if7 s ASN 65 CO 0.03 -1.22 -0.09 -0.36 -2.57 0.00 0.00 177.10 172.90 2if7 s PHE 66 N -3.75 0.79 0.73 2.20 0.08 -1.26 -0.48 117.98 116.29 2if7 s PHE 66 Ca 0.22 -0.30 -0.10 0.00 0.12 0.00 0.00 56.93 56.88 2if7 s PHE 66 Cb -0.01 -0.48 0.16 0.00 -0.57 0.00 0.00 43.02 42.12 2if7 s PHE 66 CO 0.11 -0.02 0.99 0.25 -0.10 0.00 0.00 175.22 176.45 2if7 n THR 67 N 2.19 0.00 -0.03 0.64 -2.24 -0.37 -4.87 114.28 109.60 2if7 n THR 67 Ca -0.17 -0.89 -0.10 0.00 -2.27 0.00 0.00 64.05 60.62 2if7 n THR 67 Cb 0.56 -1.46 -0.04 0.00 -2.10 0.00 0.00 70.33 67.29 2if7 n THR 67 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2if7 h GLN 68 N 0.00 0.19 -0.96 -0.78 5.75 -2.02 -0.85 115.11 116.45 2if7 h GLN 68 Ca -0.32 -0.01 -0.13 0.00 -0.15 0.00 0.00 58.65 58.04 2if7 h GLN 68 Cb 0.94 -0.04 -0.08 0.00 1.07 0.00 0.00 27.48 29.38 2if7 h GLN 68 CO 0.25 0.13 0.16 -1.13 -2.65 0.00 0.00 178.83 175.59 2if7 n SER 69 N -5.00 3.07 -1.97 -0.69 3.41 -1.26 -4.86 113.62 106.32 2if7 n SER 69 Ca -0.03 -2.48 -0.20 0.00 -0.26 0.00 0.00 58.87 55.90 2if7 n SER 69 Cb 0.05 -0.60 -0.04 0.00 -0.26 0.00 0.00 64.21 63.35 2if7 n SER 69 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2if7 n TYR 70 N 0.02 -0.54 -2.26 7.33 4.01 -0.32 -4.68 117.16 120.72 2if7 n TYR 70 Ca 0.17 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.50 2if7 n TYR 70 Cb 0.81 -3.66 -0.03 0.00 -0.31 0.00 0.00 39.34 36.15 2if7 n TYR 70 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2if7 s SER 71 N -2.40 6.94 -0.13 7.72 0.01 -1.26 -4.67 113.70 119.92 2if7 s SER 71 Ca 0.00 2.35 -0.29 0.00 1.31 0.00 0.00 55.95 59.31 2if7 s SER 71 Cb 0.00 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 2if7 s SER 71 CO 0.00 -0.50 1.55 -0.22 0.41 0.00 0.00 173.24 174.49 2if7 s LEU 72 N -0.05 4.16 -0.40 2.44 2.96 0.24 -1.24 118.68 126.78 2if7 s LEU 72 Ca 0.56 1.92 0.01 0.00 -0.22 0.00 0.00 54.13 56.41 2if7 s LEU 72 Cb -0.35 -3.53 0.11 0.00 0.50 0.00 0.00 46.19 42.91 2if7 s LEU 72 CO 0.37 -0.99 0.15 -1.58 -1.32 0.00 0.00 176.35 172.98 2if7 s GLN 73 N 4.11 1.77 0.05 1.98 0.74 0.37 0.81 119.66 129.49 2if7 s GLN 73 Ca 0.68 -1.99 -0.16 0.00 0.05 0.00 0.00 55.36 53.95 2if7 s GLN 73 Cb -0.28 -3.37 -0.06 0.00 1.10 0.00 0.00 33.01 30.40 2if7 s GLN 73 CO 0.26 -1.02 0.47 -1.17 -0.55 0.00 0.00 175.29 173.29 2if7 s LEU 74 N 0.78 4.46 0.33 3.68 0.20 -0.13 -1.56 118.68 126.44 2if7 s LEU 74 Ca 0.11 1.05 0.03 0.00 0.69 0.00 0.00 54.13 56.02 2if7 s LEU 74 Cb -0.21 -2.81 -0.05 0.00 -0.43 0.00 0.00 46.19 42.69 2if7 s LEU 74 CO -0.06 0.27 0.09 -0.94 -0.29 0.00 0.00 176.35 175.42 2if7 s SER 75 N -1.24 2.20 -0.90 3.68 1.04 -0.79 -0.65 113.70 117.04 2if7 s SER 75 Ca 0.28 -1.46 -0.17 0.00 0.48 0.00 0.00 55.95 55.08 2if7 s SER 75 Cb -0.17 0.12 0.02 0.00 0.10 0.00 0.00 66.02 66.10 2if7 s SER 75 CO 0.16 -0.72 0.55 0.59 0.98 0.00 0.00 173.24 174.80 2if7 n ASN 76 N -0.79 -3.76 -4.71 7.02 3.02 -0.97 -4.79 115.26 110.27 2if7 n ASN 76 Ca -0.03 -1.00 -0.43 0.00 -0.03 0.00 0.00 54.58 53.09 2if7 n ASN 76 Cb 0.66 -1.36 -0.02 0.00 -0.61 0.00 0.00 39.78 38.46 2if7 n ASN 76 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2if7 n LEU 77 N -3.55 3.80 -4.63 3.41 4.32 0.67 -4.66 117.00 116.37 2if7 n LEU 77 Ca -0.18 1.14 -0.26 0.00 -0.02 0.00 0.00 56.01 56.69 2if7 n LEU 77 Cb 0.53 -1.52 -0.08 0.00 -1.62 0.00 0.00 43.42 40.73 2if7 n LEU 77 CO 0.60 -0.13 -0.36 -0.75 -1.22 0.00 0.00 177.39 175.53 2if7 s LYS 78 N -0.43 2.26 0.47 3.23 2.20 -1.26 -1.03 119.74 125.17 2if7 s LYS 78 Ca 0.66 -1.21 0.24 0.00 -0.36 0.00 0.00 55.97 55.30 2if7 s LYS 78 Cb -0.56 -2.26 1.27 0.00 -1.51 0.00 0.00 37.83 34.77 2if7 s LYS 78 CO 0.49 0.44 1.86 0.52 -0.36 0.00 0.00 175.35 178.29 2if7 h MET 79 N 2.68 0.21 0.00 4.03 2.86 -1.95 -0.32 114.93 122.44 2if7 h MET 79 Ca -0.47 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.16 2if7 h MET 79 Cb 1.21 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.82 2if7 h MET 79 CO 0.57 0.14 0.00 -0.85 1.06 0.00 0.00 176.91 177.83 2if7 n GLU 80 N -4.41 0.78 0.00 1.72 0.28 -1.26 -2.24 120.64 115.51 2if7 n GLU 80 Ca 0.20 0.00 0.14 0.00 -0.16 0.00 0.00 57.16 57.34 2if7 n GLU 80 Cb 0.84 -1.50 0.66 0.00 1.43 0.00 0.00 31.44 32.87 2if7 n GLU 80 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2if7 n ASP 81 N -1.00 0.45 -4.68 -1.84 8.00 -0.13 -4.86 116.55 112.49 2if7 n ASP 81 Ca 0.19 -0.66 -0.38 0.00 0.71 0.00 0.00 54.79 54.65 2if7 n ASP 81 Cb 0.09 -0.08 0.05 0.00 -0.02 0.00 0.00 41.12 41.16 2if7 n ASP 81 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2if7 n THR 82 N -0.90 4.00 0.00 -3.53 -1.04 -0.95 -4.87 114.28 106.99 2if7 n THR 82 Ca 0.16 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.67 2if7 n THR 82 Cb 0.26 -1.37 0.00 0.00 -1.82 0.00 0.00 70.33 67.40 2if7 n THR 82 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2if7 n GLY 83 N 1.06 0.81 3.74 3.41 0.00 -0.95 -4.99 105.19 108.27 2if7 n GLY 83 Ca 0.13 -2.11 -0.40 0.00 0.00 0.00 0.00 46.02 43.64 2if7 n GLY 83 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2if7 s SER 84 N -1.77 7.24 -0.18 1.61 0.15 -1.26 -1.79 113.70 117.70 2if7 s SER 84 Ca 0.00 1.48 0.01 0.00 0.70 0.00 0.00 55.95 58.13 2if7 s SER 84 Cb 0.00 -2.48 0.04 0.00 -1.71 0.00 0.00 66.02 61.86 2if7 s SER 84 CO 0.00 -0.01 -0.11 -0.31 1.20 0.00 0.00 173.24 174.01 2if7 s TYR 85 N 0.03 2.28 0.08 3.44 1.51 0.04 -0.59 117.35 124.14 2if7 s TYR 85 Ca 0.40 -1.42 0.07 0.00 -1.01 0.00 0.00 57.07 55.11 2if7 s TYR 85 Cb -0.21 -1.60 -0.03 0.00 -0.11 0.00 0.00 41.96 40.01 2if7 s TYR 85 CO 0.24 -0.71 -0.19 -0.98 -1.11 0.00 0.00 175.55 172.80 2if7 s ARG 86 N 1.44 1.08 -0.20 -0.62 1.70 -0.29 0.52 118.95 122.60 2if7 s ARG 86 Ca 0.01 -1.06 0.01 0.00 -0.47 0.00 0.00 55.73 54.22 2if7 s ARG 86 Cb -0.15 -1.26 0.03 0.00 -0.57 0.00 0.00 34.95 33.00 2if7 s ARG 86 CO -0.09 0.30 -0.17 0.00 -1.08 0.00 0.00 175.30 174.25 2if7 s ALA 87 N -1.12 2.41 -0.27 7.88 0.00 0.24 -0.21 121.76 130.69 2if7 s ALA 87 Ca 0.05 -1.34 -0.17 0.00 0.00 0.00 0.00 51.96 50.50 2if7 s ALA 87 Cb -0.10 -1.30 -0.03 0.00 0.00 0.00 0.00 23.12 21.69 2if7 s ALA 87 CO 0.03 -0.54 0.45 -1.14 0.00 0.00 0.00 175.76 174.56 2if7 s GLN 88 N 1.26 4.03 -0.91 0.00 0.74 -0.62 -0.77 119.66 123.39 2if7 s GLN 88 Ca 0.02 0.18 -0.15 0.00 0.05 0.00 0.00 55.36 55.46 2if7 s GLN 88 Cb -0.15 -3.66 0.19 0.00 1.10 0.00 0.00 33.01 30.49 2if7 s GLN 88 CO -0.11 -0.33 0.96 0.42 -0.55 0.00 0.00 175.29 175.69 2if7 s ILE 89 N 2.20 5.28 -1.24 -2.34 -1.09 0.30 -2.65 121.20 121.66 2if7 s ILE 89 Ca 0.18 -2.21 -0.17 0.00 -2.23 0.00 0.00 60.65 56.21 2if7 s ILE 89 Cb -0.16 -4.62 0.10 0.00 -1.58 0.00 0.00 42.46 36.20 2if7 s ILE 89 CO 0.10 -1.25 1.62 -0.55 -1.23 0.00 0.00 174.94 173.63 2if7 s SER 90 N 2.68 6.87 0.94 3.58 0.15 -0.11 -1.21 113.70 126.60 2if7 s SER 90 Ca 0.26 -2.50 -0.10 0.00 0.70 0.00 0.00 55.95 54.31 2if7 s SER 90 Cb -0.08 -2.53 0.14 0.00 -1.71 0.00 0.00 66.02 61.85 2if7 s SER 90 CO -0.09 -1.09 0.87 1.07 1.20 0.00 0.00 173.24 175.20 2if7 n THR 91 N 5.97 0.00 0.26 6.45 5.66 0.19 -1.80 114.28 131.01 2if7 n THR 91 Ca 0.44 -0.73 0.16 0.00 -3.05 0.00 0.00 64.05 60.87 2if7 n THR 91 Cb 0.46 -1.57 0.55 0.00 -1.55 0.00 0.00 70.33 68.22 2if7 n THR 91 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 2if7 h LYS 92 N 0.00 0.00 0.00 1.09 3.64 -1.94 -3.31 116.57 116.05 2if7 h LYS 92 Ca -0.28 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.09 2if7 h LYS 92 Cb 0.81 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.63 2if7 h LYS 92 CO 0.21 0.01 -1.08 0.25 -2.27 0.00 0.00 179.45 176.57 2if7 n THR 93 N -3.11 0.04 -3.21 1.00 -2.24 -1.26 -5.11 114.28 100.38 2if7 n THR 93 Ca 0.01 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2if7 n THR 93 Cb 0.37 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 2if7 n THR 93 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2if7 n SER 94 N -1.76 0.00 -3.30 3.42 3.41 -1.25 -5.14 113.62 109.01 2if7 n SER 94 Ca -0.01 -0.76 -0.20 0.00 -0.26 0.00 0.00 58.87 57.64 2if7 n SER 94 Cb 0.24 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.12 2if7 n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2if7 s ALA 95 N -1.45 0.10 0.08 7.33 0.00 -1.25 -0.64 121.76 125.93 2if7 s ALA 95 Ca 0.00 -1.50 -0.31 0.00 0.00 0.00 0.00 51.96 50.16 2if7 s ALA 95 Cb 0.00 -1.94 -0.09 0.00 0.00 0.00 0.00 23.12 21.09 2if7 s ALA 95 CO 0.00 -2.10 1.69 0.21 0.00 0.00 0.00 175.76 175.56 2if7 s LYS 96 N 0.87 4.18 -0.38 0.00 2.47 -0.35 -4.56 119.74 121.98 2if7 s LYS 96 Ca 0.24 2.39 -0.04 0.00 -1.56 0.00 0.00 55.97 57.00 2if7 s LYS 96 Cb -0.08 -3.60 0.08 0.00 -1.46 0.00 0.00 37.83 32.77 2if7 s LYS 96 CO -0.08 -0.76 0.15 -1.17 0.16 0.00 0.00 175.35 173.66 2if7 s LEU 97 N 2.67 4.78 -0.34 5.43 0.20 -1.26 0.11 118.68 130.27 2if7 s LEU 97 Ca 0.75 -1.64 -0.12 0.00 0.69 0.00 0.00 54.13 53.82 2if7 s LEU 97 Cb -0.41 -1.83 -0.01 0.00 -0.43 0.00 0.00 46.19 43.51 2if7 s LEU 97 CO 0.33 -0.45 0.22 -0.55 -0.29 0.00 0.00 176.35 175.61 2if7 s SER 98 N 1.69 5.90 0.22 3.68 0.15 0.05 -4.90 113.70 120.50 2if7 s SER 98 Ca 0.03 -0.53 0.07 0.00 0.70 0.00 0.00 55.95 56.21 2if7 s SER 98 Cb -0.22 -2.09 -0.04 0.00 -1.71 0.00 0.00 66.02 61.96 2if7 s SER 98 CO -0.01 -0.25 0.15 -0.44 1.20 0.00 0.00 173.24 173.88 2if7 s SER 99 N 1.68 5.39 -0.03 5.45 0.01 -1.26 0.81 113.70 125.75 2if7 s SER 99 Ca 0.05 -0.25 -0.09 0.00 1.31 0.00 0.00 55.95 56.97 2if7 s SER 99 Cb -0.18 -1.34 0.01 0.00 0.21 0.00 0.00 66.02 64.72 2if7 s SER 99 CO 0.09 0.01 0.19 -0.31 0.41 0.00 0.00 173.24 173.63 2if7 s TYR 100 N -2.00 -0.09 -0.17 2.43 1.51 0.19 -2.42 117.35 116.80 2if7 s TYR 100 Ca 0.32 0.16 0.00 0.00 -1.01 0.00 0.00 57.07 56.54 2if7 s TYR 100 Cb -0.09 0.02 0.00 0.00 -0.11 0.00 0.00 41.96 41.79 2if7 s TYR 100 CO 0.24 -0.25 -0.15 0.99 -1.11 0.00 0.00 175.55 175.26 2if7 s THR 101 N -0.89 2.55 -0.23 -0.71 2.01 -1.21 -0.78 115.64 116.38 2if7 s THR 101 Ca -0.10 -0.79 -0.07 0.00 0.31 0.00 0.00 61.69 61.04 2if7 s THR 101 Cb -0.05 -2.09 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 2if7 s THR 101 CO 0.02 0.51 0.05 -0.22 -0.69 0.00 0.00 174.62 174.29 2if7 s LEU 102 N 1.04 3.42 0.05 4.42 2.96 -0.74 -0.97 118.68 128.86 2if7 s LEU 102 Ca -0.01 -0.18 0.04 0.00 -0.22 0.00 0.00 54.13 53.76 2if7 s LEU 102 Cb -0.15 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 2if7 s LEU 102 CO -0.04 0.02 -0.03 -0.13 -1.32 0.00 0.00 176.35 174.84 2if7 s ARG 103 N 1.30 2.55 -0.13 1.98 0.52 -0.77 -2.25 118.95 122.15 2if7 s ARG 103 Ca 0.05 -0.78 0.00 0.00 -0.52 0.00 0.00 55.73 54.48 2if7 s ARG 103 Cb -0.15 -2.53 0.02 0.00 0.52 0.00 0.00 34.95 32.82 2if7 s ARG 103 CO 0.03 0.57 -0.12 0.42 0.02 0.00 0.00 175.30 176.22 2if7 s ILE 104 N -1.16 1.38 0.19 1.52 1.01 -1.26 -0.99 121.20 121.88 2if7 s ILE 104 Ca 0.21 -0.51 0.11 0.00 0.00 0.00 0.00 60.65 60.46 2if7 s ILE 104 Cb -0.11 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 2if7 s ILE 104 CO 0.13 0.43 -0.22 -0.76 0.00 0.00 0.00 174.94 174.52 2if7 s LEU 105 N 1.53 2.53 0.24 2.97 1.02 -1.02 -4.88 118.68 121.07 2if7 s LEU 105 Ca 0.04 -0.81 -0.16 0.00 0.02 0.00 0.00 54.13 53.23 2if7 s LEU 105 Cb -0.13 -1.26 -0.08 0.00 0.02 0.00 0.00 46.19 44.74 2if7 s LEU 105 CO -0.09 0.12 0.67 -0.13 0.02 0.00 0.00 176.35 176.94 2if7 s ARG 106 N -2.66 4.07 0.25 1.70 0.52 -1.26 -2.34 118.95 119.22 2if7 s ARG 106 Ca 0.21 0.66 -0.31 0.00 -0.52 0.00 0.00 55.73 55.77 2if7 s ARG 106 Cb -0.08 -2.73 -0.12 0.00 0.52 0.00 0.00 34.95 32.54 2if7 s ARG 106 CO 0.11 0.33 1.55 0.94 0.02 0.00 0.00 175.30 178.25 2if7 n GLN 107 N 0.31 2.45 -2.07 3.54 -0.06 -1.26 -4.87 117.38 115.42 2if7 n GLN 107 Ca -0.01 0.88 -0.40 0.00 -2.00 0.00 0.00 57.00 55.46 2if7 n GLN 107 Cb 0.52 -2.63 -0.02 0.00 -4.06 0.00 0.00 30.24 24.06 2if7 n GLN 107 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2if7 s LEU 108 N 0.06 4.37 0.08 1.69 1.43 -1.26 -5.00 118.68 120.05 2if7 s LEU 108 Ca 0.68 2.72 0.07 0.00 -1.03 0.00 0.00 54.13 56.57 2if7 s LEU 108 Cb -0.56 -3.71 -0.03 0.00 0.03 0.00 0.00 46.19 41.92 2if7 s LEU 108 CO 0.46 -0.64 -0.19 -0.13 0.23 0.00 0.00 176.35 176.08 2if7 s ARG 109 N -1.93 1.09 -0.55 1.70 1.81 -1.26 -4.95 118.95 114.86 2if7 s ARG 109 Ca 0.51 -1.05 -0.20 0.00 -1.72 0.00 0.00 55.73 53.26 2if7 s ARG 109 Cb -0.40 -1.26 0.03 0.00 -0.45 0.00 0.00 34.95 32.87 2if7 s ARG 109 CO 0.53 0.30 0.64 0.09 -0.68 0.00 0.00 175.30 176.18 2if7 n ASN 110 N 1.31 -6.39 -4.72 0.23 5.03 -1.26 -1.47 115.26 107.99 2if7 n ASN 110 Ca -0.19 -0.10 -0.41 0.00 0.87 0.00 0.00 54.58 54.74 2if7 n ASN 110 Cb 0.54 -3.21 -0.04 0.00 -1.02 0.00 0.00 39.78 36.05 2if7 n ASN 110 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 2if7 s ILE 111 N -2.28 4.43 0.07 2.41 2.07 -1.26 -2.77 121.20 123.87 2if7 s ILE 111 Ca 0.22 1.90 0.07 0.00 -1.41 0.00 0.00 60.65 61.43 2if7 s ILE 111 Cb -0.04 -4.21 -0.03 0.00 0.13 0.00 0.00 42.46 38.31 2if7 s ILE 111 CO 0.83 0.23 -0.18 -1.10 -1.91 0.00 0.00 174.94 172.82 2if7 s GLN 112 N 0.39 1.05 -0.14 3.50 -0.21 0.20 -4.97 119.66 119.49 2if7 s GLN 112 Ca 0.51 -0.99 0.01 0.00 0.02 0.00 0.00 55.36 54.91 2if7 s GLN 112 Cb -0.25 -1.17 -0.00 0.00 1.00 0.00 0.00 33.01 32.59 2if7 s GLN 112 CO 0.30 0.28 -0.17 0.08 -2.12 0.00 0.00 175.29 173.66 2if7 s VAL 113 N -1.06 2.58 -0.19 1.09 1.01 -1.26 -0.72 120.40 121.85 2if7 s VAL 113 Ca 0.03 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 2if7 s VAL 113 Cb -0.09 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 2if7 s VAL 113 CO 0.03 0.53 -0.03 0.28 0.00 0.00 0.00 175.10 175.90 2if7 s THR 114 N 0.66 3.73 0.32 3.92 -1.32 0.55 -4.92 115.64 118.57 2if7 s THR 114 Ca -0.09 -0.40 -0.29 0.00 -1.21 0.00 0.00 61.69 59.71 2if7 s THR 114 Cb -0.16 -2.66 -0.10 0.00 -1.51 0.00 0.00 72.50 68.07 2if7 s THR 114 CO 0.02 0.45 1.20 0.21 -2.21 0.00 0.00 174.62 174.30 2if7 s ASN 115 N 0.87 6.94 -0.10 8.08 3.04 -1.26 -1.69 114.94 130.83 2if7 s ASN 115 Ca -0.00 2.47 0.14 0.00 0.04 0.00 0.00 52.86 55.50 2if7 s ASN 115 Cb -0.14 -2.64 0.22 0.00 -1.54 0.00 0.00 41.25 37.15 2if7 s ASN 115 CO 0.02 -0.39 1.11 1.41 -3.04 0.00 0.00 177.10 176.21 2if7 n HIS 116 N 0.86 0.00 -2.93 0.43 8.25 0.14 -4.97 115.22 117.00 2if7 n HIS 116 Ca 0.00 -0.75 -0.22 0.00 -0.26 0.00 0.00 57.72 56.49 2if7 n HIS 116 Cb 0.44 -0.13 0.02 0.00 1.12 0.00 0.00 29.99 31.43 2if7 n HIS 116 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2if7 s SER 117 N -2.39 5.71 0.58 0.41 0.01 -1.25 -4.68 113.70 112.10 2if7 s SER 117 Ca 0.24 0.19 -0.16 0.00 1.31 0.00 0.00 55.95 57.53 2if7 s SER 117 Cb 0.21 -1.36 -0.04 0.00 0.21 0.00 0.00 66.02 65.04 2if7 s SER 117 CO 0.01 -0.79 1.04 -1.10 0.41 0.00 0.00 173.24 172.82 2if7 s GLN 118 N -4.58 3.44 0.05 12.44 -0.21 -1.26 -5.03 119.66 124.51 2if7 s GLN 118 Ca 0.50 1.14 -0.08 0.00 0.02 0.00 0.00 55.36 56.94 2if7 s GLN 118 Cb -0.10 -2.05 -0.05 0.00 1.00 0.00 0.00 33.01 31.80 2if7 s GLN 118 CO 0.38 -0.71 0.34 -0.51 -2.12 0.00 0.00 175.29 172.66 2if7 s LEU 119 N -4.46 4.36 -0.99 2.90 1.43 -1.26 -4.59 118.68 116.07 2if7 s LEU 119 Ca 0.62 0.67 -0.00 0.00 -1.03 0.00 0.00 54.13 54.39 2if7 s LEU 119 Cb -0.15 -2.85 -0.00 0.00 0.03 0.00 0.00 46.19 43.22 2if7 s LEU 119 CO 0.37 0.20 0.82 0.49 0.23 0.00 0.00 176.35 178.46 2if7 n PHE 120 N 0.96 -1.81 -2.57 0.29 3.72 -1.22 -4.95 117.46 111.87 2if7 n PHE 120 Ca -0.09 0.77 -0.40 0.00 -0.05 0.00 0.00 57.45 57.69 2if7 n PHE 120 Cb 0.52 -4.53 -0.05 0.00 -0.94 0.00 0.00 39.48 34.49 2if7 n PHE 120 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2if7 s GLN 121 N -5.09 4.64 0.38 -1.08 -0.21 -0.88 -5.02 119.66 112.40 2if7 s GLN 121 Ca 0.01 1.67 0.07 0.00 0.02 0.00 0.00 55.36 57.13 2if7 s GLN 121 Cb -0.00 -3.12 -0.00 0.00 1.00 0.00 0.00 33.01 30.88 2if7 s GLN 121 CO 0.60 0.26 0.49 0.54 -2.12 0.00 0.00 175.29 175.06 2if7 s ASN 122 N -1.07 5.68 0.77 5.90 2.20 -1.26 -4.70 114.94 122.45 2if7 s ASN 122 Ca 0.45 -0.38 0.00 0.00 -0.94 0.00 0.00 52.86 52.00 2if7 s ASN 122 Cb -0.29 -0.88 0.00 0.00 -2.00 0.00 0.00 41.25 38.09 2if7 s ASN 122 CO 0.36 -0.60 0.00 0.23 -2.94 0.00 0.00 177.10 174.15 2if7 n MET 123 N -1.71 0.00 -2.17 3.55 2.81 -1.26 -4.17 117.12 114.17 2if7 n MET 123 Ca 0.04 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.50 2if7 n MET 123 Cb 0.59 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 33.08 2if7 n MET 123 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 2if7 s THR 124 N 0.00 3.72 -0.01 2.03 -1.32 -1.26 -4.58 115.64 114.22 2if7 s THR 124 Ca 0.00 0.77 -0.19 0.00 -1.21 0.00 0.00 61.69 61.06 2if7 s THR 124 Cb 0.00 -3.87 -0.05 0.00 -1.51 0.00 0.00 72.50 67.07 2if7 s THR 124 CO 0.00 -0.48 0.53 0.00 -2.21 0.00 0.00 174.62 172.46 2if7 s GLU 126 N -0.38 1.92 0.15 0.00 -1.05 -1.26 -0.32 118.70 117.77 2if7 s GLU 126 Ca 0.28 -0.46 0.08 0.00 -0.15 0.00 0.00 54.97 54.72 2if7 s GLU 126 Cb -0.17 -1.66 -0.04 0.00 -0.44 0.00 0.00 34.13 31.81 2if7 s GLU 126 CO 0.15 -0.06 -0.12 -0.51 0.95 0.00 0.00 175.26 175.68 2if7 s LEU 127 N 0.98 2.93 -0.09 1.83 1.43 0.21 -4.55 118.68 121.42 2if7 s LEU 127 Ca -0.08 -0.52 -0.03 0.00 -1.03 0.00 0.00 54.13 52.47 2if7 s LEU 127 Cb -0.15 -1.68 0.04 0.00 0.03 0.00 0.00 46.19 44.43 2if7 s LEU 127 CO -0.01 0.14 0.07 -2.28 0.23 0.00 0.00 176.35 174.51 2if7 s HIS 128 N -1.45 0.10 0.07 0.29 2.46 -1.26 -2.46 115.29 113.03 2if7 s HIS 128 Ca 0.22 0.05 0.09 0.00 0.47 0.00 0.00 55.06 55.89 2if7 s HIS 128 Cb -0.10 -0.55 -0.03 0.00 -0.13 0.00 0.00 32.58 31.77 2if7 s HIS 128 CO 0.14 -0.31 -0.23 -0.51 -2.47 0.00 0.00 174.74 171.35 2if7 s LEU 129 N 2.16 2.21 -0.04 8.88 1.43 -0.58 0.26 118.68 133.00 2if7 s LEU 129 Ca 0.04 -0.60 0.04 0.00 -1.03 0.00 0.00 54.13 52.57 2if7 s LEU 129 Cb -0.13 -1.09 0.00 0.00 0.03 0.00 0.00 46.19 45.00 2if7 s LEU 129 CO -0.05 0.18 -0.15 -0.89 0.23 0.00 0.00 176.35 175.67 2if7 s THR 130 N -0.90 1.25 -0.00 5.49 2.01 -0.68 -1.31 115.64 121.50 2if7 s THR 130 Ca 0.10 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.50 2if7 s THR 130 Cb -0.10 -1.09 -0.04 0.00 0.01 0.00 0.00 72.50 71.29 2if7 s THR 130 CO 0.03 0.37 0.00 0.00 -0.69 0.00 0.00 174.62 174.33 2if7 s SER 132 N -1.54 -0.16 0.39 0.00 1.04 0.10 -4.72 113.70 108.81 2if7 s SER 132 Ca 0.19 -0.43 0.06 0.00 0.48 0.00 0.00 55.95 56.26 2if7 s SER 132 Cb -0.11 0.46 -0.07 0.00 0.10 0.00 0.00 66.02 66.39 2if7 s SER 132 CO 0.10 -0.85 0.02 0.68 0.98 0.00 0.00 173.24 174.17 2if7 s VAL 133 N -3.83 1.74 -0.04 5.02 -7.23 -1.26 0.62 120.40 115.42 2if7 s VAL 133 Ca 0.05 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.07 2if7 s VAL 133 Cb 0.02 -2.93 -0.32 0.00 0.56 0.00 0.00 36.38 33.72 2if7 s VAL 133 CO -0.10 0.00 0.77 -0.08 -0.31 0.00 0.00 175.10 175.37 2if7 h GLU 134 N 1.87 0.39 -0.80 4.82 4.57 -1.07 -3.27 114.58 121.10 2if7 h GLU 134 Ca -0.43 -0.67 0.19 0.00 -1.18 0.00 0.00 59.36 57.27 2if7 h GLU 134 Cb 1.24 0.25 -0.13 0.00 -0.16 0.00 0.00 28.75 29.95 2if7 h GLU 134 CO 0.77 1.32 0.10 -0.44 -1.18 0.00 0.00 179.01 179.59 2if7 h ASP 135 N -0.03 -0.19 -3.24 1.04 5.19 -1.90 -3.46 116.42 113.83 2if7 h ASP 135 Ca -0.29 0.19 -0.41 0.00 -0.62 0.00 0.00 57.03 55.90 2if7 h ASP 135 Cb 1.99 0.30 -0.00 0.00 0.18 0.00 0.00 39.33 41.80 2if7 h ASP 135 CO 0.18 -0.15 -0.55 0.00 -3.12 0.00 0.00 179.24 175.60 2if7 n ALA 136 N -2.83 -0.68 -1.99 3.45 0.00 -1.23 -5.00 120.51 112.23 2if7 n ALA 136 Ca 0.16 0.19 -0.29 0.00 0.00 0.00 0.00 53.44 53.51 2if7 n ALA 136 Cb 0.54 -2.51 0.04 0.00 0.00 0.00 0.00 19.45 17.52 2if7 n ALA 136 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2if7 s ASP 137 N -2.18 5.59 0.00 0.00 -1.08 -1.26 -4.98 116.67 112.76 2if7 s ASP 137 Ca 0.06 0.96 0.31 0.00 -0.52 0.00 0.00 52.55 53.35 2if7 s ASP 137 Cb -0.03 -1.88 1.60 0.00 -1.46 0.00 0.00 42.92 41.15 2if7 s ASP 137 CO 0.07 -1.16 2.08 0.47 0.52 0.00 0.00 175.17 177.15 2if7 n ASP 138 N -2.77 0.06 -0.42 -0.34 8.00 -1.26 -3.16 116.55 116.65 2if7 n ASP 138 Ca 0.05 -0.43 0.12 0.00 0.71 0.00 0.00 54.79 55.25 2if7 n ASP 138 Cb 0.57 -0.19 0.20 0.00 -0.02 0.00 0.00 41.12 41.69 2if7 n ASP 138 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2if7 n ASN 139 N -1.16 1.64 -4.80 -2.24 6.94 -1.26 -4.92 115.26 109.45 2if7 n ASN 139 Ca 0.17 -1.29 -0.36 0.00 -0.02 0.00 0.00 54.58 53.08 2if7 n ASN 139 Cb 0.21 0.27 -0.06 0.00 -2.36 0.00 0.00 39.78 37.83 2if7 n ASN 139 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2if7 s VAL 140 N -2.42 4.36 -0.02 3.53 0.11 -1.19 -4.59 120.40 120.18 2if7 s VAL 140 Ca 0.23 1.58 0.01 0.00 -2.93 0.00 0.00 61.98 60.87 2if7 s VAL 140 Cb 0.19 -3.87 0.01 0.00 -1.53 0.00 0.00 36.38 31.18 2if7 s VAL 140 CO 0.51 0.04 -0.02 -0.94 -3.33 0.00 0.00 175.10 171.36 2if7 s SER 141 N -1.78 0.49 0.03 3.54 1.04 -0.60 -4.95 113.70 111.47 2if7 s SER 141 Ca 0.51 -0.06 0.03 0.00 0.48 0.00 0.00 55.95 56.91 2if7 s SER 141 Cb -0.16 -0.18 -0.04 0.00 0.10 0.00 0.00 66.02 65.75 2if7 s SER 141 CO 0.21 -0.03 -0.00 -0.36 0.98 0.00 0.00 173.24 174.04 2if7 s PHE 142 N 0.51 3.04 -0.11 5.02 0.40 -1.26 -2.38 117.98 123.21 2if7 s PHE 142 Ca -0.05 0.04 -0.09 0.00 -0.60 0.00 0.00 56.93 56.23 2if7 s PHE 142 Cb -0.08 -1.63 0.03 0.00 0.51 0.00 0.00 43.02 41.85 2if7 s PHE 142 CO -0.01 0.46 0.27 -0.98 0.70 0.00 0.00 175.22 175.67 2if7 s ARG 143 N -1.79 0.30 0.00 0.44 1.70 -0.89 -1.80 118.95 116.91 2if7 s ARG 143 Ca 0.21 0.42 -0.07 0.00 -0.47 0.00 0.00 55.73 55.83 2if7 s ARG 143 Cb -0.12 0.10 -0.05 0.00 -0.57 0.00 0.00 34.95 34.31 2if7 s ARG 143 CO 0.13 -0.07 0.27 -1.58 -1.08 0.00 0.00 175.30 172.97 2if7 s TRP 144 N 0.40 3.59 0.00 5.89 0.52 0.11 -2.07 118.94 127.38 2if7 s TRP 144 Ca -0.02 0.60 0.01 0.00 0.02 0.00 0.00 56.10 56.70 2if7 s TRP 144 Cb -0.04 -2.00 -0.00 0.00 -1.15 0.00 0.00 33.47 30.27 2if7 s TRP 144 CO -0.02 0.62 -0.02 -1.21 0.02 0.00 0.00 176.95 176.34 2if7 s GLU 145 N -1.68 0.17 -0.09 4.98 2.02 0.06 -0.84 118.70 123.32 2if7 s GLU 145 Ca 0.27 -0.14 -0.10 0.00 0.02 0.00 0.00 54.97 55.01 2if7 s GLU 145 Cb -0.13 -0.12 0.03 0.00 0.10 0.00 0.00 34.13 34.01 2if7 s GLU 145 CO 0.15 0.03 0.28 0.00 0.02 0.00 0.00 175.26 175.74 2if7 s ALA 146 N -0.23 -0.70 -1.67 5.21 0.00 -0.54 -1.29 121.76 122.55 2if7 s ALA 146 Ca -0.01 0.72 -0.14 0.00 0.00 0.00 0.00 51.96 52.53 2if7 s ALA 146 Cb -0.02 -0.40 0.13 0.00 0.00 0.00 0.00 23.12 22.83 2if7 s ALA 146 CO -0.00 -0.15 0.58 1.28 0.00 0.00 0.00 175.76 177.47 2if7 n LEU 147 N 2.72 -1.51 0.00 0.00 4.77 -1.26 0.55 117.00 122.27 2if7 n LEU 147 Ca -0.14 -1.10 0.00 0.00 -0.03 0.00 0.00 56.01 54.74 2if7 n LEU 147 Cb 0.58 -1.94 0.00 0.00 -2.33 0.00 0.00 43.42 39.73 2if7 n LEU 147 CO 0.17 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 2if7 n GLY 148 N -1.59 0.85 3.60 -0.72 0.00 -1.26 -5.00 105.19 101.08 2if7 n GLY 148 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 2if7 n GLY 148 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2if7 s ASN 149 N -2.82 4.79 -0.61 1.61 0.02 0.19 -5.07 114.94 113.05 2if7 s ASN 149 Ca 0.00 0.01 -0.25 0.00 -1.02 0.00 0.00 52.86 51.60 2if7 s ASN 149 Cb 0.00 -1.27 0.04 0.00 0.02 0.00 0.00 41.25 40.04 2if7 s ASN 149 CO 0.00 0.36 1.07 -0.89 0.02 0.00 0.00 177.10 177.66 2if7 s THR 150 N -0.77 4.16 -0.03 1.60 2.01 -1.26 -1.47 115.64 119.88 2if7 s THR 150 Ca 0.12 0.34 0.11 0.00 0.31 0.00 0.00 61.69 62.57 2if7 s THR 150 Cb -0.11 -4.69 -0.07 0.00 0.01 0.00 0.00 72.50 67.65 2if7 s THR 150 CO 0.02 -1.38 1.35 -0.07 -0.69 0.00 0.00 174.62 173.85 2if7 h LEU 151 N 11.67 0.00 -7.00 4.42 3.38 -1.35 -3.47 115.31 122.97 2if7 h LEU 151 Ca -0.27 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 2if7 h LEU 151 Cb 1.06 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.61 2if7 h LEU 151 CO 1.17 0.73 0.28 -0.55 0.09 0.00 0.00 178.44 180.16 2if7 s SER 152 N -6.56 -0.59 -0.47 -0.43 0.15 -1.22 -4.96 113.70 99.63 2if7 s SER 152 Ca 0.02 0.72 0.03 0.00 0.70 0.00 0.00 55.95 57.43 2if7 s SER 152 Cb 0.09 0.59 0.44 0.00 -1.71 0.00 0.00 66.02 65.42 2if7 s SER 152 CO 0.78 -0.49 1.49 -1.20 1.20 0.00 0.00 173.24 175.02 2if7 n SER 153 N 1.09 5.91 -2.95 5.45 7.64 -1.26 0.08 113.62 129.58 2if7 n SER 153 Ca -0.16 -3.76 -0.09 0.00 1.01 0.00 0.00 58.87 55.86 2if7 n SER 153 Cb 0.57 -0.60 0.02 0.00 -1.01 0.00 0.00 64.21 63.18 2if7 n SER 153 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2if7 s GLN 154 N -3.70 2.21 0.33 1.43 -2.07 -0.75 -4.60 119.66 112.52 2if7 s GLN 154 Ca 0.55 -1.48 0.01 0.00 -1.82 0.00 0.00 55.36 52.62 2if7 s GLN 154 Cb 0.44 0.61 0.57 0.00 -1.09 0.00 0.00 33.01 33.54 2if7 s GLN 154 CO -0.05 -1.03 1.98 -1.35 -1.32 0.00 0.00 175.29 173.52 2if7 h PRO 155 N 2.01 0.93 -6.03 9.60 0.11 -1.84 -3.40 132.00 133.37 2if7 h PRO 155 Ca -0.32 -0.06 -0.58 0.00 0.11 0.00 0.00 66.00 65.15 2if7 h PRO 155 Cb 1.25 -0.21 -0.06 0.00 0.11 0.00 0.00 31.00 32.09 2if7 h PRO 155 CO 0.41 0.61 -0.11 -0.80 -0.21 0.00 0.00 178.00 177.90 2if7 s ASN 156 N -6.34 6.89 -0.13 -2.05 -0.87 -1.26 -1.56 114.94 109.62 2if7 s ASN 156 Ca -0.11 1.05 0.01 0.00 -1.57 0.00 0.00 52.86 52.25 2if7 s ASN 156 Cb 0.18 -2.31 -0.01 0.00 -0.02 0.00 0.00 41.25 39.10 2if7 s ASN 156 CO 0.78 0.20 -0.17 -0.22 -2.57 0.00 0.00 177.10 175.12 2if7 s LEU 157 N -0.58 2.44 -0.15 0.60 0.20 -0.42 -4.85 118.68 115.91 2if7 s LEU 157 Ca 0.27 -0.45 0.01 0.00 0.69 0.00 0.00 54.13 54.65 2if7 s LEU 157 Cb -0.17 -1.53 0.02 0.00 -0.43 0.00 0.00 46.19 44.07 2if7 s LEU 157 CO 0.15 0.14 -0.18 0.42 -0.29 0.00 0.00 176.35 176.59 2if7 s THR 158 N 0.50 1.83 0.05 3.68 -4.23 -1.26 -1.53 115.64 114.68 2if7 s THR 158 Ca -0.12 -0.81 -0.07 0.00 -1.18 0.00 0.00 61.69 59.51 2if7 s THR 158 Cb -0.16 -1.67 -0.00 0.00 1.34 0.00 0.00 72.50 72.00 2if7 s THR 158 CO 0.05 0.50 0.15 0.68 -0.54 0.00 0.00 174.62 175.46 2if7 s VAL 159 N 1.22 0.13 0.16 2.29 -7.23 -1.03 -5.00 120.40 110.93 2if7 s VAL 159 Ca 0.01 -1.06 0.07 0.00 -1.81 0.00 0.00 61.98 59.19 2if7 s VAL 159 Cb -0.14 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.76 2if7 s VAL 159 CO -0.09 -0.58 0.02 -0.44 -0.31 0.00 0.00 175.10 173.70 2if7 s SER 160 N -2.27 4.90 -0.11 4.85 0.01 -1.26 -0.62 113.70 119.21 2if7 s SER 160 Ca -0.03 -0.33 -0.12 0.00 1.31 0.00 0.00 55.95 56.78 2if7 s SER 160 Cb 0.00 -1.10 0.03 0.00 0.21 0.00 0.00 66.02 65.17 2if7 s SER 160 CO -0.06 0.10 0.34 0.86 0.41 0.00 0.00 173.24 174.89 2if7 s TRP 161 N -1.65 -0.34 -0.05 2.43 -0.00 0.57 -5.00 118.94 114.90 2if7 s TRP 161 Ca 0.27 0.81 -0.00 0.00 -0.00 0.00 0.00 56.10 57.19 2if7 s TRP 161 Cb -0.10 0.12 0.03 0.00 -0.00 0.00 0.00 33.47 33.52 2if7 s TRP 161 CO 0.19 -0.21 0.00 0.34 -0.00 0.00 0.00 176.95 177.27 2if7 s ASP 162 N -0.05 0.97 0.44 5.86 -1.08 -1.26 -0.50 116.67 121.05 2if7 s ASP 162 Ca -0.02 -0.04 0.30 0.00 -0.52 0.00 0.00 52.55 52.27 2if7 s ASP 162 Cb -0.03 -0.31 1.55 0.00 -1.46 0.00 0.00 42.92 42.67 2if7 s ASP 162 CO 0.01 -0.15 1.91 1.55 0.52 0.00 0.00 175.17 179.02 2if7 h PRO 163 N 7.77 0.00 0.00 4.34 0.13 -1.85 0.25 132.00 142.63 2if7 h PRO 163 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2if7 h PRO 163 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2if7 h PRO 163 CO 0.36 0.00 -0.76 0.00 -0.23 0.00 0.00 178.00 177.37 2if7 h ARG 164 N 0.00 0.00 0.00 0.86 3.08 -1.95 -3.39 114.38 112.97 2if7 h ARG 164 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2if7 h ARG 164 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2if7 h ARG 164 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 179.97 179.34 2if7 n ILE 165 N -2.19 0.00 -3.92 2.04 -5.35 -0.86 -5.08 119.36 104.00 2if7 n ILE 165 Ca 0.02 0.00 -0.33 0.00 -0.27 0.00 0.00 62.75 62.18 2if7 n ILE 165 Cb 0.46 1.50 -0.05 0.00 -1.74 0.00 0.00 39.64 39.81 2if7 n ILE 165 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2if7 s SER 166 N 0.00 6.32 0.50 7.28 0.01 0.82 -4.99 113.70 123.64 2if7 s SER 166 Ca 0.00 0.31 -0.20 0.00 1.31 0.00 0.00 55.95 57.37 2if7 s SER 166 Cb 0.00 -1.97 -0.08 0.00 0.21 0.00 0.00 66.02 64.19 2if7 s SER 166 CO 0.00 0.24 1.07 -0.44 0.41 0.00 0.00 173.24 174.52 2if7 s SER 167 N -2.08 6.16 0.34 2.44 0.01 -1.26 -4.74 113.70 114.57 2if7 s SER 167 Ca 0.29 2.01 -0.29 0.00 1.31 0.00 0.00 55.95 59.27 2if7 s SER 167 Cb -0.13 -2.57 -0.11 0.00 0.21 0.00 0.00 66.02 63.43 2if7 s SER 167 CO 0.21 -0.91 1.43 -1.61 0.41 0.00 0.00 173.24 172.77 2if7 s GLU 168 N -3.23 4.21 -0.05 12.44 2.02 -1.26 -4.98 118.70 127.84 2if7 s GLU 168 Ca 0.69 2.43 -0.30 0.00 0.02 0.00 0.00 54.97 57.81 2if7 s GLU 168 Cb -0.19 -3.02 0.11 0.00 0.10 0.00 0.00 34.13 31.13 2if7 s GLU 168 CO 0.22 -0.42 0.95 1.14 0.02 0.00 0.00 175.26 177.18 2if7 s GLN 169 N -1.68 0.71 -0.13 1.61 -2.07 -1.26 -5.06 119.66 111.78 2if7 s GLN 169 Ca 0.53 -0.24 -0.05 0.00 -1.82 0.00 0.00 55.36 53.78 2if7 s GLN 169 Cb -0.44 0.33 -0.04 0.00 -1.09 0.00 0.00 33.01 31.77 2if7 s GLN 169 CO 0.56 -0.31 0.05 -0.51 -1.32 0.00 0.00 175.29 173.77 2if7 s ASP 170 N -2.34 5.60 0.20 12.60 1.01 -1.26 -1.64 116.67 130.83 2if7 s ASP 170 Ca 0.05 0.19 -0.22 0.00 0.71 0.00 0.00 52.55 53.28 2if7 s ASP 170 Cb -0.01 -1.77 -0.08 0.00 1.01 0.00 0.00 42.92 42.07 2if7 s ASP 170 CO -0.08 0.31 0.75 -0.31 0.21 0.00 0.00 175.17 176.06 2if7 s TYR 171 N -0.47 3.77 -0.03 4.23 2.02 0.13 -4.46 117.35 122.53 2if7 s TYR 171 Ca 0.10 1.51 -0.00 0.00 -0.37 0.00 0.00 57.07 58.30 2if7 s TYR 171 Cb -0.12 -2.69 0.03 0.00 -0.40 0.00 0.00 41.96 38.78 2if7 s TYR 171 CO 0.02 0.42 0.02 0.99 -1.57 0.00 0.00 175.55 175.43 2if7 s THR 172 N -1.35 0.08 -0.13 -0.71 2.01 -0.41 -1.42 115.64 113.70 2if7 s THR 172 Ca 0.40 0.19 -0.04 0.00 0.31 0.00 0.00 61.69 62.55 2if7 s THR 172 Cb -0.20 -0.23 -0.03 0.00 0.01 0.00 0.00 72.50 72.05 2if7 s THR 172 CO 0.23 0.15 0.02 0.00 -0.69 0.00 0.00 174.62 174.33 2if7 s ILE 174 N -0.24 2.01 0.04 0.00 1.09 -0.88 -0.30 121.20 122.92 2if7 s ILE 174 Ca 0.06 -0.92 0.02 0.00 -1.10 0.00 0.00 60.65 58.71 2if7 s ILE 174 Cb -0.12 -1.81 -0.04 0.00 -1.06 0.00 0.00 42.46 39.42 2if7 s ILE 174 CO 0.02 0.53 0.07 0.00 -0.10 0.00 0.00 174.94 175.46 2if7 s ALA 175 N 1.22 3.52 -0.18 9.38 0.00 -0.14 -2.10 121.76 133.46 2if7 s ALA 175 Ca 0.03 -0.95 -0.28 0.00 0.00 0.00 0.00 51.96 50.76 2if7 s ALA 175 Cb -0.13 -1.47 0.09 0.00 0.00 0.00 0.00 23.12 21.61 2if7 s ALA 175 CO -0.11 0.71 0.80 -1.83 0.00 0.00 0.00 175.76 175.34 2if7 s GLU 176 N -2.01 0.82 0.40 0.00 -1.05 -1.00 -1.20 118.70 114.66 2if7 s GLU 176 Ca 0.25 0.53 0.01 0.00 -0.15 0.00 0.00 54.97 55.61 2if7 s GLU 176 Cb -0.12 0.39 -0.00 0.00 -0.44 0.00 0.00 34.13 33.96 2if7 s GLU 176 CO 0.17 -0.19 0.04 0.27 0.95 0.00 0.00 175.26 176.50 2if7 n ASN 177 N 1.66 2.52 -0.47 0.83 0.23 -0.24 -1.56 115.26 118.23 2if7 n ASN 177 Ca -0.15 -2.88 0.39 0.00 -0.53 0.00 0.00 54.58 51.42 2if7 n ASN 177 Cb 0.56 0.50 0.71 0.00 -2.08 0.00 0.00 39.78 39.47 2if7 n ASN 177 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2if7 h ALA 178 N 1.34 3.08 0.00 -2.53 0.00 -1.97 -2.97 119.26 116.22 2if7 h ALA 178 Ca -0.33 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2if7 h ALA 178 Cb 1.07 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2if7 h ALA 178 CO 0.54 -1.59 0.00 1.33 0.00 0.00 0.00 179.25 179.52 2if7 n VAL 179 N -4.35 0.00 -3.75 0.00 0.24 -1.26 -5.08 118.33 104.13 2if7 n VAL 179 Ca 0.35 -0.49 -0.08 0.00 -2.04 0.00 0.00 64.34 62.07 2if7 n VAL 179 Cb 1.48 1.00 -0.02 0.00 -1.47 0.00 0.00 33.84 34.83 2if7 n VAL 179 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2if7 s SER 180 N -0.59 -0.34 0.07 -1.34 1.04 -1.12 -5.01 113.70 106.42 2if7 s SER 180 Ca 0.00 -0.45 -0.15 0.00 0.48 0.00 0.00 55.95 55.83 2if7 s SER 180 Cb 0.00 0.69 0.03 0.00 0.10 0.00 0.00 66.02 66.84 2if7 s SER 180 CO 0.00 -1.24 0.34 0.54 0.98 0.00 0.00 173.24 173.86 2if7 s ASN 181 N -2.88 -0.16 0.06 7.02 2.20 -1.26 -1.08 114.94 118.85 2if7 s ASN 181 Ca 0.08 -0.25 0.01 0.00 -0.94 0.00 0.00 52.86 51.76 2if7 s ASN 181 Cb -0.05 0.41 -0.03 0.00 -2.00 0.00 0.00 41.25 39.58 2if7 s ASN 181 CO 0.02 -0.72 -0.05 -0.76 -2.94 0.00 0.00 177.10 172.65 2if7 s LEU 182 N -2.39 2.40 -0.02 3.54 1.43 -0.34 -4.98 118.68 118.32 2if7 s LEU 182 Ca -0.01 -0.81 0.01 0.00 -1.03 0.00 0.00 54.13 52.29 2if7 s LEU 182 Cb 0.01 -0.00 0.01 0.00 0.03 0.00 0.00 46.19 46.24 2if7 s LEU 182 CO -0.07 -0.40 -0.02 -0.94 0.23 0.00 0.00 176.35 175.14 2if7 s SER 183 N -2.38 0.49 0.05 2.29 1.04 -1.26 -0.97 113.70 112.97 2if7 s SER 183 Ca 0.01 -0.06 0.08 0.00 0.48 0.00 0.00 55.95 56.45 2if7 s SER 183 Cb -0.00 -0.16 -0.03 0.00 0.10 0.00 0.00 66.02 65.92 2if7 s SER 183 CO -0.04 -0.02 -0.22 0.12 0.98 0.00 0.00 173.24 174.06 2if7 s PHE 184 N 0.45 1.93 -0.02 5.02 2.19 0.59 -4.96 117.98 123.18 2if7 s PHE 184 Ca -0.05 -0.39 0.01 0.00 0.33 0.00 0.00 56.93 56.83 2if7 s PHE 184 Cb -0.08 -1.14 0.02 0.00 -1.31 0.00 0.00 43.02 40.51 2if7 s PHE 184 CO -0.01 0.12 -0.01 0.45 1.83 0.00 0.00 175.22 177.60 2if7 s SER 185 N -1.28 0.40 0.03 6.13 0.15 -1.26 -0.13 113.70 117.74 2if7 s SER 185 Ca 0.08 -0.04 0.02 0.00 0.70 0.00 0.00 55.95 56.71 2if7 s SER 185 Cb -0.09 -0.15 -0.02 0.00 -1.71 0.00 0.00 66.02 64.05 2if7 s SER 185 CO 0.02 -0.04 -0.07 0.68 1.20 0.00 0.00 173.24 175.03 2if7 s VAL 186 N 0.57 0.51 -0.10 4.45 -7.23 -0.51 -5.00 120.40 113.09 2if7 s VAL 186 Ca -0.06 -0.80 -0.08 0.00 -1.81 0.00 0.00 61.98 59.24 2if7 s VAL 186 Cb -0.09 -0.53 -0.04 0.00 0.56 0.00 0.00 36.38 36.28 2if7 s VAL 186 CO -0.01 -0.21 0.17 -0.94 -0.31 0.00 0.00 175.10 173.79 2if7 s SER 187 N -1.10 6.43 0.23 4.85 1.04 -1.26 0.23 113.70 124.12 2if7 s SER 187 Ca -0.06 0.51 -0.06 0.00 0.48 0.00 0.00 55.95 56.82 2if7 s SER 187 Cb -0.07 -2.08 0.39 0.00 0.10 0.00 0.00 66.02 64.35 2if7 s SER 187 CO 0.00 0.40 1.75 0.00 0.98 0.00 0.00 173.24 176.37 2if7 h ALA 188 N 4.91 1.00 -0.40 5.32 0.00 -1.69 -1.57 119.26 126.84 2if7 h ALA 188 Ca -0.54 0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.53 2if7 h ALA 188 Cb 1.23 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 2if7 h ALA 188 CO 0.59 -0.14 -0.07 0.37 0.00 0.00 0.00 179.25 179.99 2if7 h GLN 189 N 0.50 0.03 0.00 0.00 4.15 -1.94 0.47 115.11 118.32 2if7 h GLN 189 Ca 0.38 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.79 2if7 h GLN 189 Cb 0.50 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.18 2if7 h GLN 189 CO -0.34 0.02 -0.01 -0.22 -1.93 0.00 0.00 178.83 176.35 2if7 h LYS 190 N 0.03 0.00 0.00 1.69 1.63 -1.57 -1.83 116.57 116.52 2if7 h LYS 190 Ca 0.19 0.00 -0.25 0.00 -0.85 0.00 0.00 60.65 59.74 2if7 h LYS 190 Cb 0.29 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.88 2if7 h LYS 190 CO -0.39 0.01 -1.82 1.28 -3.45 0.00 0.00 179.45 175.08 2if7 n LEU 191 N -3.29 0.57 -0.12 5.20 4.77 0.04 -4.67 117.00 119.49 2if7 n LEU 191 Ca -0.03 0.26 -0.26 0.00 -0.03 0.00 0.00 56.01 55.96 2if7 n LEU 191 Cb 0.10 0.22 -0.09 0.00 -2.33 0.00 0.00 43.42 41.31 2if7 n LEU 191 CO 0.23 0.31 -1.34 0.00 -1.33 0.00 0.00 177.39 175.25