#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2if7 n THR 4 N 0.00 0.00 -2.42 1.96 -2.24 -1.26 -5.07 114.28 105.25 2if7 n THR 4 Ca 0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 2if7 n THR 4 Cb 0.00 -0.03 0.05 0.00 -2.10 0.00 0.00 70.33 68.25 2if7 n THR 4 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2if7 n PRO 5 N -0.17 0.33 -3.31 -0.78 -0.04 -1.26 -5.12 135.00 124.65 2if7 n PRO 5 Ca 0.00 -1.15 -0.45 0.00 -0.04 0.00 0.00 63.50 61.86 2if7 n PRO 5 Cb 0.00 -0.27 -0.07 0.00 -0.04 0.00 0.00 33.50 33.12 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 0.00 5.57 0.16 1.53 2.96 -0.99 -4.87 118.68 123.04 2if7 s LEU 6 Ca 0.28 -1.32 -0.34 0.00 -0.22 0.00 0.00 54.13 52.53 2if7 s LEU 6 Cb -0.02 -2.25 -0.14 0.00 0.50 0.00 0.00 46.19 44.28 2if7 s LEU 6 CO 0.18 -0.76 1.56 1.15 -1.32 0.00 0.00 176.35 177.16 2if7 n MET 7 N 5.49 2.09 -4.35 1.98 0.00 -1.26 -3.14 117.12 117.92 2if7 n MET 7 Ca -0.11 0.75 -0.20 0.00 0.00 0.00 0.00 57.70 58.14 2if7 n MET 7 Cb 0.43 -2.51 -0.16 0.00 0.00 0.00 0.00 33.22 30.99 2if7 n MET 7 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 2if7 s VAL 8 N 0.84 0.75 -0.39 3.17 1.01 -0.64 -4.94 120.40 120.20 2if7 s VAL 8 Ca 0.79 -0.31 -0.13 0.00 0.00 0.00 0.00 61.98 62.33 2if7 s VAL 8 Cb -0.69 -0.69 0.03 0.00 0.00 0.00 0.00 36.38 35.03 2if7 s VAL 8 CO 0.39 0.25 0.25 0.20 0.00 0.00 0.00 175.10 176.19 2if7 s ASN 9 N 0.39 5.89 -0.01 3.32 0.02 -1.26 -1.17 114.94 122.12 2if7 s ASN 9 Ca -0.06 -0.99 -0.09 0.00 -1.02 0.00 0.00 52.86 50.70 2if7 s ASN 9 Cb -0.10 -2.08 -0.05 0.00 0.02 0.00 0.00 41.25 39.04 2if7 s ASN 9 CO 0.01 -0.43 0.29 -0.83 0.02 0.00 0.00 177.10 176.17 2if7 s GLY 10 N 1.65 2.30 -0.14 0.66 0.00 -0.52 -4.99 107.32 106.29 2if7 s GLY 10 Ca 0.03 -0.47 -0.18 0.00 0.00 0.00 0.00 44.72 44.09 2if7 s GLY 10 CO 0.08 -0.23 0.48 -0.42 0.00 0.00 0.00 173.10 173.02 2if7 s ILE 11 N -1.20 5.17 0.00 0.90 1.01 -1.26 -0.28 121.20 125.54 2if7 s ILE 11 Ca 0.25 0.95 -0.39 0.00 0.00 0.00 0.00 60.65 61.45 2if7 s ILE 11 Cb -0.14 -3.82 -0.19 0.00 0.01 0.00 0.00 42.46 38.32 2if7 s ILE 11 CO 0.13 0.29 1.18 -0.11 0.00 0.00 0.00 174.94 176.43 2if7 n LEU 12 N 3.94 0.57 0.00 2.97 0.00 0.43 -0.95 117.00 123.95 2if7 n LEU 12 Ca -0.07 1.15 0.00 0.00 0.00 0.00 0.00 56.01 57.09 2if7 n LEU 12 Cb 0.51 -1.00 0.00 0.00 0.00 0.00 0.00 43.42 42.93 2if7 n LEU 12 CO 0.43 -1.59 0.00 0.61 0.00 0.00 0.00 177.39 176.84 2if7 n GLY 13 N 1.95 2.83 0.00 -3.96 0.00 0.09 -4.87 105.19 101.23 2if7 n GLY 13 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.00 1.24 -3.94 1.61 1.02 -0.13 -4.17 120.64 114.27 2if7 n GLU 14 Ca 0.00 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.89 2if7 n GLU 14 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 2if7 n GLU 14 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2if7 n SER 15 N -2.63 2.92 -3.64 1.62 3.41 -1.26 -0.23 113.62 113.81 2if7 n SER 15 Ca 0.00 -2.75 -0.05 0.00 -0.26 0.00 0.00 58.87 55.81 2if7 n SER 15 Cb 0.00 0.18 -0.07 0.00 -0.26 0.00 0.00 64.21 64.06 2if7 n SER 15 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2if7 s VAL 16 N -2.43 0.00 0.39 -3.33 -7.23 -0.24 -4.67 120.40 102.89 2if7 s VAL 16 Ca 0.09 0.00 0.08 0.00 -1.81 0.00 0.00 61.98 60.34 2if7 s VAL 16 Cb -0.01 -1.00 -0.00 0.00 0.56 0.00 0.00 36.38 35.93 2if7 s VAL 16 CO 0.06 0.00 0.50 0.42 -0.31 0.00 0.00 175.10 175.77 2if7 s THR 17 N 0.86 3.24 -0.16 5.32 -4.23 -1.26 -0.85 115.64 118.55 2if7 s THR 17 Ca -0.04 -1.08 -0.02 0.00 -1.18 0.00 0.00 61.69 59.38 2if7 s THR 17 Cb -0.04 -3.11 0.05 0.00 1.34 0.00 0.00 72.50 70.74 2if7 s THR 17 CO -0.12 -0.05 0.01 -0.76 -0.54 0.00 0.00 174.62 173.16 2if7 s LEU 18 N -4.25 1.18 0.33 4.79 1.43 0.30 -4.94 118.68 117.52 2if7 s LEU 18 Ca 0.51 -0.62 -0.26 0.00 -1.03 0.00 0.00 54.13 52.73 2if7 s LEU 18 Cb -0.09 -0.65 -0.10 0.00 0.03 0.00 0.00 46.19 45.39 2if7 s LEU 18 CO 0.31 -0.25 0.94 -2.16 0.23 0.00 0.00 176.35 175.43 2if7 s PRO 19 N 1.82 4.57 0.20 1.29 0.04 -1.26 -2.01 135.00 139.65 2if7 s PRO 19 Ca 0.01 1.32 0.03 0.00 0.04 0.00 0.00 61.00 62.39 2if7 s PRO 19 Cb -0.16 -2.78 -0.03 0.00 0.04 0.00 0.00 34.50 31.57 2if7 s PRO 19 CO -0.07 0.27 0.34 -0.51 0.04 0.00 0.00 177.00 177.07 2if7 s LEU 20 N -2.09 4.30 -0.18 -3.56 1.43 -1.26 -4.99 118.68 112.33 2if7 s LEU 20 Ca 0.50 0.17 -0.00 0.00 -1.03 0.00 0.00 54.13 53.77 2if7 s LEU 20 Cb -0.18 -2.94 0.04 0.00 0.03 0.00 0.00 46.19 43.14 2if7 s LEU 20 CO 0.23 -0.03 -0.05 -1.61 0.23 0.00 0.00 176.35 175.12 2if7 s GLU 21 N -3.62 1.49 0.29 1.70 0.41 -1.26 -5.03 118.70 112.67 2if7 s GLU 21 Ca 0.35 -0.61 -0.19 0.00 -0.41 0.00 0.00 54.97 54.11 2if7 s GLU 21 Cb -0.10 -2.13 0.07 0.00 -1.78 0.00 0.00 34.13 30.18 2if7 s GLU 21 CO 0.29 -0.46 0.91 -0.59 -0.49 0.00 0.00 175.26 174.92 2if7 s PHE 22 N 1.59 0.09 -0.12 1.61 -0.71 -1.26 -4.94 117.98 114.24 2if7 s PHE 22 Ca -0.00 -0.64 0.17 0.00 -1.04 0.00 0.00 56.93 55.42 2if7 s PHE 22 Cb -0.16 0.77 -0.18 0.00 -1.21 0.00 0.00 43.02 42.24 2if7 s PHE 22 CO -0.08 -1.26 0.66 -0.35 -1.34 0.00 0.00 175.22 172.86 2if7 n PRO 23 N -0.61 0.64 -0.69 1.99 -0.04 -1.26 -5.02 135.00 130.00 2if7 n PRO 23 Ca -0.06 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2if7 n PRO 23 Cb 0.60 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 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 -2.46 0.00 0.00 0.55 0.00 -1.26 -3.59 120.51 113.75 2if7 n ALA 24 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2if7 n ALA 24 Cb 0.90 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 19.21 2if7 n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2if7 n GLY 25 N -0.98 -0.02 3.67 0.00 0.00 -1.26 -5.15 105.19 101.45 2if7 n GLY 25 Ca 0.00 0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 2if7 n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2if7 s GLU 26 N 0.00 -0.28 -0.01 1.61 0.41 -1.24 -5.08 118.70 114.12 2if7 s GLU 26 Ca 0.00 0.11 0.08 0.00 -0.41 0.00 0.00 54.97 54.75 2if7 s GLU 26 Cb 0.00 -1.69 -0.02 0.00 -1.78 0.00 0.00 34.13 30.64 2if7 s GLU 26 CO 0.00 -3.12 -0.24 0.15 -0.49 0.00 0.00 175.26 171.56 2if7 s LYS 27 N -5.31 1.92 -0.08 1.61 -0.14 -1.26 -4.73 119.74 111.75 2if7 s LYS 27 Ca 0.69 -0.88 -0.15 0.00 -1.36 0.00 0.00 55.97 54.27 2if7 s LYS 27 Cb -0.12 -1.88 -0.05 0.00 -1.68 0.00 0.00 37.83 34.10 2if7 s LYS 27 CO 0.56 0.51 0.37 0.14 -0.76 0.00 0.00 175.35 176.17 2if7 s VAL 28 N -0.59 5.18 -0.08 3.17 -7.23 -1.26 -4.17 120.40 115.41 2if7 s VAL 28 Ca 0.09 0.74 -0.09 0.00 -1.81 0.00 0.00 61.98 60.92 2if7 s VAL 28 Cb -0.09 -3.69 -0.28 0.00 0.56 0.00 0.00 36.38 32.87 2if7 s VAL 28 CO -0.01 0.47 0.52 0.78 -0.31 0.00 0.00 175.10 176.55 2if7 h ASN 29 N 5.77 0.51 -5.21 4.85 2.35 -1.26 -3.47 115.58 119.12 2if7 h ASN 29 Ca -0.46 -0.93 -0.05 0.00 -0.55 0.00 0.00 56.30 54.31 2if7 h ASN 29 Cb 1.19 -0.17 -0.09 0.00 0.05 0.00 0.00 38.32 39.31 2if7 h ASN 29 CO 0.69 1.81 -0.09 0.72 -1.65 0.00 0.00 177.43 178.91 2if7 s PHE 30 N -2.57 0.28 -0.01 1.19 -0.12 -1.24 -4.23 117.98 111.27 2if7 s PHE 30 Ca -0.19 -0.64 0.03 0.00 -0.05 0.00 0.00 56.93 56.08 2if7 s PHE 30 Cb 0.06 0.23 -0.01 0.00 -0.63 0.00 0.00 43.02 42.68 2if7 s PHE 30 CO 0.81 -0.99 -0.10 0.42 -0.05 0.00 0.00 175.22 175.31 2if7 s ILE 31 N -3.99 0.83 -0.13 -4.49 1.01 -0.46 -1.24 121.20 112.73 2if7 s ILE 31 Ca 0.20 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.43 2if7 s ILE 31 Cb -0.01 -0.71 0.02 0.00 0.01 0.00 0.00 42.46 41.77 2if7 s ILE 31 CO 0.07 0.24 -0.15 -0.89 0.00 0.00 0.00 174.94 174.21 2if7 s THR 32 N -0.13 1.57 -0.24 2.92 2.01 -0.17 -0.23 115.64 121.37 2if7 s THR 32 Ca 0.02 -0.66 -0.18 0.00 0.31 0.00 0.00 61.69 61.19 2if7 s THR 32 Cb -0.05 -1.46 -0.03 0.00 0.01 0.00 0.00 72.50 70.97 2if7 s THR 32 CO -0.00 0.46 0.49 0.26 -0.69 0.00 0.00 174.62 175.14 2if7 s TRP 33 N 1.25 3.29 0.06 4.92 0.52 -0.41 -0.64 118.94 127.93 2if7 s TRP 33 Ca -0.00 0.64 0.04 0.00 0.02 0.00 0.00 56.10 56.80 2if7 s TRP 33 Cb -0.14 -2.68 -0.04 0.00 -1.15 0.00 0.00 33.47 29.46 2if7 s TRP 33 CO -0.07 -0.22 -0.01 -0.51 0.02 0.00 0.00 176.95 176.17 2if7 s LEU 34 N 2.08 3.45 -0.15 2.99 1.43 0.58 0.94 118.68 130.01 2if7 s LEU 34 Ca 0.21 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.17 2if7 s LEU 34 Cb -0.16 -2.12 0.04 0.00 0.03 0.00 0.00 46.19 43.99 2if7 s LEU 34 CO 0.09 0.21 -0.01 0.12 0.23 0.00 0.00 176.35 176.99 2if7 s PHE 35 N -1.23 1.18 0.00 0.29 5.36 -0.17 -1.80 117.98 121.62 2if7 s PHE 35 Ca 0.23 -0.73 0.00 0.00 -0.96 0.00 0.00 56.93 55.47 2if7 s PHE 35 Cb -0.12 -1.07 0.00 0.00 -0.34 0.00 0.00 43.02 41.49 2if7 s PHE 35 CO 0.15 -0.53 0.00 0.09 -1.46 0.00 0.00 175.22 173.47 2if7 n ASN 36 N 5.01 0.00 0.01 6.13 3.02 -0.50 -0.40 115.26 128.53 2if7 n ASN 36 Ca -0.10 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.59 2if7 n ASN 36 Cb 0.48 0.00 0.56 0.00 -0.61 0.00 0.00 39.78 40.21 2if7 n ASN 36 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2if7 n GLU 37 N 6.34 0.02 -4.58 3.52 4.71 -1.26 -4.93 120.64 124.46 2if7 n GLU 37 Ca 0.00 0.02 -0.27 0.00 -0.01 0.00 0.00 57.16 56.90 2if7 n GLU 37 Cb 0.00 -1.52 -0.10 0.00 -1.01 0.00 0.00 31.44 28.81 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 -3.01 1.35 0.02 2.62 -4.23 0.47 -5.14 115.64 107.71 2if7 s THR 38 Ca 0.13 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.61 2if7 s THR 38 Cb 0.18 -2.66 -0.04 0.00 1.34 0.00 0.00 72.50 71.32 2if7 s THR 38 CO 0.56 0.00 0.22 -0.55 -0.54 0.00 0.00 174.62 174.31 2if7 s SER 39 N -3.66 6.41 -0.21 3.99 0.15 -1.26 -0.99 113.70 118.12 2if7 s SER 39 Ca 0.28 0.41 -0.08 0.00 0.70 0.00 0.00 55.95 57.25 2if7 s SER 39 Cb 0.07 -2.02 -0.10 0.00 -1.71 0.00 0.00 66.02 62.25 2if7 s SER 39 CO 0.13 0.23 -0.26 0.18 1.20 0.00 0.00 173.24 174.73 2if7 n LEU 40 N 0.81 1.89 -3.68 3.45 4.77 0.27 -4.06 117.00 120.44 2if7 n LEU 40 Ca -0.09 0.17 -0.14 0.00 -0.03 0.00 0.00 56.01 55.92 2if7 n LEU 40 Cb 0.52 -0.66 -0.09 0.00 -2.33 0.00 0.00 43.42 40.87 2if7 n LEU 40 CO 0.45 0.55 0.22 0.00 -1.33 0.00 0.00 177.39 177.28 2if7 s ALA 41 N -2.40 -1.31 -0.16 -1.18 0.00 -1.05 0.16 121.76 115.81 2if7 s ALA 41 Ca -0.30 1.41 -0.06 0.00 0.00 0.00 0.00 51.96 53.01 2if7 s ALA 41 Cb 0.11 -0.74 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 2if7 s ALA 41 CO 0.40 -0.26 0.05 0.12 0.00 0.00 0.00 175.76 176.07 2if7 s PHE 42 N 0.05 3.24 -0.12 0.00 5.36 0.69 -1.28 117.98 125.91 2if7 s PHE 42 Ca -0.02 0.08 0.02 0.00 -0.96 0.00 0.00 56.93 56.05 2if7 s PHE 42 Cb -0.04 -2.02 0.01 0.00 -0.34 0.00 0.00 43.02 40.64 2if7 s PHE 42 CO 0.02 0.21 -0.17 0.42 -1.46 0.00 0.00 175.22 174.24 2if7 s ILE 43 N 0.12 1.68 -0.54 3.12 1.01 0.68 -0.58 121.20 126.68 2if7 s ILE 43 Ca 0.04 -0.75 -0.05 0.00 0.00 0.00 0.00 60.65 59.89 2if7 s ILE 43 Cb -0.12 -1.52 0.14 0.00 0.01 0.00 0.00 42.46 40.97 2if7 s ILE 43 CO 0.01 0.48 0.38 -0.69 0.00 0.00 0.00 174.94 175.11 2if7 s VAL 44 N 0.97 3.89 0.45 2.92 1.01 0.32 -1.35 120.40 128.60 2if7 s VAL 44 Ca -0.06 -2.35 -0.23 0.00 0.00 0.00 0.00 61.98 59.34 2if7 s VAL 44 Cb -0.15 -3.56 -0.08 0.00 0.00 0.00 0.00 36.38 32.59 2if7 s VAL 44 CO -0.02 -0.81 1.14 -2.84 0.00 0.00 0.00 175.10 172.56 2if7 s PRO 45 N 0.68 3.85 -0.27 2.72 0.02 -1.26 -1.64 135.00 139.10 2if7 s PRO 45 Ca 0.12 1.71 0.02 0.00 0.02 0.00 0.00 61.00 62.86 2if7 s PRO 45 Cb -0.22 -2.44 0.07 0.00 0.02 0.00 0.00 34.50 31.94 2if7 s PRO 45 CO -0.03 -0.45 -0.02 -1.01 -0.33 0.00 0.00 177.00 175.15 2if7 s HIS 46 N -1.58 2.75 0.24 6.54 3.76 -1.26 -4.94 115.29 120.81 2if7 s HIS 46 Ca 0.62 -2.12 -0.06 0.00 -0.15 0.00 0.00 55.06 53.36 2if7 s HIS 46 Cb -0.27 -1.94 0.29 0.00 1.11 0.00 0.00 32.58 31.77 2if7 s HIS 46 CO 0.33 -0.84 1.88 0.93 -0.85 0.00 0.00 174.74 176.19 2if7 h GLU 47 N 7.87 1.07 0.00 1.40 4.39 -1.96 -2.23 114.58 125.12 2if7 h GLU 47 Ca -0.15 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.49 2if7 h GLU 47 Cb 1.05 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 2if7 h GLU 47 CO 0.45 0.71 0.00 1.79 -1.16 0.00 0.00 179.01 180.80 2if7 h THR 48 N 1.10 0.00 0.00 1.13 1.35 -2.04 -3.47 112.91 110.99 2if7 h THR 48 Ca 0.36 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 2if7 h THR 48 Cb 0.03 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 2if7 h THR 48 CO -0.13 0.00 0.00 1.17 -0.25 0.00 0.00 175.52 176.31 2if7 n LYS 49 N -2.48 0.00 -3.93 4.72 4.81 -0.84 -5.18 118.16 115.26 2if7 n LYS 49 Ca 0.04 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.27 2if7 n LYS 49 Cb 0.41 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.42 2if7 n LYS 49 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2if7 s SER 50 N 1.23 5.28 0.46 3.14 1.04 -1.26 -4.57 113.70 119.02 2if7 s SER 50 Ca 0.00 -0.45 -0.12 0.00 0.48 0.00 0.00 55.95 55.86 2if7 s SER 50 Cb 0.00 -1.07 -0.06 0.00 0.10 0.00 0.00 66.02 64.99 2if7 s SER 50 CO 0.00 -0.25 0.86 -2.16 0.98 0.00 0.00 173.24 172.67 2if7 s PRO 51 N -3.93 3.80 -0.36 4.02 0.05 -1.26 -4.07 135.00 133.25 2if7 s PRO 51 Ca 0.38 0.62 -0.09 0.00 0.05 0.00 0.00 61.00 61.96 2if7 s PRO 51 Cb -0.06 -2.29 0.03 0.00 0.05 0.00 0.00 34.50 32.23 2if7 s PRO 51 CO 0.26 -0.16 0.17 -2.00 0.05 0.00 0.00 177.00 175.32 2if7 s GLU 52 N -4.07 2.78 -0.49 4.56 2.12 -0.65 -4.96 118.70 117.99 2if7 s GLU 52 Ca 0.54 -1.09 -0.06 0.00 0.36 0.00 0.00 54.97 54.72 2if7 s GLU 52 Cb -0.10 -3.63 0.13 0.00 0.26 0.00 0.00 34.13 30.79 2if7 s GLU 52 CO 0.34 -0.67 0.32 0.42 -0.54 0.00 0.00 175.26 175.13 2if7 s ILE 53 N 1.50 3.79 -0.52 -3.70 1.01 -1.26 -0.52 121.20 121.50 2if7 s ILE 53 Ca 0.01 -2.14 -0.21 0.00 0.00 0.00 0.00 60.65 58.31 2if7 s ILE 53 Cb -0.19 -3.52 0.05 0.00 0.01 0.00 0.00 42.46 38.81 2if7 s ILE 53 CO 0.05 -0.77 0.75 -1.00 0.00 0.00 0.00 174.94 173.98 2if7 s HIS 54 N 0.97 2.95 -0.04 3.97 3.76 0.25 -4.95 115.29 122.19 2if7 s HIS 54 Ca 0.09 -0.29 -0.30 0.00 -0.15 0.00 0.00 55.06 54.41 2if7 s HIS 54 Cb -0.23 -3.73 -0.03 0.00 1.11 0.00 0.00 32.58 29.70 2if7 s HIS 54 CO -0.03 -1.14 1.06 0.54 -0.85 0.00 0.00 174.74 174.31 2if7 s VAL 55 N 3.17 4.63 -2.20 -0.90 0.11 -1.26 -0.23 120.40 123.71 2if7 s VAL 55 Ca 0.22 1.90 0.19 0.00 -2.93 0.00 0.00 61.98 61.35 2if7 s VAL 55 Cb -0.16 -4.22 0.11 0.00 -1.53 0.00 0.00 36.38 30.59 2if7 s VAL 55 CO 0.15 0.07 1.06 0.35 -3.33 0.00 0.00 175.10 173.40 2if7 n THR 56 N 4.27 0.00 -3.51 5.04 -2.24 0.12 -4.76 114.28 113.21 2if7 n THR 56 Ca 0.08 -0.46 -0.29 0.00 -2.27 0.00 0.00 64.05 61.12 2if7 n THR 56 Cb 0.49 1.35 -0.13 0.00 -2.10 0.00 0.00 70.33 69.94 2if7 n THR 56 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2if7 s ASN 57 N -1.69 3.24 0.00 3.42 3.84 -1.11 -4.88 114.94 117.77 2if7 s ASN 57 Ca 0.20 -1.86 0.13 0.00 0.21 0.00 0.00 52.86 51.54 2if7 s ASN 57 Cb 0.15 -0.42 0.57 0.00 -0.55 0.00 0.00 41.25 41.00 2if7 s ASN 57 CO 0.29 -0.36 1.37 -0.81 -2.79 0.00 0.00 177.10 174.80 2if7 n PRO 58 N 4.49 0.06 -0.11 0.43 -0.04 -1.26 -3.25 135.00 135.31 2if7 n PRO 58 Ca 0.05 0.24 -0.07 0.00 -0.04 0.00 0.00 63.50 63.69 2if7 n PRO 58 Cb 0.39 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.35 2if7 n PRO 58 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2if7 h LYS 59 N 0.00 -0.19 -6.00 0.54 1.63 -2.00 -3.21 116.57 107.34 2if7 h LYS 59 Ca 0.00 0.01 -0.51 0.00 -0.85 0.00 0.00 60.65 59.30 2if7 h LYS 59 Cb 0.18 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.83 2if7 h LYS 59 CO 0.00 -0.13 1.37 -0.65 -3.45 0.00 0.00 179.45 176.59 2if7 s GLN 60 N -6.07 2.71 0.00 1.90 1.11 -1.20 -4.95 119.66 113.16 2if7 s GLN 60 Ca -0.15 0.83 0.00 0.00 0.01 0.00 0.00 55.36 56.06 2if7 s GLN 60 Cb 0.14 -4.37 0.00 0.00 -1.01 0.00 0.00 33.01 27.77 2if7 s GLN 60 CO 0.69 -2.62 0.00 0.41 0.01 0.00 0.00 175.29 173.78 2if7 n GLY 61 N 5.67 -0.60 0.00 3.09 0.00 -1.22 -4.39 105.19 107.75 2if7 n GLY 61 Ca 0.22 -0.20 0.03 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 0.10 0.00 1.61 4.76 -1.26 -3.07 118.16 120.31 2if7 n LYS 62 Ca 0.00 0.20 -0.06 0.00 -2.87 0.00 0.00 58.31 55.58 2if7 n LYS 62 Cb 0.00 -1.50 0.13 0.00 -1.84 0.00 0.00 35.03 31.82 2if7 n LYS 62 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2if7 h ARG 63 N 0.00 0.52 -6.79 1.97 3.08 -1.89 -3.44 114.38 107.83 2if7 h ARG 63 Ca 0.00 -0.26 -0.48 0.00 0.07 0.00 0.00 59.98 59.31 2if7 h ARG 63 Cb 0.05 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2if7 h ARG 63 CO 0.00 0.83 0.22 -1.17 -1.07 0.00 0.00 179.97 178.78 2if7 s LEU 64 N -8.51 4.22 0.20 3.04 2.96 -1.17 -1.28 118.68 118.14 2if7 s LEU 64 Ca -0.07 1.58 -0.23 0.00 -0.22 0.00 0.00 54.13 55.19 2if7 s LEU 64 Cb 0.13 -3.99 0.05 0.00 0.50 0.00 0.00 46.19 42.88 2if7 s LEU 64 CO 0.81 -0.11 0.73 0.20 -1.32 0.00 0.00 176.35 176.66 2if7 s ASN 65 N -1.85 -0.36 -0.02 3.68 0.02 -0.49 -5.00 114.94 110.93 2if7 s ASN 65 Ca 0.51 -0.34 -0.00 0.00 -1.02 0.00 0.00 52.86 52.01 2if7 s ASN 65 Cb -0.15 0.63 0.03 0.00 0.02 0.00 0.00 41.25 41.78 2if7 s ASN 65 CO 0.20 -1.11 0.03 -0.36 0.02 0.00 0.00 177.10 175.89 2if7 s PHE 66 N -3.71 0.03 1.14 2.20 0.08 -1.26 -0.29 117.98 116.16 2if7 s PHE 66 Ca 0.07 0.15 -0.15 0.00 0.12 0.00 0.00 56.93 57.12 2if7 s PHE 66 Cb -0.03 -0.25 0.26 0.00 -0.57 0.00 0.00 43.02 42.42 2if7 s PHE 66 CO -0.01 -0.10 1.07 0.95 -0.10 0.00 0.00 175.22 177.03 2if7 s THR 67 N 1.15 1.81 0.64 0.64 -4.23 0.05 -4.82 115.64 110.88 2if7 s THR 67 Ca -0.08 0.00 0.39 0.00 -1.18 0.00 0.00 61.69 60.82 2if7 s THR 67 Cb -0.13 -2.37 0.41 0.00 1.34 0.00 0.00 72.50 71.75 2if7 s THR 67 CO -0.03 0.00 2.32 -0.61 -0.54 0.00 0.00 174.62 175.76 2if7 h GLN 68 N -2.40 0.00 -0.64 3.99 5.75 -2.01 -0.84 115.11 118.95 2if7 h GLN 68 Ca -0.53 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 57.97 2if7 h GLN 68 Cb 1.33 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.88 2if7 h GLN 68 CO 0.47 0.00 0.00 0.45 -2.65 0.00 0.00 178.83 177.10 2if7 n SER 69 N -3.36 4.86 -1.78 -0.69 2.88 -1.26 -4.91 113.62 109.35 2if7 n SER 69 Ca -0.03 -2.55 -0.21 0.00 -1.33 0.00 0.00 58.87 54.75 2if7 n SER 69 Cb 0.09 -0.60 -0.07 0.00 -0.75 0.00 0.00 64.21 62.88 2if7 n SER 69 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2if7 n TYR 70 N 0.96 -0.23 -2.60 0.66 4.01 -0.32 -4.65 117.16 114.98 2if7 n TYR 70 Ca 0.25 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.58 2if7 n TYR 70 Cb 0.94 -3.59 -0.04 0.00 -0.31 0.00 0.00 39.34 36.34 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 -2.61 7.37 0.05 7.72 0.01 -1.26 -4.79 113.70 120.18 2if7 s SER 71 Ca 0.00 1.98 -0.30 0.00 1.31 0.00 0.00 55.95 58.94 2if7 s SER 71 Cb 0.00 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 2if7 s SER 71 CO 0.00 -0.15 1.00 -0.22 0.41 0.00 0.00 173.24 174.28 2if7 s LEU 72 N -0.25 4.42 -0.10 2.44 0.20 -0.85 -0.77 118.68 123.76 2if7 s LEU 72 Ca 0.48 1.75 0.01 0.00 0.69 0.00 0.00 54.13 57.06 2if7 s LEU 72 Cb -0.27 -3.58 0.02 0.00 -0.43 0.00 0.00 46.19 41.93 2if7 s LEU 72 CO 0.33 -0.22 -0.10 0.00 -0.29 0.00 0.00 176.35 176.07 2if7 s GLN 73 N 0.64 1.69 -0.20 1.98 -2.07 0.60 0.11 119.66 122.41 2if7 s GLN 73 Ca 0.51 -0.35 -0.11 0.00 -1.82 0.00 0.00 55.36 53.59 2if7 s GLN 73 Cb -0.23 -1.59 -0.05 0.00 -1.09 0.00 0.00 33.01 30.05 2if7 s GLN 73 CO 0.29 -0.16 0.16 -0.51 -1.32 0.00 0.00 175.29 173.75 2if7 s LEU 74 N 1.30 4.20 0.45 2.60 1.43 -0.03 -1.40 118.68 127.24 2if7 s LEU 74 Ca -0.02 0.26 0.07 0.00 -1.03 0.00 0.00 54.13 53.41 2if7 s LEU 74 Cb -0.14 -2.14 -0.00 0.00 0.03 0.00 0.00 46.19 43.94 2if7 s LEU 74 CO -0.04 0.15 0.40 -0.94 0.23 0.00 0.00 176.35 176.15 2if7 s SER 75 N 0.45 4.95 -0.60 2.29 1.04 -0.40 -1.08 113.70 120.35 2if7 s SER 75 Ca 0.09 -0.86 -0.06 0.00 0.48 0.00 0.00 55.95 55.61 2if7 s SER 75 Cb -0.12 -0.32 0.01 0.00 0.10 0.00 0.00 66.02 65.69 2if7 s SER 75 CO -0.00 -0.78 0.40 0.59 0.98 0.00 0.00 173.24 174.42 2if7 n ASN 76 N -1.62 -2.97 -4.76 7.02 3.02 -1.09 -4.80 115.26 110.05 2if7 n ASN 76 Ca 0.03 -0.69 -0.37 0.00 -0.03 0.00 0.00 54.58 53.52 2if7 n ASN 76 Cb 0.62 -1.02 0.01 0.00 -0.61 0.00 0.00 39.78 38.78 2if7 n ASN 76 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2if7 s LEU 77 N -4.59 3.95 0.31 3.41 1.43 0.68 -4.69 118.68 119.18 2if7 s LEU 77 Ca 0.08 2.46 0.09 0.00 -1.03 0.00 0.00 54.13 55.73 2if7 s LEU 77 Cb -0.04 -4.25 -0.06 0.00 0.03 0.00 0.00 46.19 41.86 2if7 s LEU 77 CO 0.59 -1.15 -0.09 -0.54 0.23 0.00 0.00 176.35 175.39 2if7 s LYS 78 N -2.77 1.68 0.38 1.70 1.02 -1.26 -0.73 119.74 119.76 2if7 s LYS 78 Ca 0.66 -1.85 0.08 0.00 0.02 0.00 0.00 55.97 54.89 2if7 s LYS 78 Cb -0.33 -1.47 0.83 0.00 -0.52 0.00 0.00 37.83 36.34 2if7 s LYS 78 CO 0.39 0.12 1.95 0.52 -0.92 0.00 0.00 175.35 177.42 2if7 h MET 79 N 2.17 0.64 0.00 1.68 2.86 -1.96 -1.23 114.93 119.09 2if7 h MET 79 Ca -0.41 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 2if7 h MET 79 Cb 1.24 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.76 2if7 h MET 79 CO 0.68 0.42 0.00 -0.85 1.06 0.00 0.00 176.91 178.22 2if7 n GLU 80 N -4.49 0.11 0.21 1.72 0.28 -1.26 -1.64 120.64 115.57 2if7 n GLU 80 Ca 0.11 0.54 0.11 0.00 -0.16 0.00 0.00 57.16 57.76 2if7 n GLU 80 Cb 0.29 -1.81 0.16 0.00 1.43 0.00 0.00 31.44 31.52 2if7 n GLU 80 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2if7 h ASP 81 N 0.00 0.00 -2.35 -1.84 3.32 -1.63 -3.46 116.42 110.47 2if7 h ASP 81 Ca 0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 2if7 h ASP 81 Cb 0.08 0.00 0.12 0.00 0.22 0.00 0.00 39.33 39.75 2if7 h ASP 81 CO 0.00 0.06 -0.06 0.41 -1.72 0.00 0.00 179.24 177.93 2if7 n THR 82 N -3.11 2.02 0.00 0.35 -1.04 -0.65 -4.82 114.28 107.02 2if7 n THR 82 Ca 0.04 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.55 2if7 n THR 82 Cb 0.55 -0.80 0.00 0.00 -1.82 0.00 0.00 70.33 68.26 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 1.42 0.83 3.76 3.41 0.00 -0.46 -5.00 105.19 109.16 2if7 n GLY 83 Ca 0.11 -2.00 -0.37 0.00 0.00 0.00 0.00 46.02 43.76 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 -4.00 6.55 -0.06 1.61 0.15 -1.26 -1.18 113.70 115.51 2if7 s SER 84 Ca 0.00 0.65 0.05 0.00 0.70 0.00 0.00 55.95 57.36 2if7 s SER 84 Cb 0.00 -2.20 -0.01 0.00 -1.71 0.00 0.00 66.02 62.09 2if7 s SER 84 CO 0.00 0.16 -0.23 -0.31 1.20 0.00 0.00 173.24 174.06 2if7 s TYR 85 N 0.03 2.49 -0.01 3.44 1.51 -0.35 -1.42 117.35 123.05 2if7 s TYR 85 Ca 0.19 -0.65 0.04 0.00 -1.01 0.00 0.00 57.07 55.64 2if7 s TYR 85 Cb -0.14 -1.62 -0.01 0.00 -0.11 0.00 0.00 41.96 40.08 2if7 s TYR 85 CO 0.07 -0.17 -0.11 1.03 -1.11 0.00 0.00 175.55 175.25 2if7 s ARG 86 N -0.19 0.92 -0.24 -0.62 0.52 -0.74 0.16 118.95 118.75 2if7 s ARG 86 Ca -0.02 -0.42 -0.07 0.00 -0.52 0.00 0.00 55.73 54.70 2if7 s ARG 86 Cb -0.13 -0.89 -0.03 0.00 0.52 0.00 0.00 34.95 34.41 2if7 s ARG 86 CO 0.03 0.24 0.07 0.00 0.02 0.00 0.00 175.30 175.67 2if7 s ALA 87 N -0.29 3.20 -0.39 2.13 0.00 -0.22 -0.31 121.76 125.89 2if7 s ALA 87 Ca 0.04 -1.07 -0.13 0.00 0.00 0.00 0.00 51.96 50.80 2if7 s ALA 87 Cb -0.04 -2.05 0.02 0.00 0.00 0.00 0.00 23.12 21.04 2if7 s ALA 87 CO -0.00 -0.38 0.25 -1.14 0.00 0.00 0.00 175.76 174.49 2if7 s GLN 88 N 1.42 2.97 -0.45 0.00 0.74 0.18 -1.52 119.66 123.00 2if7 s GLN 88 Ca 0.05 -1.00 -0.14 0.00 0.05 0.00 0.00 55.36 54.32 2if7 s GLN 88 Cb -0.15 -3.85 0.06 0.00 1.10 0.00 0.00 33.01 30.17 2if7 s GLN 88 CO 0.04 -0.69 0.35 0.96 -0.55 0.00 0.00 175.29 175.39 2if7 s ILE 89 N 1.63 5.08 -0.58 -2.34 -4.36 -0.83 -1.00 121.20 118.79 2if7 s ILE 89 Ca 0.04 -1.01 -0.26 0.00 -0.26 0.00 0.00 60.65 59.16 2if7 s ILE 89 Cb -0.19 -3.99 0.04 0.00 1.25 0.00 0.00 42.46 39.57 2if7 s ILE 89 CO 0.08 -0.49 1.05 -0.44 0.24 0.00 0.00 174.94 175.38 2if7 s SER 90 N 2.29 6.35 0.83 4.36 0.01 -0.37 -3.36 113.70 123.80 2if7 s SER 90 Ca 0.04 -0.26 -0.05 0.00 1.31 0.00 0.00 55.95 56.99 2if7 s SER 90 Cb -0.23 -2.48 0.17 0.00 0.21 0.00 0.00 66.02 63.69 2if7 s SER 90 CO 0.07 -1.37 1.13 0.42 0.41 0.00 0.00 173.24 173.89 2if7 s THR 91 N 4.42 2.01 0.32 1.44 -4.23 -0.13 -0.74 115.64 118.73 2if7 s THR 91 Ca 0.34 -0.43 0.04 0.00 -1.18 0.00 0.00 61.69 60.46 2if7 s THR 91 Cb -0.11 -2.58 0.13 0.00 1.34 0.00 0.00 72.50 71.28 2if7 s THR 91 CO 0.20 0.00 1.83 0.07 -0.54 0.00 0.00 174.62 176.18 2if7 h LYS 92 N -0.97 0.52 -0.00 3.99 2.10 -1.96 -3.31 116.57 116.93 2if7 h LYS 92 Ca -0.37 -0.13 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 2if7 h LYS 92 Cb 1.25 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 2if7 h LYS 92 CO 0.35 0.60 -0.47 0.25 -2.00 0.00 0.00 179.45 178.18 2if7 n THR 93 N -4.24 0.00 -3.93 0.07 -2.24 -1.26 -5.05 114.28 97.64 2if7 n THR 93 Ca 0.01 -0.26 -0.01 0.00 -2.27 0.00 0.00 64.05 61.51 2if7 n THR 93 Cb 0.29 1.04 0.02 0.00 -2.10 0.00 0.00 70.33 69.58 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 -0.97 -1.59 -3.36 3.42 3.41 -1.25 -5.11 113.62 108.17 2if7 n SER 94 Ca 0.03 -1.74 -0.26 0.00 -0.26 0.00 0.00 58.87 56.64 2if7 n SER 94 Cb 0.21 2.56 -0.09 0.00 -0.26 0.00 0.00 64.21 66.62 2if7 n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2if7 n ALA 95 N -0.82 2.78 -1.78 7.33 0.00 -1.26 -0.95 120.51 125.80 2if7 n ALA 95 Ca -0.13 -3.23 -0.36 0.00 0.00 0.00 0.00 53.44 49.72 2if7 n ALA 95 Cb 0.58 -0.77 -0.02 0.00 0.00 0.00 0.00 19.45 19.23 2if7 n ALA 95 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2if7 s LYS 96 N -0.31 3.83 -0.10 0.00 1.02 -1.21 -4.72 119.74 118.25 2if7 s LYS 96 Ca 0.33 1.57 0.00 0.00 0.02 0.00 0.00 55.97 57.90 2if7 s LYS 96 Cb 0.07 -2.32 -0.02 0.00 -0.52 0.00 0.00 37.83 35.04 2if7 s LYS 96 CO -0.18 -0.44 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.19 2if7 s LEU 97 N -3.13 2.85 -0.36 3.17 1.43 -1.26 -1.96 118.68 119.43 2if7 s LEU 97 Ca 0.64 -0.23 -0.14 0.00 -1.03 0.00 0.00 54.13 53.37 2if7 s LEU 97 Cb -0.23 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 2if7 s LEU 97 CO 0.28 0.24 0.30 -0.44 0.23 0.00 0.00 176.35 176.96 2if7 s SER 98 N -0.08 6.11 -0.00 2.29 0.01 -0.57 -4.80 113.70 116.66 2if7 s SER 98 Ca -0.01 -0.45 -0.07 0.00 1.31 0.00 0.00 55.95 56.73 2if7 s SER 98 Cb -0.14 -2.17 -0.05 0.00 0.21 0.00 0.00 66.02 63.88 2if7 s SER 98 CO 0.03 -0.32 0.26 -0.44 0.41 0.00 0.00 173.24 173.19 2if7 s SER 99 N 1.73 6.50 0.06 2.44 0.01 -1.26 -1.06 113.70 122.11 2if7 s SER 99 Ca 0.08 0.56 0.04 0.00 1.31 0.00 0.00 55.95 57.94 2if7 s SER 99 Cb -0.17 -2.09 -0.03 0.00 0.21 0.00 0.00 66.02 63.94 2if7 s SER 99 CO 0.11 0.27 -0.11 -0.31 0.41 0.00 0.00 173.24 173.61 2if7 s TYR 100 N -1.27 0.93 -0.22 2.43 1.51 0.12 -2.34 117.35 118.51 2if7 s TYR 100 Ca 0.27 -0.50 0.01 0.00 -1.01 0.00 0.00 57.07 55.84 2if7 s TYR 100 Cb -0.13 -0.54 0.05 0.00 -0.11 0.00 0.00 41.96 41.23 2if7 s TYR 100 CO 0.15 -0.02 -0.08 0.95 -1.11 0.00 0.00 175.55 175.44 2if7 s THR 101 N -1.43 1.60 -0.29 -0.71 -4.23 -1.19 -1.21 115.64 108.18 2if7 s THR 101 Ca -0.05 -1.12 -0.13 0.00 -1.18 0.00 0.00 61.69 59.21 2if7 s THR 101 Cb -0.09 -1.77 -0.04 0.00 1.34 0.00 0.00 72.50 71.94 2if7 s THR 101 CO 0.01 0.04 0.26 -0.22 -0.54 0.00 0.00 174.62 174.17 2if7 s LEU 102 N 1.39 4.14 -0.16 4.79 2.96 -0.33 -1.62 118.68 129.86 2if7 s LEU 102 Ca -0.04 -0.02 -0.07 0.00 -0.22 0.00 0.00 54.13 53.78 2if7 s LEU 102 Cb -0.18 -2.22 -0.04 0.00 0.50 0.00 0.00 46.19 44.25 2if7 s LEU 102 CO -0.07 -0.14 0.08 -0.13 -1.32 0.00 0.00 176.35 174.77 2if7 s ARG 103 N 1.86 3.74 -0.37 1.98 0.52 -0.31 -1.35 118.95 125.02 2if7 s ARG 103 Ca 0.09 -0.28 -0.14 0.00 -0.52 0.00 0.00 55.73 54.88 2if7 s ARG 103 Cb -0.16 -3.18 0.00 0.00 0.52 0.00 0.00 34.95 32.13 2if7 s ARG 103 CO 0.11 0.46 0.26 0.42 0.02 0.00 0.00 175.30 176.57 2if7 s ILE 104 N -0.14 5.20 0.04 1.52 -1.09 -1.26 -1.43 121.20 124.04 2if7 s ILE 104 Ca 0.08 -0.46 0.02 0.00 -2.23 0.00 0.00 60.65 58.06 2if7 s ILE 104 Cb -0.12 -3.78 -0.04 0.00 -1.58 0.00 0.00 42.46 36.94 2if7 s ILE 104 CO 0.01 -0.15 0.07 -0.76 -1.23 0.00 0.00 174.94 172.88 2if7 s LEU 105 N 1.69 3.81 0.05 2.97 1.43 0.61 -4.85 118.68 124.40 2if7 s LEU 105 Ca 0.05 0.05 -0.00 0.00 -1.03 0.00 0.00 54.13 53.20 2if7 s LEU 105 Cb -0.18 -2.36 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 2if7 s LEU 105 CO 0.10 0.22 0.21 0.00 0.23 0.00 0.00 176.35 177.11 2if7 s ARG 106 N -2.06 3.44 0.68 1.70 1.70 -1.26 -0.43 118.95 122.71 2if7 s ARG 106 Ca 0.26 -0.43 -0.17 0.00 -0.47 0.00 0.00 55.73 54.92 2if7 s ARG 106 Cb -0.12 -3.05 0.01 0.00 -0.57 0.00 0.00 34.95 31.22 2if7 s ARG 106 CO 0.18 0.62 1.28 1.04 -1.08 0.00 0.00 175.30 177.34 2if7 n GLN 107 N 0.36 0.96 -2.66 3.89 1.13 -1.26 -4.90 117.38 114.90 2if7 n GLN 107 Ca -0.06 0.39 -0.41 0.00 -1.94 0.00 0.00 57.00 54.98 2if7 n GLN 107 Cb 0.51 -2.52 -0.04 0.00 0.11 0.00 0.00 30.24 28.30 2if7 n GLN 107 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2if7 s LEU 108 N -4.60 4.44 0.13 1.08 1.02 -1.26 -5.05 118.68 114.43 2if7 s LEU 108 Ca 0.81 1.81 0.09 0.00 0.02 0.00 0.00 54.13 56.86 2if7 s LEU 108 Cb -0.36 -3.58 -0.04 0.00 0.02 0.00 0.00 46.19 42.22 2if7 s LEU 108 CO 0.42 -0.20 -0.22 -0.13 0.02 0.00 0.00 176.35 176.24 2if7 s ARG 109 N 0.43 1.27 -0.50 1.70 1.81 -1.26 -4.87 118.95 117.54 2if7 s ARG 109 Ca 0.50 -1.30 -0.18 0.00 -1.72 0.00 0.00 55.73 53.03 2if7 s ARG 109 Cb -0.24 -1.57 0.02 0.00 -0.45 0.00 0.00 34.95 32.72 2if7 s ARG 109 CO 0.30 0.36 0.63 0.09 -0.68 0.00 0.00 175.30 175.99 2if7 n ASN 110 N 0.80 -7.21 -4.80 0.23 4.13 -1.26 -2.91 115.26 104.25 2if7 n ASN 110 Ca -0.17 0.21 -0.39 0.00 1.68 0.00 0.00 54.58 55.91 2if7 n ASN 110 Cb 0.54 -4.33 -0.06 0.00 -1.54 0.00 0.00 39.78 34.40 2if7 n ASN 110 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 2if7 s ILE 111 N -2.43 4.77 -0.02 2.41 2.07 -1.26 -2.58 121.20 124.17 2if7 s ILE 111 Ca 0.23 1.24 0.02 0.00 -1.41 0.00 0.00 60.65 60.72 2if7 s ILE 111 Cb -0.05 -3.91 0.00 0.00 0.13 0.00 0.00 42.46 38.63 2if7 s ILE 111 CO 0.80 0.52 -0.06 -1.58 -1.91 0.00 0.00 174.94 172.71 2if7 s GLN 112 N -0.87 0.63 -0.17 3.50 2.00 -0.75 -4.93 119.66 119.07 2if7 s GLN 112 Ca 0.30 -0.20 -0.07 0.00 -2.00 0.00 0.00 55.36 53.38 2if7 s GLN 112 Cb -0.19 -0.62 -0.04 0.00 0.80 0.00 0.00 33.01 32.96 2if7 s GLN 112 CO 0.19 0.08 0.08 0.08 -0.50 0.00 0.00 175.29 175.22 2if7 s VAL 113 N 0.16 4.99 0.04 1.34 1.01 -1.26 0.79 120.40 127.46 2if7 s VAL 113 Ca -0.02 0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.08 2if7 s VAL 113 Cb -0.06 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 2if7 s VAL 113 CO -0.00 0.49 -0.25 -0.89 0.00 0.00 0.00 175.10 174.44 2if7 s THR 114 N 0.06 2.20 -0.44 3.92 2.01 0.15 -4.95 115.64 118.59 2if7 s THR 114 Ca 0.07 -1.33 -0.12 0.00 0.31 0.00 0.00 61.69 60.62 2if7 s THR 114 Cb -0.12 -1.85 0.07 0.00 0.01 0.00 0.00 72.50 70.61 2if7 s THR 114 CO 0.00 0.39 0.31 0.21 -0.69 0.00 0.00 174.62 174.84 2if7 s ASN 115 N -1.18 5.84 -0.19 3.53 2.47 -1.26 -1.58 114.94 122.57 2if7 s ASN 115 Ca 0.12 -1.40 0.13 0.00 0.42 0.00 0.00 52.86 52.13 2if7 s ASN 115 Cb -0.10 -2.07 0.73 0.00 -1.45 0.00 0.00 41.25 38.36 2if7 s ASN 115 CO 0.02 -0.57 1.62 1.41 -3.72 0.00 0.00 177.10 175.86 2if7 n HIS 116 N 5.03 1.80 -0.43 0.43 8.25 0.17 -5.00 115.22 125.47 2if7 n HIS 116 Ca -0.11 -0.64 -0.30 0.00 -0.26 0.00 0.00 57.72 56.41 2if7 n HIS 116 Cb 0.43 -0.43 0.28 0.00 1.12 0.00 0.00 29.99 31.39 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 -0.73 -0.67 0.47 0.41 0.01 -1.07 -4.62 113.70 107.51 2if7 s SER 117 Ca 0.49 0.96 -0.21 0.00 1.31 0.00 0.00 55.95 58.49 2if7 s SER 117 Cb 0.36 -1.39 -0.08 0.00 0.21 0.00 0.00 66.02 65.12 2if7 s SER 117 CO 0.16 -5.14 1.08 0.00 0.41 0.00 0.00 173.24 169.76 2if7 s GLN 118 N -4.98 3.78 0.06 12.44 -2.07 -1.26 -4.92 119.66 122.71 2if7 s GLN 118 Ca 0.69 1.52 -0.33 0.00 -1.82 0.00 0.00 55.36 55.42 2if7 s GLN 118 Cb -0.15 -2.24 -0.18 0.00 -1.09 0.00 0.00 33.01 29.36 2if7 s GLN 118 CO 0.59 -0.47 1.49 -0.07 -1.32 0.00 0.00 175.29 175.51 2if7 h LEU 119 N 1.79 -1.06 -9.26 2.60 4.07 -1.98 -3.41 115.31 108.06 2if7 h LEU 119 Ca -0.49 0.05 -0.58 0.00 0.08 0.00 0.00 57.88 56.94 2if7 h LEU 119 Cb 1.23 0.29 -0.08 0.00 1.08 0.00 0.00 40.66 43.18 2if7 h LEU 119 CO 0.60 -0.69 -0.02 0.12 -1.08 0.00 0.00 178.44 177.37 2if7 s PHE 120 N -5.57 3.48 -0.18 1.13 2.19 -1.26 -5.07 117.98 112.69 2if7 s PHE 120 Ca -0.17 0.96 -0.09 0.00 0.33 0.00 0.00 56.93 57.96 2if7 s PHE 120 Cb 0.02 -2.68 -0.05 0.00 -1.31 0.00 0.00 43.02 39.00 2if7 s PHE 120 CO 0.52 0.04 0.13 -0.65 1.83 0.00 0.00 175.22 177.09 2if7 s GLN 121 N 1.09 4.05 -0.59 10.12 -1.52 -1.26 -5.02 119.66 126.54 2if7 s GLN 121 Ca 0.29 -0.21 -0.00 0.00 -1.95 0.00 0.00 55.36 53.49 2if7 s GLN 121 Cb -0.16 -3.37 0.48 0.00 -0.22 0.00 0.00 33.01 29.74 2if7 s GLN 121 CO 0.12 0.39 2.00 0.27 -0.25 0.00 0.00 175.29 177.82 2if7 n ASN 122 N 3.23 6.64 0.00 5.90 6.94 -1.26 -4.89 115.26 131.82 2if7 n ASN 122 Ca -0.17 -3.68 0.00 0.00 -0.02 0.00 0.00 54.58 50.71 2if7 n ASN 122 Cb 0.53 -0.95 0.00 0.00 -2.36 0.00 0.00 39.78 37.00 2if7 n ASN 122 CO 0.00 0.00 0.00 0.80 -1.03 0.00 0.00 177.26 177.03 2if7 n MET 123 N -0.88 0.00 -2.78 -3.83 0.00 -1.26 -4.63 117.12 103.73 2if7 n MET 123 Ca 0.60 0.00 -0.43 0.00 -0.00 0.00 0.00 57.70 57.86 2if7 n MET 123 Cb 0.90 -0.45 -0.01 0.00 0.00 0.00 0.00 33.22 33.66 2if7 n MET 123 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 2if7 s THR 124 N 0.00 4.54 -0.08 1.12 -1.32 -1.26 -4.48 115.64 114.15 2if7 s THR 124 Ca 0.00 -1.86 -0.20 0.00 -1.21 0.00 0.00 61.69 58.42 2if7 s THR 124 Cb 0.00 -4.98 -0.04 0.00 -1.51 0.00 0.00 72.50 65.97 2if7 s THR 124 CO 0.00 -1.75 0.56 0.00 -2.21 0.00 0.00 174.62 171.22 2if7 s GLU 126 N 0.49 2.36 -0.11 0.00 -1.05 -1.26 -1.46 118.70 117.68 2if7 s GLU 126 Ca 0.30 -0.62 0.02 0.00 -0.15 0.00 0.00 54.97 54.52 2if7 s GLU 126 Cb -0.16 -1.94 -0.01 0.00 -0.44 0.00 0.00 34.13 31.58 2if7 s GLU 126 CO 0.14 -0.00 -0.18 -0.51 0.95 0.00 0.00 175.26 175.65 2if7 s LEU 127 N 0.81 2.42 -0.37 1.83 1.43 -0.80 -4.39 118.68 119.60 2if7 s LEU 127 Ca -0.10 -0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 52.55 2if7 s LEU 127 Cb -0.16 -1.51 0.09 0.00 0.03 0.00 0.00 46.19 44.65 2if7 s LEU 127 CO 0.01 0.18 0.13 -2.28 0.23 0.00 0.00 176.35 174.62 2if7 s HIS 128 N 0.26 3.53 0.39 0.29 2.46 -1.26 -2.55 115.29 118.42 2if7 s HIS 128 Ca -0.13 -2.35 0.08 0.00 0.47 0.00 0.00 55.06 53.13 2if7 s HIS 128 Cb -0.16 -2.89 -0.02 0.00 -0.13 0.00 0.00 32.58 29.38 2if7 s HIS 128 CO 0.07 -0.92 0.38 -0.51 -2.47 0.00 0.00 174.74 171.29 2if7 s LEU 129 N 1.14 3.49 -0.27 8.88 1.43 -0.03 0.45 118.68 133.78 2if7 s LEU 129 Ca 0.05 -0.63 -0.22 0.00 -1.03 0.00 0.00 54.13 52.30 2if7 s LEU 129 Cb -0.21 -2.19 0.07 0.00 0.03 0.00 0.00 46.19 43.89 2if7 s LEU 129 CO -0.04 -0.59 0.70 0.28 0.23 0.00 0.00 176.35 176.93 2if7 s THR 130 N -2.41 -0.00 0.03 5.49 -1.32 -0.61 -1.64 115.64 115.17 2if7 s THR 130 Ca 0.47 0.00 -0.00 0.00 -1.21 0.00 0.00 61.69 60.95 2if7 s THR 130 Cb -0.05 -0.98 -0.04 0.00 -1.51 0.00 0.00 72.50 69.93 2if7 s THR 130 CO 0.28 0.00 0.13 0.00 -2.21 0.00 0.00 174.62 172.83 2if7 s SER 132 N -2.09 1.10 0.04 0.00 0.01 0.24 -4.76 113.70 108.23 2if7 s SER 132 Ca 0.28 -1.23 -0.03 0.00 1.31 0.00 0.00 55.95 56.28 2if7 s SER 132 Cb -0.12 0.15 -0.02 0.00 0.21 0.00 0.00 66.02 66.24 2if7 s SER 132 CO 0.20 -0.63 0.03 -0.69 0.41 0.00 0.00 173.24 172.55 2if7 s VAL 133 N -3.73 0.15 0.14 3.43 1.01 -1.26 -1.80 120.40 118.34 2if7 s VAL 133 Ca 0.28 -1.24 -0.26 0.00 0.00 0.00 0.00 61.98 60.76 2if7 s VAL 133 Cb 0.07 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.55 2if7 s VAL 133 CO 0.06 -0.68 1.60 -0.08 0.00 0.00 0.00 175.10 176.00 2if7 h GLU 134 N 3.80 -0.37 -4.88 2.72 4.81 -1.37 -3.33 114.58 115.97 2if7 h GLU 134 Ca -0.33 0.03 -0.63 0.00 -0.13 0.00 0.00 59.36 58.30 2if7 h GLU 134 Cb 1.18 0.09 -0.35 0.00 0.63 0.00 0.00 28.75 30.29 2if7 h GLU 134 CO 0.52 -0.25 -0.85 0.34 -0.73 0.00 0.00 179.01 178.04 2if7 s ASP 135 N -4.94 2.85 0.31 1.04 2.15 -1.26 -5.11 116.67 111.70 2if7 s ASP 135 Ca -0.15 -0.54 -0.29 0.00 0.43 0.00 0.00 52.55 51.99 2if7 s ASP 135 Cb 0.11 -1.30 -0.11 0.00 -0.30 0.00 0.00 42.92 41.32 2if7 s ASP 135 CO 0.66 -0.01 1.55 0.00 -0.17 0.00 0.00 175.17 177.20 2if7 s ALA 136 N 1.25 3.68 0.05 3.66 0.00 -1.25 -5.03 121.76 124.12 2if7 s ALA 136 Ca 0.02 1.55 0.04 0.00 0.00 0.00 0.00 51.96 53.57 2if7 s ALA 136 Cb -0.14 -3.63 -0.02 0.00 0.00 0.00 0.00 23.12 19.33 2if7 s ALA 136 CO -0.09 -0.98 -0.12 0.34 0.00 0.00 0.00 175.76 174.90 2if7 s ASP 137 N 0.28 1.46 0.58 0.00 -1.08 -1.26 -5.00 116.67 111.65 2if7 s ASP 137 Ca 0.60 -0.50 0.32 0.00 -0.52 0.00 0.00 52.55 52.45 2if7 s ASP 137 Cb -0.47 -0.06 1.41 0.00 -1.46 0.00 0.00 42.92 42.34 2if7 s ASP 137 CO 0.52 -0.04 1.74 0.44 0.52 0.00 0.00 175.17 178.36 2if7 h ASP 138 N 4.73 0.00 -0.05 -0.34 3.32 -2.05 -1.22 116.42 120.81 2if7 h ASP 138 Ca -0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.67 2if7 h ASP 138 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2if7 h ASP 138 CO 0.43 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.49 2if7 n ASN 139 N -3.80 1.36 -4.82 6.45 2.04 -1.26 -4.89 115.26 110.34 2if7 n ASN 139 Ca 0.19 -1.51 -0.38 0.00 -0.44 0.00 0.00 54.58 52.44 2if7 n ASN 139 Cb 1.08 -0.03 -0.06 0.00 -2.53 0.00 0.00 39.78 38.25 2if7 n ASN 139 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 2if7 s VAL 140 N -1.94 4.78 -0.10 3.53 1.01 -0.46 -4.51 120.40 122.71 2if7 s VAL 140 Ca 0.37 1.12 0.01 0.00 0.00 0.00 0.00 61.98 63.48 2if7 s VAL 140 Cb 0.20 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.74 2if7 s VAL 140 CO 0.31 0.49 -0.11 -0.55 0.00 0.00 0.00 175.10 175.25 2if7 s SER 141 N -1.23 2.10 0.04 3.32 0.15 -0.10 -4.96 113.70 113.02 2if7 s SER 141 Ca 0.30 -0.33 0.03 0.00 0.70 0.00 0.00 55.95 56.65 2if7 s SER 141 Cb -0.18 -0.89 -0.04 0.00 -1.71 0.00 0.00 66.02 63.20 2if7 s SER 141 CO 0.19 -0.04 0.01 -0.36 1.20 0.00 0.00 173.24 174.23 2if7 s PHE 142 N 1.21 3.06 -0.20 3.44 0.08 -1.26 -1.35 117.98 122.96 2if7 s PHE 142 Ca -0.04 0.04 -0.18 0.00 0.12 0.00 0.00 56.93 56.87 2if7 s PHE 142 Cb -0.14 -1.62 0.05 0.00 -0.57 0.00 0.00 43.02 40.74 2if7 s PHE 142 CO -0.03 0.47 0.53 -0.98 -0.10 0.00 0.00 175.22 175.11 2if7 s ARG 143 N -1.91 0.61 0.08 0.44 1.70 -1.00 -2.81 118.95 116.07 2if7 s ARG 143 Ca 0.23 0.74 0.01 0.00 -0.47 0.00 0.00 55.73 56.25 2if7 s ARG 143 Cb -0.12 0.29 -0.04 0.00 -0.57 0.00 0.00 34.95 34.51 2if7 s ARG 143 CO 0.14 -0.08 0.18 -1.58 -1.08 0.00 0.00 175.30 172.89 2if7 s TRP 144 N 0.33 3.41 -0.02 5.89 0.52 -0.86 -1.12 118.94 127.11 2if7 s TRP 144 Ca -0.00 0.18 -0.01 0.00 0.02 0.00 0.00 56.10 56.29 2if7 s TRP 144 Cb -0.04 -1.70 0.01 0.00 -1.15 0.00 0.00 33.47 30.59 2if7 s TRP 144 CO 0.00 0.56 0.03 -1.21 0.02 0.00 0.00 176.95 176.35 2if7 s GLU 145 N -2.61 0.01 0.04 4.98 2.02 -0.42 -0.98 118.70 121.74 2if7 s GLU 145 Ca 0.33 0.10 0.01 0.00 0.02 0.00 0.00 54.97 55.43 2if7 s GLU 145 Cb -0.12 -0.07 -0.03 0.00 0.10 0.00 0.00 34.13 34.01 2if7 s GLU 145 CO 0.26 -0.06 -0.05 0.00 0.02 0.00 0.00 175.26 175.44 2if7 s ALA 146 N 0.39 0.38 -1.30 5.21 0.00 0.01 -1.30 121.76 125.14 2if7 s ALA 146 Ca -0.03 -0.80 -0.17 0.00 0.00 0.00 0.00 51.96 50.96 2if7 s ALA 146 Cb -0.05 0.14 0.17 0.00 0.00 0.00 0.00 23.12 23.38 2if7 s ALA 146 CO -0.01 -0.16 0.41 1.28 0.00 0.00 0.00 175.76 177.28 2if7 n LEU 147 N 1.18 -0.57 0.00 0.00 4.77 -1.26 0.27 117.00 121.39 2if7 n LEU 147 Ca -0.21 -0.82 0.00 0.00 -0.03 0.00 0.00 56.01 54.95 2if7 n LEU 147 Cb 0.56 -1.19 0.00 0.00 -2.33 0.00 0.00 43.42 40.46 2if7 n LEU 147 CO 0.22 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 2if7 n GLY 148 N -0.87 1.49 3.52 -0.72 0.00 -1.26 -5.00 105.19 102.35 2if7 n GLY 148 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.24 5.11 -0.33 1.61 0.01 0.77 -5.07 114.94 113.80 2if7 s ASN 149 Ca 0.00 -0.09 -0.29 0.00 -0.71 0.00 0.00 52.86 51.77 2if7 s ASN 149 Cb 0.00 -1.87 0.01 0.00 0.41 0.00 0.00 41.25 39.80 2if7 s ASN 149 CO 0.00 0.12 1.27 0.28 -1.51 0.00 0.00 177.10 177.26 2if7 s THR 150 N 0.66 4.17 -1.70 1.60 -1.32 -1.26 -0.81 115.64 116.98 2if7 s THR 150 Ca 0.01 1.31 0.24 0.00 -1.21 0.00 0.00 61.69 62.03 2if7 s THR 150 Cb -0.14 -4.23 0.03 0.00 -1.51 0.00 0.00 72.50 66.66 2if7 s THR 150 CO 0.02 -0.54 1.21 0.18 -2.21 0.00 0.00 174.62 173.28 2if7 n LEU 151 N 7.65 1.46 -3.53 9.08 4.77 -0.15 -4.96 117.00 131.32 2if7 n LEU 151 Ca 0.14 -0.52 -0.08 0.00 -0.03 0.00 0.00 56.01 55.53 2if7 n LEU 151 Cb 0.47 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.49 2if7 n LEU 151 CO 0.64 0.28 0.70 -0.55 -1.33 0.00 0.00 177.39 177.13 2if7 s SER 152 N -2.62 -0.34 -0.25 -1.43 0.15 -1.22 -4.93 113.70 103.05 2if7 s SER 152 Ca 0.18 -0.03 0.16 0.00 0.70 0.00 0.00 55.95 56.96 2if7 s SER 152 Cb 0.18 0.39 0.48 0.00 -1.71 0.00 0.00 66.02 65.36 2if7 s SER 152 CO 0.62 -0.63 1.15 -1.20 1.20 0.00 0.00 173.24 174.38 2if7 n SER 153 N -0.26 2.85 -3.66 5.45 7.64 -1.26 -2.02 113.62 122.36 2if7 n SER 153 Ca -0.08 -2.80 -0.09 0.00 1.01 0.00 0.00 58.87 56.91 2if7 n SER 153 Cb 0.62 -0.42 -0.03 0.00 -1.01 0.00 0.00 64.21 63.37 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 -3.44 1.80 0.19 1.43 1.03 -1.12 -4.71 119.66 114.84 2if7 s GLN 154 Ca 0.37 -1.26 -0.20 0.00 0.04 0.00 0.00 55.36 54.31 2if7 s GLN 154 Cb 0.36 0.54 0.14 0.00 0.03 0.00 0.00 33.01 34.08 2if7 s GLN 154 CO -0.02 -0.79 1.58 -1.35 -2.54 0.00 0.00 175.29 172.17 2if7 h PRO 155 N 2.11 -0.13 -7.04 9.60 0.11 -1.86 -3.41 132.00 131.38 2if7 h PRO 155 Ca -0.25 0.01 -0.51 0.00 0.11 0.00 0.00 66.00 65.35 2if7 h PRO 155 Cb 1.25 0.03 0.08 0.00 0.11 0.00 0.00 31.00 32.47 2if7 h PRO 155 CO 0.33 -0.09 0.49 -0.80 -0.21 0.00 0.00 178.00 177.72 2if7 s ASN 156 N -5.20 5.82 -0.07 -2.05 0.01 -1.26 -2.07 114.94 110.11 2if7 s ASN 156 Ca -0.14 2.35 -0.03 0.00 -0.71 0.00 0.00 52.86 54.33 2if7 s ASN 156 Cb 0.16 -2.60 0.04 0.00 0.41 0.00 0.00 41.25 39.26 2if7 s ASN 156 CO 0.69 -1.16 0.14 -0.22 -1.51 0.00 0.00 177.10 175.04 2if7 s LEU 157 N -3.40 0.33 -0.19 0.60 0.20 -0.65 -4.86 118.68 110.71 2if7 s LEU 157 Ca 0.68 0.29 -0.02 0.00 0.69 0.00 0.00 54.13 55.77 2if7 s LEU 157 Cb -0.29 0.28 -0.01 0.00 -0.43 0.00 0.00 46.19 45.73 2if7 s LEU 157 CO 0.35 -0.20 -0.08 -0.89 -0.29 0.00 0.00 176.35 175.24 2if7 s THR 158 N 1.75 3.23 0.36 3.68 2.01 -1.26 -0.85 115.64 124.56 2if7 s THR 158 Ca -0.03 -0.56 0.03 0.00 0.31 0.00 0.00 61.69 61.45 2if7 s THR 158 Cb -0.12 -2.43 -0.05 0.00 0.01 0.00 0.00 72.50 69.92 2if7 s THR 158 CO -0.06 0.47 0.09 -0.69 -0.69 0.00 0.00 174.62 173.74 2if7 s VAL 159 N 1.06 0.92 0.05 3.82 1.01 -1.06 -5.00 120.40 121.21 2if7 s VAL 159 Ca 0.00 -2.00 0.01 0.00 0.00 0.00 0.00 61.98 59.99 2if7 s VAL 159 Cb -0.15 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 2if7 s VAL 159 CO -0.01 0.00 -0.06 -0.44 0.00 0.00 0.00 175.10 174.59 2if7 s SER 160 N -3.53 0.71 -0.22 3.32 0.01 -1.26 -1.90 113.70 110.83 2if7 s SER 160 Ca 0.31 -0.73 -0.13 0.00 1.31 0.00 0.00 55.95 56.72 2if7 s SER 160 Cb 0.06 0.09 0.07 0.00 0.21 0.00 0.00 66.02 66.45 2if7 s SER 160 CO 0.15 -0.36 0.54 0.86 0.41 0.00 0.00 173.24 174.83 2if7 s TRP 161 N -2.38 -0.79 -0.10 2.43 -0.00 -0.53 -5.01 118.94 112.56 2if7 s TRP 161 Ca -0.03 1.64 -0.01 0.00 -0.00 0.00 0.00 56.10 57.70 2if7 s TRP 161 Cb -0.03 0.41 0.03 0.00 -0.00 0.00 0.00 33.47 33.87 2if7 s TRP 161 CO -0.03 -0.41 -0.04 0.34 -0.00 0.00 0.00 176.95 176.81 2if7 s ASP 162 N 1.37 1.97 0.54 5.86 2.15 -1.26 -2.70 116.67 124.59 2if7 s ASP 162 Ca -0.09 -0.23 0.29 0.00 0.43 0.00 0.00 52.55 52.95 2if7 s ASP 162 Cb -0.07 -0.67 1.58 0.00 -0.30 0.00 0.00 42.92 43.47 2if7 s ASP 162 CO -0.14 -0.16 1.87 1.55 -0.17 0.00 0.00 175.17 178.12 2if7 h PRO 163 N 8.24 0.00 -0.00 4.34 0.13 -1.81 -1.43 132.00 141.47 2if7 h PRO 163 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 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 0.34 0.00 -0.07 0.54 -0.23 0.00 0.00 178.00 178.58 2if7 n ARG 164 N -2.66 0.16 0.00 0.86 1.74 -1.26 -4.50 116.66 111.00 2if7 n ARG 164 Ca -0.02 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 2if7 n ARG 164 Cb 0.23 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 2if7 n ARG 164 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 2if7 n ILE 165 N -1.40 0.00 -3.45 0.55 -5.35 -0.67 -5.08 119.36 103.96 2if7 n ILE 165 Ca 0.09 0.00 -0.33 0.00 -0.27 0.00 0.00 62.75 62.24 2if7 n ILE 165 Cb 0.31 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 38.16 2if7 n ILE 165 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2if7 s SER 166 N -1.72 6.66 0.79 7.28 1.04 -0.63 -5.06 113.70 122.06 2if7 s SER 166 Ca 0.00 0.91 -0.06 0.00 0.48 0.00 0.00 55.95 57.27 2if7 s SER 166 Cb 0.00 -2.22 0.14 0.00 0.10 0.00 0.00 66.02 64.04 2if7 s SER 166 CO 0.00 0.02 1.09 -0.94 0.98 0.00 0.00 173.24 174.39 2if7 s SER 167 N -2.12 4.06 0.22 7.02 1.04 -1.26 -4.48 113.70 118.17 2if7 s SER 167 Ca 0.42 -0.04 -0.30 0.00 0.48 0.00 0.00 55.95 56.52 2if7 s SER 167 Cb -0.13 -0.29 -0.08 0.00 0.10 0.00 0.00 66.02 65.62 2if7 s SER 167 CO 0.21 -2.07 1.09 -1.61 0.98 0.00 0.00 173.24 171.83 2if7 s GLU 168 N -5.38 4.63 0.20 4.02 2.02 -1.26 -4.99 118.70 117.94 2if7 s GLU 168 Ca 0.67 1.73 -0.23 0.00 0.02 0.00 0.00 54.97 57.16 2if7 s GLU 168 Cb -0.06 -3.25 0.05 0.00 0.10 0.00 0.00 34.13 30.97 2if7 s GLU 168 CO 0.47 0.16 0.76 1.14 0.02 0.00 0.00 175.26 177.81 2if7 s GLN 169 N -0.81 1.46 -0.14 1.61 -2.07 -1.26 -5.08 119.66 113.36 2if7 s GLN 169 Ca 0.47 -0.74 -0.00 0.00 -1.82 0.00 0.00 55.36 53.27 2if7 s GLN 169 Cb -0.30 0.54 -0.01 0.00 -1.09 0.00 0.00 33.01 32.15 2if7 s GLN 169 CO 0.37 -0.66 -0.13 -0.51 -1.32 0.00 0.00 175.29 173.04 2if7 s ASP 170 N -2.85 4.01 -0.02 12.60 1.01 -1.26 -1.80 116.67 128.36 2if7 s ASP 170 Ca 0.09 -0.34 -0.24 0.00 0.71 0.00 0.00 52.55 52.77 2if7 s ASP 170 Cb -0.03 -1.62 -0.04 0.00 1.01 0.00 0.00 42.92 42.24 2if7 s ASP 170 CO 0.00 0.15 0.73 -0.31 0.21 0.00 0.00 175.17 175.96 2if7 s TYR 171 N 0.44 3.64 -0.21 4.23 2.02 0.10 -4.47 117.35 123.11 2if7 s TYR 171 Ca -0.10 1.35 0.01 0.00 -0.37 0.00 0.00 57.07 57.96 2if7 s TYR 171 Cb -0.16 -2.82 0.05 0.00 -0.40 0.00 0.00 41.96 38.63 2if7 s TYR 171 CO 0.05 0.16 -0.08 0.99 -1.57 0.00 0.00 175.55 175.10 2if7 s THR 172 N 0.46 1.53 0.40 -0.71 2.01 -0.42 -2.06 115.64 116.86 2if7 s THR 172 Ca 0.38 -1.04 -0.23 0.00 0.31 0.00 0.00 61.69 61.12 2if7 s THR 172 Cb -0.19 -1.69 -0.10 0.00 0.01 0.00 0.00 72.50 70.53 2if7 s THR 172 CO 0.20 0.06 0.96 0.00 -0.69 0.00 0.00 174.62 175.16 2if7 s ILE 174 N -1.98 0.20 -0.05 0.00 1.01 -0.27 -2.24 121.20 117.86 2if7 s ILE 174 Ca 0.59 -0.39 -0.08 0.00 0.00 0.00 0.00 60.65 60.77 2if7 s ILE 174 Cb -0.13 -0.81 -0.05 0.00 0.01 0.00 0.00 42.46 41.48 2if7 s ILE 174 CO 0.17 -0.28 0.24 0.00 0.00 0.00 0.00 174.94 175.08 2if7 s ALA 175 N 2.00 3.83 -0.08 9.38 0.00 -0.16 -2.37 121.76 134.36 2if7 s ALA 175 Ca 0.01 -0.53 -0.27 0.00 0.00 0.00 0.00 51.96 51.17 2if7 s ALA 175 Cb -0.17 -2.09 0.06 0.00 0.00 0.00 0.00 23.12 20.93 2if7 s ALA 175 CO -0.10 0.60 0.62 -1.83 0.00 0.00 0.00 175.76 175.05 2if7 s GLU 176 N -1.30 0.94 0.48 0.00 -1.05 -0.45 -0.91 118.70 116.41 2if7 s GLU 176 Ca 0.21 0.32 0.02 0.00 -0.15 0.00 0.00 54.97 55.37 2if7 s GLU 176 Cb -0.13 0.44 -0.01 0.00 -0.44 0.00 0.00 34.13 33.99 2if7 s GLU 176 CO 0.10 -0.26 0.06 0.54 0.95 0.00 0.00 175.26 176.65 2if7 s ASN 177 N -0.90 3.65 0.24 0.83 2.20 -0.91 -0.92 114.94 119.12 2if7 s ASN 177 Ca -0.09 -1.70 -0.06 0.00 -0.94 0.00 0.00 52.86 50.07 2if7 s ASN 177 Cb -0.02 0.60 0.42 0.00 -2.00 0.00 0.00 41.25 40.25 2if7 s ASN 177 CO 0.07 -0.93 1.30 0.00 -2.94 0.00 0.00 177.10 174.61 2if7 n ALA 178 N -1.15 0.23 0.60 3.54 0.00 -1.26 -2.78 120.51 119.69 2if7 n ALA 178 Ca -0.15 0.92 0.07 0.00 0.00 0.00 0.00 53.44 54.28 2if7 n ALA 178 Cb 0.66 -0.57 0.04 0.00 0.00 0.00 0.00 19.45 19.58 2if7 n ALA 178 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2if7 n VAL 179 N -5.34 0.00 -3.84 0.00 0.24 -1.26 -5.04 118.33 103.09 2if7 n VAL 179 Ca 0.14 -0.45 -0.08 0.00 -2.04 0.00 0.00 64.34 61.92 2if7 n VAL 179 Cb 0.45 1.25 -0.00 0.00 -1.47 0.00 0.00 33.84 34.07 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 -1.39 -0.14 0.04 -1.34 1.04 -1.12 -4.99 113.70 105.80 2if7 s SER 180 Ca 0.15 -0.85 -0.27 0.00 0.48 0.00 0.00 55.95 55.46 2if7 s SER 180 Cb 0.12 0.78 0.07 0.00 0.10 0.00 0.00 66.02 67.09 2if7 s SER 180 CO 0.24 -1.50 0.63 0.54 0.98 0.00 0.00 173.24 174.13 2if7 s ASN 181 N -2.99 -0.60 0.26 7.02 6.03 -1.26 -2.13 114.94 121.27 2if7 s ASN 181 Ca 0.13 0.37 0.02 0.00 -1.03 0.00 0.00 52.86 52.35 2if7 s ASN 181 Cb -0.06 0.56 -0.05 0.00 -3.03 0.00 0.00 41.25 38.67 2if7 s ASN 181 CO 0.09 -0.76 0.09 -0.76 -2.03 0.00 0.00 177.10 173.72 2if7 s LEU 182 N -1.89 1.72 -0.30 3.54 1.43 -0.09 -4.96 118.68 118.13 2if7 s LEU 182 Ca -0.06 -1.37 -0.12 0.00 -1.03 0.00 0.00 54.13 51.55 2if7 s LEU 182 Cb -0.00 -0.02 0.13 0.00 0.03 0.00 0.00 46.19 46.33 2if7 s LEU 182 CO -0.00 -0.71 0.76 -0.94 0.23 0.00 0.00 176.35 175.68 2if7 s SER 183 N -3.32 -0.94 0.01 2.29 1.04 -1.26 -0.99 113.70 110.52 2if7 s SER 183 Ca 0.37 1.34 0.08 0.00 0.48 0.00 0.00 55.95 58.22 2if7 s SER 183 Cb 0.08 1.95 -0.03 0.00 0.10 0.00 0.00 66.02 68.12 2if7 s SER 183 CO 0.13 -0.19 -0.24 0.12 0.98 0.00 0.00 173.24 174.04 2if7 s PHE 184 N 2.50 2.38 -0.25 5.02 5.36 -0.95 -4.99 117.98 127.06 2if7 s PHE 184 Ca -0.06 -0.38 -0.04 0.00 -0.96 0.00 0.00 56.93 55.49 2if7 s PHE 184 Cb -0.09 -1.46 0.09 0.00 -0.34 0.00 0.00 43.02 41.21 2if7 s PHE 184 CO -0.19 0.08 0.11 -1.54 -1.46 0.00 0.00 175.22 172.23 2if7 s SER 185 N -0.98 3.18 0.71 6.13 1.04 -1.26 -0.78 113.70 121.74 2if7 s SER 185 Ca 0.11 -1.08 -0.13 0.00 0.48 0.00 0.00 55.95 55.33 2if7 s SER 185 Cb -0.10 -0.38 0.02 0.00 0.10 0.00 0.00 66.02 65.67 2if7 s SER 185 CO 0.01 -0.40 1.10 0.68 0.98 0.00 0.00 173.24 175.60 2if7 s VAL 186 N 2.06 3.37 -0.11 5.02 -7.23 -0.88 -4.85 120.40 117.78 2if7 s VAL 186 Ca 0.06 0.54 -0.00 0.00 -1.81 0.00 0.00 61.98 60.77 2if7 s VAL 186 Cb -0.16 -3.06 -0.02 0.00 0.56 0.00 0.00 36.38 33.70 2if7 s VAL 186 CO -0.26 -0.49 -0.11 -0.94 -0.31 0.00 0.00 175.10 173.00 2if7 s SER 187 N -3.03 4.24 0.25 4.85 1.04 -1.26 -0.72 113.70 119.06 2if7 s SER 187 Ca 0.64 -0.23 -0.04 0.00 0.48 0.00 0.00 55.95 56.80 2if7 s SER 187 Cb -0.18 -1.45 0.46 0.00 0.10 0.00 0.00 66.02 64.94 2if7 s SER 187 CO 0.48 0.22 1.74 0.00 0.98 0.00 0.00 173.24 176.67 2if7 h ALA 188 N 6.29 1.09 -0.93 5.32 0.00 -1.74 -0.55 119.26 128.73 2if7 h ALA 188 Ca -0.33 0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.76 2if7 h ALA 188 Cb 1.19 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 2if7 h ALA 188 CO 0.56 -0.18 0.60 1.96 0.00 0.00 0.00 179.25 182.19 2if7 h GLN 189 N 0.49 0.99 0.21 0.00 7.50 -1.87 -0.98 115.11 121.45 2if7 h GLN 189 Ca 0.41 -0.06 -0.01 0.00 0.50 0.00 0.00 58.65 59.49 2if7 h GLN 189 Cb 0.60 -0.22 0.00 0.00 0.05 0.00 0.00 27.48 27.91 2if7 h GLN 189 CO -0.38 0.66 -0.10 -0.22 -1.50 0.00 0.00 178.83 177.28 2if7 h LYS 190 N 1.02 -0.27 -0.10 1.46 3.11 -1.52 -3.26 116.57 117.01 2if7 h LYS 190 Ca 0.41 0.02 0.03 0.00 -2.81 0.00 0.00 60.65 58.30 2if7 h LYS 190 Cb 0.26 0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 31.55 2if7 h LYS 190 CO -0.17 0.09 0.15 -0.07 -2.81 0.00 0.00 179.45 176.65 2if7 h LEU 191 N -0.91 0.00 -7.71 5.20 3.38 -1.06 -3.36 115.31 110.85 2if7 h LEU 191 Ca -0.03 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.25 2if7 h LEU 191 Cb 0.49 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 40.89 2if7 h LEU 191 CO 0.05 0.00 -0.52 0.00 0.09 0.00 0.00 178.44 178.06