#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pg7 n ALA 2 N 0.00 -2.76 -2.99 -1.58 0.00 -1.26 -5.04 120.51 106.88 1pg7 n ALA 2 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1pg7 n ALA 2 Cb 0.00 -0.46 -0.15 0.00 0.00 0.00 0.00 19.45 18.84 1pg7 n ALA 2 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pg7 s VAL 3 N -0.74 2.82 -0.30 0.00 1.01 -1.26 -5.00 120.40 116.93 1pg7 s VAL 3 Ca 0.00 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.17 1pg7 s VAL 3 Cb 0.00 -2.15 0.02 0.00 0.00 0.00 0.00 36.38 34.25 1pg7 s VAL 3 CO 0.00 0.54 0.06 -0.69 0.00 0.00 0.00 175.10 175.01 1pg7 s VAL 4 N 0.16 3.68 -0.10 2.92 1.01 -1.26 -1.85 120.40 124.96 1pg7 s VAL 4 Ca -0.09 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 60.95 1pg7 s VAL 4 Cb -0.15 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 1pg7 s VAL 4 CO 0.05 0.01 -0.00 0.42 0.00 0.00 0.00 175.10 175.58 1pg7 s THR 5 N 1.43 4.26 0.17 3.92 -4.23 -0.63 -3.40 115.64 117.15 1pg7 s THR 5 Ca 0.00 -0.26 0.07 0.00 -1.18 0.00 0.00 61.69 60.33 1pg7 s THR 5 Cb -0.18 -2.80 -0.04 0.00 1.34 0.00 0.00 72.50 70.81 1pg7 s THR 5 CO 0.01 0.58 -0.16 -1.10 -0.54 0.00 0.00 174.62 173.42 1pg7 s GLN 6 N -0.64 1.22 0.32 3.99 -0.21 -1.26 -1.77 119.66 121.31 1pg7 s GLN 6 Ca 0.10 -1.42 -0.29 0.00 0.02 0.00 0.00 55.36 53.77 1pg7 s GLN 6 Cb -0.12 -1.13 -0.11 0.00 1.00 0.00 0.00 33.01 32.65 1pg7 s GLN 6 CO 0.02 0.21 1.52 -1.21 -2.12 0.00 0.00 175.29 173.71 1pg7 s GLU 7 N -3.06 4.15 0.10 2.91 8.01 -1.26 -4.84 118.70 124.71 1pg7 s GLU 7 Ca 0.16 2.52 -0.30 0.00 0.01 0.00 0.00 54.97 57.36 1pg7 s GLU 7 Cb -0.04 -3.02 -0.13 0.00 -4.31 0.00 0.00 34.13 26.64 1pg7 s GLU 7 CO 0.05 -0.55 1.62 0.77 0.01 0.00 0.00 175.26 177.17 1pg7 h SER 8 N 4.10 -0.92 -5.02 -0.19 0.02 -1.96 -3.36 113.55 106.22 1pg7 h SER 8 Ca -0.48 0.08 -0.11 0.00 -0.84 0.00 0.00 61.79 60.44 1pg7 h SER 8 Cb 1.23 0.31 -0.19 0.00 0.14 0.00 0.00 62.40 63.90 1pg7 h SER 8 CO 0.73 -0.47 -0.27 0.00 -1.14 0.00 0.00 176.83 175.68 1pg7 s ALA 9 N -6.01 -0.72 -0.01 3.77 0.00 -1.26 -1.96 121.76 115.57 1pg7 s ALA 9 Ca -0.17 0.16 -0.02 0.00 0.00 0.00 0.00 51.96 51.94 1pg7 s ALA 9 Cb 0.06 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.37 1pg7 s ALA 9 CO 0.63 -0.33 0.04 -0.51 0.00 0.00 0.00 175.76 175.60 1pg7 s LEU 11 N -1.68 1.86 -0.08 0.00 1.43 -0.25 -4.92 118.68 115.05 1pg7 s LEU 11 Ca -0.10 -0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.03 1pg7 s LEU 11 Cb -0.03 0.20 -0.01 0.00 0.03 0.00 0.00 46.19 46.38 1pg7 s LEU 11 CO 0.01 -0.09 -0.24 0.28 0.23 0.00 0.00 176.35 176.54 1pg7 s THR 12 N -0.33 2.15 0.35 5.49 -1.32 -1.26 -0.72 115.64 119.99 1pg7 s THR 12 Ca -0.04 -1.01 0.07 0.00 -1.21 0.00 0.00 61.69 59.50 1pg7 s THR 12 Cb -0.03 -1.80 -0.03 0.00 -1.51 0.00 0.00 72.50 69.13 1pg7 s THR 12 CO -0.00 0.56 0.26 -0.94 -2.21 0.00 0.00 174.62 172.29 1pg7 s SER 13 N 0.05 1.89 0.18 8.08 1.04 0.14 -4.96 113.70 120.11 1pg7 s SER 13 Ca -0.10 -1.76 0.08 0.00 0.48 0.00 0.00 55.95 54.66 1pg7 s SER 13 Cb -0.15 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 1pg7 s SER 13 CO 0.06 -1.05 -0.17 -0.44 0.98 0.00 0.00 173.24 172.62 1pg7 s SER 14 N -3.42 2.62 0.29 7.02 0.01 -1.26 -1.40 113.70 117.56 1pg7 s SER 14 Ca 0.38 -0.92 -0.30 0.00 1.31 0.00 0.00 55.95 56.42 1pg7 s SER 14 Cb 0.02 -0.15 -0.12 0.00 0.21 0.00 0.00 66.02 65.98 1pg7 s SER 14 CO 0.26 -0.09 1.52 -0.81 0.41 0.00 0.00 173.24 174.53 1pg7 n PRO 15 N 0.04 2.49 0.00 12.44 -0.04 -1.26 -1.89 135.00 146.78 1pg7 n PRO 15 Ca -0.11 0.89 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 1pg7 n PRO 15 Cb 0.58 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 1pg7 n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pg7 n GLY 16 N 1.99 2.78 3.80 0.55 0.00 -0.58 -4.94 105.19 108.79 1pg7 n GLY 16 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1pg7 n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pg7 s GLU 17 N -0.94 2.61 -0.27 1.61 2.12 -0.79 -4.13 118.70 118.91 1pg7 s GLU 17 Ca 0.00 1.02 -0.06 0.00 0.36 0.00 0.00 54.97 56.29 1pg7 s GLU 17 Cb 0.00 -1.95 0.00 0.00 0.26 0.00 0.00 34.13 32.45 1pg7 s GLU 17 CO 0.00 -1.35 0.04 0.99 -0.54 0.00 0.00 175.26 174.39 1pg7 s THR 18 N -3.00 3.73 0.04 -1.70 2.01 -1.26 0.13 115.64 115.59 1pg7 s THR 18 Ca 0.59 -0.66 0.08 0.00 0.31 0.00 0.00 61.69 62.02 1pg7 s THR 18 Cb -0.15 -2.86 -0.03 0.00 0.01 0.00 0.00 72.50 69.47 1pg7 s THR 18 CO 0.55 0.18 -0.24 0.54 -0.69 0.00 0.00 174.62 174.97 1pg7 s VAL 19 N 1.48 2.33 -0.19 3.82 0.11 -0.28 -4.95 120.40 122.71 1pg7 s VAL 19 Ca 0.03 -1.29 0.01 0.00 -2.93 0.00 0.00 61.98 57.80 1pg7 s VAL 19 Cb -0.16 -1.92 0.04 0.00 -1.53 0.00 0.00 36.38 32.81 1pg7 s VAL 19 CO 0.00 0.39 -0.10 -0.89 -3.33 0.00 0.00 175.10 171.17 1pg7 s THR 20 N -0.82 1.59 -0.04 5.04 2.01 -1.26 -0.71 115.64 121.45 1pg7 s THR 20 Ca 0.12 -0.96 -0.08 0.00 0.31 0.00 0.00 61.69 61.09 1pg7 s THR 20 Cb -0.10 -1.67 -0.05 0.00 0.01 0.00 0.00 72.50 70.69 1pg7 s THR 20 CO 0.03 0.18 0.24 -0.76 -0.69 0.00 0.00 174.62 173.62 1pg7 s LEU 21 N 1.42 4.40 0.32 4.42 1.43 -0.58 -4.96 118.68 125.13 1pg7 s LEU 21 Ca -0.01 0.60 0.09 0.00 -1.03 0.00 0.00 54.13 53.78 1pg7 s LEU 21 Cb -0.16 -2.43 -0.06 0.00 0.03 0.00 0.00 46.19 43.57 1pg7 s LEU 21 CO -0.08 0.33 -0.09 0.42 0.23 0.00 0.00 176.35 177.15 1pg7 s THR 22 N -1.16 2.05 -0.11 5.49 -4.23 -1.26 -1.37 115.64 115.05 1pg7 s THR 22 Ca 0.22 -2.19 -0.03 0.00 -1.18 0.00 0.00 61.69 58.51 1pg7 s THR 22 Cb -0.13 -2.56 0.04 0.00 1.34 0.00 0.00 72.50 71.19 1pg7 s THR 22 CO 0.11 -0.25 0.06 0.00 -0.54 0.00 0.00 174.62 174.00 1pg7 s ARG 24 N 2.08 2.84 -0.14 0.00 3.52 -0.73 -1.65 118.95 124.88 1pg7 s ARG 24 Ca 0.03 -0.50 -0.07 0.00 -0.13 0.00 0.00 55.73 55.06 1pg7 s ARG 24 Cb -0.14 -2.68 -0.04 0.00 -1.56 0.00 0.00 34.95 30.53 1pg7 s ARG 24 CO -0.06 0.68 0.11 0.45 -0.81 0.00 0.00 175.30 175.67 1pg7 s SER 25 N -0.94 6.15 0.45 -2.12 0.15 -1.26 -1.60 113.70 114.53 1pg7 s SER 25 Ca 0.14 0.35 0.25 0.00 0.70 0.00 0.00 55.95 57.38 1pg7 s SER 25 Cb -0.11 -1.99 0.61 0.00 -1.71 0.00 0.00 66.02 62.82 1pg7 s SER 25 CO 0.03 0.34 1.70 0.77 1.20 0.00 0.00 173.24 177.28 1pg7 h SER 26 N 5.50 0.00 0.75 5.45 4.64 -1.75 -3.28 113.55 124.85 1pg7 h SER 26 Ca -0.50 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.65 1pg7 h SER 26 Cb 1.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 1pg7 h SER 26 CO 0.62 0.08 -0.81 0.71 -0.87 0.00 0.00 176.83 176.56 1pg7 h THR 27 N 0.00 1.56 0.00 2.95 1.35 -1.95 -3.49 112.91 113.33 1pg7 h THR 27 Ca -0.00 -2.70 0.00 0.00 -0.55 0.00 0.00 66.41 63.16 1pg7 h THR 27 Cb 0.90 2.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.79 1pg7 h THR 27 CO 0.01 0.78 0.00 0.61 -0.25 0.00 0.00 175.52 176.67 1pg7 n GLY 27 N 0.78 -0.54 3.77 5.82 0.00 -1.24 -5.13 105.19 108.66 1pg7 n GLY 27 Ca -0.01 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.78 1pg7 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pg7 s ALA 27 N -1.00 3.46 0.15 4.61 0.00 -1.26 -4.29 121.76 123.42 1pg7 s ALA 27 Ca 0.00 1.35 -0.30 0.00 0.00 0.00 0.00 51.96 53.01 1pg7 s ALA 27 Cb 0.00 -3.52 -0.07 0.00 0.00 0.00 0.00 23.12 19.52 1pg7 s ALA 27 CO 0.00 -0.82 1.22 0.08 0.00 0.00 0.00 175.76 176.24 1pg7 s VAL 27 N -1.16 3.65 0.32 0.00 1.01 -0.40 -4.98 120.40 118.84 1pg7 s VAL 27 Ca 0.52 1.31 0.07 0.00 0.00 0.00 0.00 61.98 63.88 1pg7 s VAL 27 Cb -0.41 -3.84 -0.06 0.00 0.00 0.00 0.00 36.38 32.06 1pg7 s VAL 27 CO 0.55 0.17 -0.05 0.28 0.00 0.00 0.00 175.10 176.06 1pg7 s THR 28 N 0.35 1.81 0.56 3.92 -1.32 -1.26 -4.69 115.64 115.02 1pg7 s THR 28 Ca 0.56 -2.12 0.38 0.00 -1.21 0.00 0.00 61.69 59.30 1pg7 s THR 28 Cb -0.32 -2.63 0.40 0.00 -1.51 0.00 0.00 72.50 68.44 1pg7 s THR 28 CO 0.34 -0.19 2.27 0.71 -2.21 0.00 0.00 174.62 175.54 1pg7 h THR 29 N 2.11 0.22 0.00 5.08 1.35 -2.00 -0.34 112.91 119.34 1pg7 h THR 29 Ca -0.41 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 1pg7 h THR 29 Cb 1.24 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 1pg7 h THR 29 CO 0.70 0.02 0.00 0.28 -0.25 0.00 0.00 175.52 176.27 1pg7 h SER 30 N 0.00 0.00 0.37 5.36 0.02 -1.95 -2.43 113.55 114.92 1pg7 h SER 30 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1pg7 h SER 30 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1pg7 h SER 30 CO 0.00 0.00 -0.10 0.59 -1.14 0.00 0.00 176.83 176.18 1pg7 n ASN 31 N -2.39 0.44 -4.36 3.07 5.03 -0.14 -4.72 115.26 112.19 1pg7 n ASN 31 Ca 0.02 -0.55 -0.36 0.00 0.87 0.00 0.00 54.58 54.56 1pg7 n ASN 31 Cb 0.24 -0.09 -0.07 0.00 -1.02 0.00 0.00 39.78 38.84 1pg7 n ASN 31 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1pg7 n TYR 32 N -0.98 -1.34 -1.15 3.10 4.02 -0.92 0.01 117.16 119.91 1pg7 n TYR 32 Ca 0.14 0.69 -0.45 0.00 -0.01 0.00 0.00 57.90 58.27 1pg7 n TYR 32 Cb 0.27 -2.55 -0.06 0.00 -0.02 0.00 0.00 39.34 36.98 1pg7 n TYR 32 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1pg7 n ALA 33 N -4.33 -2.93 -2.92 -0.72 0.00 -1.26 -4.13 120.51 104.23 1pg7 n ALA 33 Ca -0.08 0.46 -0.22 0.00 0.00 0.00 0.00 53.44 53.59 1pg7 n ALA 33 Cb 0.57 -1.35 -0.16 0.00 0.00 0.00 0.00 19.45 18.51 1pg7 n ALA 33 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1pg7 s ASN 34 N 0.00 1.56 -0.09 0.00 3.84 -0.34 -1.11 114.94 118.79 1pg7 s ASN 34 Ca 0.70 -0.25 0.04 0.00 0.21 0.00 0.00 52.86 53.56 1pg7 s ASN 34 Cb -0.98 -0.38 0.00 0.00 -0.55 0.00 0.00 41.25 39.35 1pg7 s ASN 34 CO 0.44 0.11 -0.22 0.26 -2.79 0.00 0.00 177.10 174.90 1pg7 s TRP 35 N 0.06 2.34 -0.04 0.43 0.52 0.01 -0.79 118.94 121.48 1pg7 s TRP 35 Ca -0.02 -0.95 0.05 0.00 0.02 0.00 0.00 56.10 55.20 1pg7 s TRP 35 Cb -0.09 -1.58 -0.01 0.00 -1.15 0.00 0.00 33.47 30.64 1pg7 s TRP 35 CO 0.01 -0.39 -0.18 0.08 0.02 0.00 0.00 176.95 176.49 1pg7 s VAL 36 N 0.40 1.49 -0.27 4.03 1.01 0.88 0.01 120.40 127.94 1pg7 s VAL 36 Ca -0.18 -0.76 -0.11 0.00 0.00 0.00 0.00 61.98 60.93 1pg7 s VAL 36 Cb -0.18 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.89 1pg7 s VAL 36 CO 0.08 0.43 0.18 -1.58 0.00 0.00 0.00 175.10 174.20 1pg7 s GLN 37 N -0.06 3.96 -0.43 2.72 0.74 0.26 0.17 119.66 127.01 1pg7 s GLN 37 Ca -0.02 -0.32 -0.10 0.00 0.05 0.00 0.00 55.36 54.98 1pg7 s GLN 37 Cb -0.11 -3.61 0.08 0.00 1.10 0.00 0.00 33.01 30.47 1pg7 s GLN 37 CO 0.02 -0.13 0.28 -2.00 -0.55 0.00 0.00 175.29 172.91 1pg7 s GLU 38 N 1.60 2.62 0.50 1.67 2.12 0.15 -1.59 118.70 125.76 1pg7 s GLU 38 Ca 0.07 -1.49 -0.03 0.00 0.36 0.00 0.00 54.97 53.88 1pg7 s GLU 38 Cb -0.15 -3.83 -0.01 0.00 0.26 0.00 0.00 34.13 30.40 1pg7 s GLU 38 CO 0.09 -0.99 0.77 0.15 -0.54 0.00 0.00 175.26 174.74 1pg7 s LYS 39 N 1.43 3.11 0.31 4.30 1.02 -0.58 -1.82 119.74 127.51 1pg7 s LYS 39 Ca 0.03 -0.20 -0.28 0.00 0.02 0.00 0.00 55.97 55.55 1pg7 s LYS 39 Cb -0.24 -2.43 -0.13 0.00 -0.52 0.00 0.00 37.83 34.51 1pg7 s LYS 39 CO 0.02 -0.39 1.14 -2.30 -0.92 0.00 0.00 175.35 172.90 1pg7 n PRO 40 N -2.27 1.68 -1.02 -1.68 -0.02 -1.26 -2.43 135.00 128.00 1pg7 n PRO 40 Ca 0.02 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1pg7 n PRO 40 Cb 0.57 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1pg7 n PRO 40 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1pg7 n ASP 41 N 1.10 -0.89 -3.70 2.55 8.00 -1.26 -4.41 116.55 117.94 1pg7 n ASP 41 Ca 0.08 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.35 1pg7 n ASP 41 Cb 0.33 -0.29 0.03 0.00 -0.02 0.00 0.00 41.12 41.17 1pg7 n ASP 41 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1pg7 n HIS 42 N -2.71 -1.91 -3.65 1.24 8.25 -1.16 -4.98 115.22 110.29 1pg7 n HIS 42 Ca 0.00 0.76 -0.39 0.00 -0.26 0.00 0.00 57.72 57.82 1pg7 n HIS 42 Cb 0.22 -4.11 -0.10 0.00 1.12 0.00 0.00 29.99 27.11 1pg7 n HIS 42 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1pg7 s LEU 43 N -6.58 5.17 0.12 2.41 1.43 -1.02 -4.97 118.68 115.23 1pg7 s LEU 43 Ca 0.12 -1.65 -0.13 0.00 -1.03 0.00 0.00 54.13 51.44 1pg7 s LEU 43 Cb -0.04 -1.94 -0.07 0.00 0.03 0.00 0.00 46.19 44.18 1pg7 s LEU 43 CO 0.83 -0.54 0.50 -0.36 0.23 0.00 0.00 176.35 177.00 1pg7 s PHE 44 N 1.35 3.62 -0.16 0.29 0.40 -1.26 -1.52 117.98 120.70 1pg7 s PHE 44 Ca 0.04 0.99 -0.08 0.00 -0.60 0.00 0.00 56.93 57.28 1pg7 s PHE 44 Cb -0.23 -2.31 0.06 0.00 0.51 0.00 0.00 43.02 41.04 1pg7 s PHE 44 CO 0.00 0.47 0.37 0.99 0.70 0.00 0.00 175.22 177.76 1pg7 s THR 45 N -1.41 -0.06 0.40 0.64 2.01 -0.62 -4.99 115.64 111.61 1pg7 s THR 45 Ca 0.35 0.11 -0.26 0.00 0.31 0.00 0.00 61.69 62.20 1pg7 s THR 45 Cb -0.15 -0.56 -0.09 0.00 0.01 0.00 0.00 72.50 71.71 1pg7 s THR 45 CO 0.18 0.05 1.27 -0.83 -0.69 0.00 0.00 174.62 174.60 1pg7 s GLY 46 N 1.43 2.92 -0.04 4.40 0.00 -1.26 -0.57 107.32 114.20 1pg7 s GLY 46 Ca -0.09 1.17 -0.06 0.00 0.00 0.00 0.00 44.72 45.73 1pg7 s GLY 46 CO -0.12 1.74 -0.14 -0.62 0.00 0.00 0.00 173.10 173.96 1pg7 n VAL 47 N 0.16 1.10 -4.48 1.40 0.31 0.10 -4.81 118.33 112.10 1pg7 n VAL 47 Ca 0.04 0.15 -0.21 0.00 -0.01 0.00 0.00 64.34 64.31 1pg7 n VAL 47 Cb 0.44 -1.81 -0.14 0.00 -0.91 0.00 0.00 33.84 31.42 1pg7 n VAL 47 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1pg7 s ILE 48 N -2.30 1.10 0.08 2.52 -1.09 -1.05 -1.54 121.20 118.92 1pg7 s ILE 48 Ca -0.13 -0.80 0.01 0.00 -2.23 0.00 0.00 60.65 57.50 1pg7 s ILE 48 Cb 0.03 -0.96 -0.04 0.00 -1.58 0.00 0.00 42.46 39.91 1pg7 s ILE 48 CO 0.17 0.15 -0.06 -0.83 -1.23 0.00 0.00 174.94 173.14 1pg7 s GLY 49 N -0.75 0.67 -1.38 6.18 0.00 0.15 -0.81 107.32 111.38 1pg7 s GLY 49 Ca 0.03 -1.23 -0.07 0.00 0.00 0.00 0.00 44.72 43.45 1pg7 s GLY 49 CO 0.00 -1.33 0.97 0.61 0.00 0.00 0.00 173.10 173.35 1pg7 n GLY 50 N 0.22 -0.44 5.00 0.20 0.00 -1.14 -1.22 105.19 107.81 1pg7 n GLY 50 Ca -0.14 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1pg7 n GLY 50 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1pg7 n THR 51 N -4.58 0.00 -2.33 2.61 -1.04 -0.27 -4.02 114.28 104.65 1pg7 n THR 51 Ca -0.11 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 61.93 1pg7 n THR 51 Cb 0.60 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.12 1pg7 n THR 51 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1pg7 n ASN 52 N 1.66 0.62 -4.48 8.00 2.04 -1.23 -3.16 115.26 118.70 1pg7 n ASN 52 Ca 0.00 -1.98 -0.36 0.00 -0.44 0.00 0.00 54.58 51.80 1pg7 n ASN 52 Cb 0.00 -0.24 -0.12 0.00 -2.53 0.00 0.00 39.78 36.89 1pg7 n ASN 52 CO 0.00 0.00 0.00 0.20 -0.44 0.00 0.00 177.26 177.02 1pg7 s ASN 53 N -1.64 5.24 0.06 0.53 0.01 -0.36 -4.61 114.94 114.16 1pg7 s ASN 53 Ca 0.22 -0.15 -0.31 0.00 -0.71 0.00 0.00 52.86 51.91 1pg7 s ASN 53 Cb 0.26 -1.93 -0.06 0.00 0.41 0.00 0.00 41.25 39.93 1pg7 s ASN 53 CO -0.11 0.00 1.23 -0.60 -1.51 0.00 0.00 177.10 176.11 1pg7 s ARG 54 N 1.41 4.40 0.39 -0.60 3.52 -1.26 -0.68 118.95 126.13 1pg7 s ARG 54 Ca 0.05 1.81 -0.26 0.00 -0.13 0.00 0.00 55.73 57.20 1pg7 s ARG 54 Cb -0.15 -3.36 -0.09 0.00 -1.56 0.00 0.00 34.95 29.79 1pg7 s ARG 54 CO 0.04 -0.31 1.27 0.00 -0.81 0.00 0.00 175.30 175.49 1pg7 s ALA 55 N 1.22 3.29 0.20 6.12 0.00 -0.59 -4.92 121.76 127.08 1pg7 s ALA 55 Ca 0.59 1.17 -0.32 0.00 0.00 0.00 0.00 51.96 53.41 1pg7 s ALA 55 Cb -0.30 -3.46 -0.15 0.00 0.00 0.00 0.00 23.12 19.21 1pg7 s ALA 55 CO 0.29 -0.71 1.29 -2.30 0.00 0.00 0.00 175.76 174.33 1pg7 n PRO 56 N 0.27 1.58 0.00 0.00 -0.02 -1.26 -1.73 135.00 133.84 1pg7 n PRO 56 Ca 0.03 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1pg7 n PRO 56 Cb 0.44 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1pg7 n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pg7 n GLY 57 N 2.16 3.01 3.72 -1.23 0.00 -1.26 -5.05 105.19 106.54 1pg7 n GLY 57 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1pg7 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pg7 s VAL 58 N -2.95 3.35 0.43 1.61 1.01 -0.70 -4.98 120.40 118.16 1pg7 s VAL 58 Ca 0.00 1.01 -0.24 0.00 0.00 0.00 0.00 61.98 62.75 1pg7 s VAL 58 Cb 0.00 -3.64 -0.10 0.00 0.00 0.00 0.00 36.38 32.63 1pg7 s VAL 58 CO 0.00 0.10 0.99 -2.65 0.00 0.00 0.00 175.10 173.54 1pg7 n PRO 59 N 3.58 1.31 0.13 2.72 -0.02 -1.26 -4.88 135.00 136.58 1pg7 n PRO 59 Ca 0.10 0.47 0.09 0.00 -2.02 0.00 0.00 63.50 62.14 1pg7 n PRO 59 Cb 0.43 -2.03 0.48 0.00 -0.02 0.00 0.00 33.50 32.36 1pg7 n PRO 59 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pg7 n ALA 60 N -0.55 1.16 0.45 3.55 0.00 -1.26 -2.22 120.51 121.63 1pg7 n ALA 60 Ca 0.10 0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.80 1pg7 n ALA 60 Cb 0.39 -1.28 0.48 0.00 0.00 0.00 0.00 19.45 19.04 1pg7 n ALA 60 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1pg7 n ARG 61 N -2.12 0.21 -3.67 0.00 1.85 -1.26 -4.68 116.66 106.99 1pg7 n ARG 61 Ca -0.01 0.38 -0.37 0.00 -1.00 0.00 0.00 57.85 56.85 1pg7 n ARG 61 Cb 0.06 -1.86 -0.06 0.00 -1.05 0.00 0.00 32.46 29.55 1pg7 n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1pg7 s PHE 62 N -3.27 3.66 -0.01 2.89 0.08 -0.94 -0.59 117.98 119.79 1pg7 s PHE 62 Ca 0.06 0.76 -0.28 0.00 0.12 0.00 0.00 56.93 57.59 1pg7 s PHE 62 Cb 0.10 -2.14 0.07 0.00 -0.57 0.00 0.00 43.02 40.48 1pg7 s PHE 62 CO 0.44 0.66 0.64 -1.54 -0.10 0.00 0.00 175.22 175.31 1pg7 s SER 63 N -0.96 -0.60 0.22 1.36 1.04 -0.75 -4.93 113.70 109.08 1pg7 s SER 63 Ca 0.19 0.54 0.09 0.00 0.48 0.00 0.00 55.95 57.25 1pg7 s SER 63 Cb -0.14 0.53 -0.05 0.00 0.10 0.00 0.00 66.02 66.46 1pg7 s SER 63 CO 0.09 -0.66 -0.16 -0.83 0.98 0.00 0.00 173.24 172.66 1pg7 s GLY 64 N -1.47 1.54 0.03 7.32 0.00 -1.26 -0.09 107.32 113.39 1pg7 s GLY 64 Ca -0.09 -1.71 -0.12 0.00 0.00 0.00 0.00 44.72 42.81 1pg7 s GLY 64 CO 0.06 -1.80 0.54 -1.14 0.00 0.00 0.00 173.10 170.75 1pg7 n SER 65 N -0.41 -0.65 -4.21 1.64 3.41 -0.04 -4.38 113.62 108.98 1pg7 n SER 65 Ca -0.07 -1.24 -0.34 0.00 -0.26 0.00 0.00 58.87 56.96 1pg7 n SER 65 Cb 0.60 1.03 -0.15 0.00 -0.26 0.00 0.00 64.21 65.43 1pg7 n SER 65 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1pg7 s LEU 66 N 0.00 2.46 -0.21 1.04 1.43 -1.26 0.12 118.68 122.27 1pg7 s LEU 66 Ca 0.12 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1pg7 s LEU 66 Cb -0.01 -1.59 0.05 0.00 0.03 0.00 0.00 46.19 44.67 1pg7 s LEU 66 CO 0.01 0.01 -0.08 -0.63 0.23 0.00 0.00 176.35 175.89 1pg7 s ILE 67 N 1.28 1.53 0.00 -0.59 1.01 -0.66 -4.98 121.20 118.80 1pg7 s ILE 67 Ca 0.04 -1.03 0.00 0.00 0.00 0.00 0.00 60.65 59.65 1pg7 s ILE 67 Cb -0.14 -1.69 0.00 0.00 0.01 0.00 0.00 42.46 40.64 1pg7 s ILE 67 CO -0.07 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.54 1pg7 n GLY 68 N 4.70 1.34 1.75 6.18 0.00 -1.26 -2.77 105.19 115.13 1pg7 n GLY 68 Ca -0.13 -0.63 -0.15 0.00 0.00 0.00 0.00 46.02 45.10 1pg7 n GLY 68 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pg7 n ASP 69 N 4.36 3.24 -4.17 1.61 5.68 -1.26 -4.90 116.55 121.11 1pg7 n ASP 69 Ca 0.00 -3.70 -0.15 0.00 -0.50 0.00 0.00 54.79 50.43 1pg7 n ASP 69 Cb 0.00 -0.75 -0.11 0.00 -1.14 0.00 0.00 41.12 39.12 1pg7 n ASP 69 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1pg7 s LYS 70 N -3.30 0.82 0.33 0.11 1.02 -1.12 -1.27 119.74 116.34 1pg7 s LYS 70 Ca 0.51 -1.08 -0.12 0.00 0.02 0.00 0.00 55.97 55.30 1pg7 s LYS 70 Cb 0.45 -0.60 -0.08 0.00 -0.52 0.00 0.00 37.83 37.08 1pg7 s LYS 70 CO 0.05 0.11 0.70 0.00 -0.92 0.00 0.00 175.35 175.29 1pg7 s ALA 71 N -2.07 3.40 -0.00 5.17 0.00 -0.66 -1.65 121.76 125.94 1pg7 s ALA 71 Ca 0.03 -0.14 -0.08 0.00 0.00 0.00 0.00 51.96 51.77 1pg7 s ALA 71 Cb -0.05 -2.65 0.00 0.00 0.00 0.00 0.00 23.12 20.42 1pg7 s ALA 71 CO 0.01 0.25 0.16 0.00 0.00 0.00 0.00 175.76 176.17 1pg7 s ALA 72 N -2.09 -0.38 -0.22 0.00 0.00 0.12 -0.52 121.76 118.67 1pg7 s ALA 72 Ca 0.51 -0.05 -0.00 0.00 0.00 0.00 0.00 51.96 52.42 1pg7 s ALA 72 Cb -0.10 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.12 1pg7 s ALA 72 CO 0.23 -0.21 -0.12 -1.17 0.00 0.00 0.00 175.76 174.50 1pg7 s LEU 73 N -1.28 2.75 -0.13 0.00 2.96 -0.47 -0.86 118.68 121.64 1pg7 s LEU 73 Ca -0.14 -0.79 -0.03 0.00 -0.22 0.00 0.00 54.13 52.95 1pg7 s LEU 73 Cb -0.07 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 1pg7 s LEU 73 CO 0.02 -0.07 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.07 1pg7 s THR 74 N 1.30 4.10 -0.29 3.68 2.01 0.87 -1.52 115.64 125.80 1pg7 s THR 74 Ca 0.02 -0.30 -0.01 0.00 0.31 0.00 0.00 61.69 61.71 1pg7 s THR 74 Cb -0.15 -2.78 0.05 0.00 0.01 0.00 0.00 72.50 69.63 1pg7 s THR 74 CO -0.08 0.53 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.71 1pg7 s ILE 75 N -0.05 2.77 -0.80 1.82 1.01 0.11 -1.81 121.20 124.24 1pg7 s ILE 75 Ca 0.03 -1.43 -0.17 0.00 0.00 0.00 0.00 60.65 59.07 1pg7 s ILE 75 Cb -0.13 -2.59 0.15 0.00 0.01 0.00 0.00 42.46 39.90 1pg7 s ILE 75 CO 0.02 -0.07 0.90 -0.89 0.00 0.00 0.00 174.94 174.90 1pg7 s THR 76 N 1.22 5.03 0.00 2.92 2.01 0.24 -1.12 115.64 125.94 1pg7 s THR 76 Ca -0.06 -1.69 0.00 0.00 0.31 0.00 0.00 61.69 60.25 1pg7 s THR 76 Cb -0.20 -4.60 0.00 0.00 0.01 0.00 0.00 72.50 67.71 1pg7 s THR 76 CO -0.02 -1.25 0.00 0.61 -0.69 0.00 0.00 174.62 173.26 1pg7 n GLY 77 N 4.94 0.78 3.65 4.40 0.00 -0.22 -4.75 105.19 113.99 1pg7 n GLY 77 Ca 0.11 -0.52 -0.55 0.00 0.00 0.00 0.00 46.02 45.07 1pg7 n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pg7 n ALA 78 N -0.33 -0.54 -2.07 4.61 0.00 0.12 -4.53 120.51 117.77 1pg7 n ALA 78 Ca 0.00 0.45 -0.18 0.00 0.00 0.00 0.00 53.44 53.71 1pg7 n ALA 78 Cb 0.12 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.41 1pg7 n ALA 78 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1pg7 s GLN 79 N 2.07 2.79 0.25 0.00 -1.52 -1.26 -1.52 119.66 120.46 1pg7 s GLN 79 Ca 0.91 -1.28 -0.03 0.00 -1.95 0.00 0.00 55.36 53.01 1pg7 s GLN 79 Cb -1.01 -2.69 0.30 0.00 -0.22 0.00 0.00 33.01 29.39 1pg7 s GLN 79 CO 0.56 -0.24 1.76 1.15 -0.25 0.00 0.00 175.29 178.27 1pg7 h THR 80 N 0.73 1.24 -0.00 -0.19 2.02 -1.94 -2.47 112.91 112.30 1pg7 h THR 80 Ca -0.41 -0.99 0.00 0.00 0.77 0.00 0.00 66.41 65.79 1pg7 h THR 80 Cb 1.28 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 68.49 1pg7 h THR 80 CO 0.48 0.35 0.10 -0.33 0.37 0.00 0.00 175.52 176.49 1pg7 h GLU 81 N 0.80 0.00 -0.00 6.66 4.39 -1.95 -1.84 114.58 122.64 1pg7 h GLU 81 Ca 0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1pg7 h GLU 81 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1pg7 h GLU 81 CO 0.02 0.00 -0.03 -0.25 -1.16 0.00 0.00 179.01 177.58 1pg7 n ASP 82 N -3.05 0.18 -4.68 1.42 8.00 -0.93 -4.84 116.55 112.65 1pg7 n ASP 82 Ca -0.03 -0.51 -0.42 0.00 0.71 0.00 0.00 54.79 54.54 1pg7 n ASP 82 Cb 0.17 -0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.09 1pg7 n ASP 82 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1pg7 s GLU 83 N -2.39 4.22 -0.02 -1.24 2.12 -0.69 -4.89 118.70 115.80 1pg7 s GLU 83 Ca 0.33 2.18 -0.16 0.00 0.36 0.00 0.00 54.97 57.68 1pg7 s GLU 83 Cb 0.21 -3.72 0.05 0.00 0.26 0.00 0.00 34.13 30.94 1pg7 s GLU 83 CO 0.44 -0.73 0.74 0.00 -0.54 0.00 0.00 175.26 175.18 1pg7 n ALA 84 N 6.03 -2.11 -2.85 6.30 0.00 -1.03 -4.88 120.51 121.97 1pg7 n ALA 84 Ca 0.15 -0.45 -0.34 0.00 0.00 0.00 0.00 53.44 52.80 1pg7 n ALA 84 Cb 0.42 0.06 -0.10 0.00 0.00 0.00 0.00 19.45 19.83 1pg7 n ALA 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1pg7 s ILE 85 N -2.06 4.64 -0.23 0.00 1.01 -0.76 0.01 121.20 123.82 1pg7 s ILE 85 Ca 0.18 -0.08 -0.04 0.00 0.00 0.00 0.00 60.65 60.70 1pg7 s ILE 85 Cb -0.00 -3.09 -0.01 0.00 0.01 0.00 0.00 42.46 39.37 1pg7 s ILE 85 CO -0.01 0.46 -0.03 -0.31 0.00 0.00 0.00 174.94 175.05 1pg7 s TYR 86 N 0.43 2.98 -0.03 3.97 1.51 0.43 0.34 117.35 126.97 1pg7 s TYR 86 Ca 0.02 -0.92 -0.02 0.00 -1.01 0.00 0.00 57.07 55.14 1pg7 s TYR 86 Cb -0.13 -2.12 -0.04 0.00 -0.11 0.00 0.00 41.96 39.57 1pg7 s TYR 86 CO 0.01 -0.54 0.10 -0.06 -1.11 0.00 0.00 175.55 173.94 1pg7 s PHE 87 N 1.49 3.36 0.04 2.71 0.08 0.13 -0.80 117.98 124.99 1pg7 s PHE 87 Ca 0.06 0.28 0.04 0.00 0.12 0.00 0.00 56.93 57.43 1pg7 s PHE 87 Cb -0.14 -1.79 -0.04 0.00 -0.57 0.00 0.00 43.02 40.48 1pg7 s PHE 87 CO -0.03 0.59 -0.06 0.00 -0.10 0.00 0.00 175.22 175.62 1pg7 s ALA 89 N -1.09 -0.08 0.03 0.00 0.00 0.03 -0.40 121.76 120.26 1pg7 s ALA 89 Ca 0.19 0.33 0.09 0.00 0.00 0.00 0.00 51.96 52.57 1pg7 s ALA 89 Cb -0.11 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 1pg7 s ALA 89 CO 0.10 -0.09 -0.26 -0.51 0.00 0.00 0.00 175.76 175.01 1pg7 s LEU 90 N 0.69 2.14 -0.21 0.00 1.43 -0.71 -1.20 118.68 120.81 1pg7 s LEU 90 Ca -0.06 -0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 52.38 1pg7 s LEU 90 Cb -0.08 -1.28 -0.05 0.00 0.03 0.00 0.00 46.19 44.81 1pg7 s LEU 90 CO -0.02 0.27 0.18 0.86 0.23 0.00 0.00 176.35 177.86 1pg7 s TRP 91 N -0.75 3.39 -0.70 0.29 -0.11 0.10 -1.62 118.94 119.53 1pg7 s TRP 91 Ca 0.11 0.35 0.05 0.00 1.22 0.00 0.00 56.10 57.83 1pg7 s TRP 91 Cb -0.10 -2.24 0.25 0.00 -1.50 0.00 0.00 33.47 29.88 1pg7 s TRP 91 CO 0.01 0.20 0.81 0.66 -4.62 0.00 0.00 176.95 174.00 1pg7 n TYR 92 N 3.82 3.50 0.00 5.86 4.01 -0.31 -4.07 117.16 129.98 1pg7 n TYR 92 Ca -0.15 -4.01 0.00 0.00 -0.16 0.00 0.00 57.90 53.58 1pg7 n TYR 92 Cb 0.52 -0.65 0.00 0.00 -0.31 0.00 0.00 39.34 38.90 1pg7 n TYR 92 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1pg7 n SER 93 N 1.01 0.00 0.00 7.72 7.64 -1.26 -3.77 113.62 124.96 1pg7 n SER 93 Ca 0.29 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.17 1pg7 n SER 93 Cb 0.40 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 1pg7 n SER 93 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1pg7 n ASN 94 N 1.62 0.18 -3.50 6.43 0.23 -1.26 -5.11 115.26 113.85 1pg7 n ASN 94 Ca 0.00 -1.08 -0.10 0.00 -0.53 0.00 0.00 54.58 52.87 1pg7 n ASN 94 Cb 0.00 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 37.68 1pg7 n ASN 94 CO 0.00 0.00 0.00 -1.38 -0.93 0.00 0.00 177.26 174.95 1pg7 s HIS 95 N -0.08 -0.44 0.04 -2.53 -3.43 -1.25 -5.16 115.29 102.44 1pg7 s HIS 95 Ca 0.00 0.21 0.02 0.00 -0.80 0.00 0.00 55.06 54.49 1pg7 s HIS 95 Cb 0.00 0.58 -0.04 0.00 -1.43 0.00 0.00 32.58 31.69 1pg7 s HIS 95 CO 0.00 -0.84 0.09 -1.58 -2.00 0.00 0.00 174.74 170.41 1pg7 s TRP 96 N -3.63 3.24 -0.06 0.38 0.52 -1.26 -1.16 118.94 116.97 1pg7 s TRP 96 Ca 0.03 0.14 0.01 0.00 0.02 0.00 0.00 56.10 56.30 1pg7 s TRP 96 Cb -0.02 -1.67 0.02 0.00 -1.15 0.00 0.00 33.47 30.65 1pg7 s TRP 96 CO -0.09 0.53 -0.06 0.08 0.02 0.00 0.00 176.95 177.44 1pg7 s VAL 97 N -1.31 0.71 0.26 4.03 1.01 -0.64 -4.99 120.40 119.46 1pg7 s VAL 97 Ca 0.27 -0.18 -0.06 0.00 0.00 0.00 0.00 61.98 62.01 1pg7 s VAL 97 Cb -0.12 -0.73 -0.06 0.00 0.00 0.00 0.00 36.38 35.47 1pg7 s VAL 97 CO 0.19 0.28 0.53 -0.36 0.00 0.00 0.00 175.10 175.74 1pg7 s PHE 98 N 1.17 3.46 0.59 5.22 0.40 -1.26 -1.75 117.98 125.81 1pg7 s PHE 98 Ca -0.07 0.68 -0.04 0.00 -0.60 0.00 0.00 56.93 56.91 1pg7 s PHE 98 Cb -0.14 -2.13 0.02 0.00 0.51 0.00 0.00 43.02 41.29 1pg7 s PHE 98 CO -0.01 0.22 0.87 0.20 0.70 0.00 0.00 175.22 177.20 1pg7 s GLY 99 N -2.91 1.66 0.00 4.36 0.00 0.47 -4.41 107.32 106.49 1pg7 s GLY 99 Ca 0.44 -0.92 0.08 0.00 0.00 0.00 0.00 44.72 44.32 1pg7 s GLY 99 CO 0.27 -0.63 1.19 0.61 0.00 0.00 0.00 173.10 174.54 1pg7 n GLY 100 N -2.54 -0.66 0.00 0.20 0.00 -1.22 -4.60 105.19 96.38 1pg7 n GLY 100 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1pg7 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pg7 n GLY 101 N -0.62 -1.28 2.94 -0.02 0.00 -1.26 -5.00 105.19 99.95 1pg7 n GLY 101 Ca 0.03 -1.50 -0.28 0.00 0.00 0.00 0.00 46.02 44.28 1pg7 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pg7 s THR 102 N -3.22 1.18 -0.25 2.61 2.01 0.02 -4.54 115.64 113.44 1pg7 s THR 102 Ca 0.00 -0.39 -0.25 0.00 0.31 0.00 0.00 61.69 61.36 1pg7 s THR 102 Cb 0.00 -1.16 -0.00 0.00 0.01 0.00 0.00 72.50 71.35 1pg7 s THR 102 CO 0.00 0.39 0.85 -0.75 -0.69 0.00 0.00 174.62 174.43 1pg7 s LYS 103 N 1.60 4.15 -0.20 4.92 2.20 -0.83 -0.43 119.74 131.15 1pg7 s LYS 103 Ca 0.04 0.94 -0.07 0.00 -0.36 0.00 0.00 55.97 56.52 1pg7 s LYS 103 Cb -0.13 -3.66 -0.04 0.00 -1.51 0.00 0.00 37.83 32.50 1pg7 s LYS 103 CO -0.08 -0.57 0.06 -1.17 -0.36 0.00 0.00 175.35 173.22 1pg7 s LEU 104 N 2.93 3.63 -0.18 5.43 2.96 0.10 -1.09 118.68 132.47 1pg7 s LEU 104 Ca 0.36 -0.04 -0.06 0.00 -0.22 0.00 0.00 54.13 54.17 1pg7 s LEU 104 Cb -0.15 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 1pg7 s LEU 104 CO 0.08 0.10 0.02 -0.89 -1.32 0.00 0.00 176.35 174.35 1pg7 s THR 105 N 0.81 4.40 -0.51 3.68 2.01 0.11 -2.47 115.64 123.66 1pg7 s THR 105 Ca 0.03 -0.17 -0.01 0.00 0.31 0.00 0.00 61.69 61.84 1pg7 s THR 105 Cb -0.14 -2.97 0.13 0.00 0.01 0.00 0.00 72.50 69.54 1pg7 s THR 105 CO 0.02 0.46 0.30 -0.69 -0.69 0.00 0.00 174.62 174.03 1pg7 s VAL 106 N 0.49 3.31 -0.46 3.82 1.01 -1.26 -0.69 120.40 126.61 1pg7 s VAL 106 Ca 0.01 -2.64 -0.42 0.00 0.00 0.00 0.00 61.98 58.93 1pg7 s VAL 106 Cb -0.13 -3.23 -0.18 0.00 0.00 0.00 0.00 36.38 32.84 1pg7 s VAL 106 CO 0.02 -0.78 1.83 0.18 0.00 0.00 0.00 175.10 176.35 1pg7 n LEU 107 N 3.89 0.83 0.00 3.92 4.32 -0.49 -4.86 117.00 124.62 1pg7 n LEU 107 Ca 0.04 0.78 0.00 0.00 -0.02 0.00 0.00 56.01 56.81 1pg7 n LEU 107 Cb 0.39 -0.83 0.00 0.00 -1.62 0.00 0.00 43.42 41.36 1pg7 n LEU 107 CO 0.33 -0.74 0.39 0.61 -1.22 0.00 0.00 177.39 176.76 1pg7 n GLY 108 N 5.94 1.13 3.70 -0.72 0.00 -1.26 -4.39 105.19 109.60 1pg7 n GLY 108 Ca 0.44 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.40 1pg7 n GLY 108 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1pg7 s GLN 109 N -0.59 1.29 0.71 1.61 -2.07 -1.26 -5.16 119.66 114.19 1pg7 s GLN 109 Ca 0.00 -0.66 -0.16 0.00 -1.82 0.00 0.00 55.36 52.72 1pg7 s GLN 109 Cb 0.00 0.47 0.03 0.00 -1.09 0.00 0.00 33.01 32.42 1pg7 s GLN 109 CO 0.00 -0.58 1.22 -2.14 -1.32 0.00 0.00 175.29 172.46 1pg7 s PRO 110 N -3.46 2.23 0.69 9.60 0.02 -1.26 -4.96 135.00 137.86 1pg7 s PRO 110 Ca 0.10 1.80 -0.17 0.00 0.02 0.00 0.00 61.00 62.75 1pg7 s PRO 110 Cb -0.02 -1.84 0.02 0.00 0.02 0.00 0.00 34.50 32.67 1pg7 s PRO 110 CO -0.00 -1.77 1.26 0.15 -0.33 0.00 0.00 177.00 176.30 1pg7 s LYS 111 N -3.82 2.31 -0.09 5.54 -0.14 -1.26 -4.88 119.74 117.40 1pg7 s LYS 111 Ca 0.75 1.94 -0.04 0.00 -1.36 0.00 0.00 55.97 57.27 1pg7 s LYS 111 Cb -0.30 -1.83 0.05 0.00 -1.68 0.00 0.00 37.83 34.06 1pg7 s LYS 111 CO 0.44 -1.75 0.18 0.45 -0.76 0.00 0.00 175.35 173.91 1pg7 s SER 112 N -1.66 0.33 0.50 2.83 0.15 -0.26 -4.92 113.70 110.67 1pg7 s SER 112 Ca 0.79 0.39 -0.19 0.00 0.70 0.00 0.00 55.95 57.64 1pg7 s SER 112 Cb -0.34 0.34 -0.08 0.00 -1.71 0.00 0.00 66.02 64.23 1pg7 s SER 112 CO 0.42 -0.21 1.02 -0.44 1.20 0.00 0.00 173.24 175.23 1pg7 s SER 113 N 1.89 6.38 0.23 5.45 0.01 -1.26 -0.91 113.70 125.49 1pg7 s SER 113 Ca -0.02 1.81 -0.30 0.00 1.31 0.00 0.00 55.95 58.76 1pg7 s SER 113 Cb -0.12 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.48 1pg7 s SER 113 CO -0.07 -0.75 1.18 -2.16 0.41 0.00 0.00 173.24 171.86 1pg7 s PRO 114 N -3.50 4.52 -0.24 12.44 0.04 -1.26 -4.39 135.00 142.60 1pg7 s PRO 114 Ca 0.64 1.90 -0.20 0.00 0.04 0.00 0.00 61.00 63.38 1pg7 s PRO 114 Cb -0.14 -3.21 -0.02 0.00 0.04 0.00 0.00 34.50 31.17 1pg7 s PRO 114 CO 0.24 -0.02 0.59 -1.12 0.04 0.00 0.00 177.00 176.72 1pg7 s SER 115 N -0.21 6.57 -0.06 6.66 0.01 -0.12 -4.93 113.70 121.63 1pg7 s SER 115 Ca 0.50 0.69 0.02 0.00 1.31 0.00 0.00 55.95 58.47 1pg7 s SER 115 Cb -0.33 -2.32 -0.03 0.00 0.21 0.00 0.00 66.02 63.55 1pg7 s SER 115 CO 0.40 -0.30 -0.09 -0.69 0.41 0.00 0.00 173.24 172.96 1pg7 s VAL 116 N 2.21 3.50 -0.05 3.43 1.01 -1.26 -1.58 120.40 127.65 1pg7 s VAL 116 Ca 0.25 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 1pg7 s VAL 116 Cb -0.16 -2.41 0.04 0.00 0.00 0.00 0.00 36.38 33.85 1pg7 s VAL 116 CO 0.09 0.59 0.09 0.20 0.00 0.00 0.00 175.10 176.08 1pg7 s ASN 117 N -0.80 0.78 -0.15 3.32 0.01 -0.44 -4.94 114.94 112.72 1pg7 s ASN 117 Ca 0.12 0.17 -0.03 0.00 -0.71 0.00 0.00 52.86 52.40 1pg7 s ASN 117 Cb -0.11 0.02 -0.03 0.00 0.41 0.00 0.00 41.25 41.54 1pg7 s ASN 117 CO 0.01 -0.22 -0.04 -0.22 -1.51 0.00 0.00 177.10 175.12 1pg7 s LEU 118 N 1.97 3.27 -0.06 0.60 2.96 -1.26 0.17 118.68 126.34 1pg7 s LEU 118 Ca 0.01 -0.11 0.03 0.00 -0.22 0.00 0.00 54.13 53.84 1pg7 s LEU 118 Cb -0.12 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 1pg7 s LEU 118 CO -0.04 0.19 -0.13 -0.36 -1.32 0.00 0.00 176.35 174.68 1pg7 s PHE 119 N 0.25 2.74 0.75 5.38 0.08 0.39 -4.96 117.98 122.60 1pg7 s PHE 119 Ca -0.03 -0.22 -0.11 0.00 0.12 0.00 0.00 56.93 56.69 1pg7 s PHE 119 Cb -0.14 -1.67 0.05 0.00 -0.57 0.00 0.00 43.02 40.69 1pg7 s PHE 119 CO 0.03 0.13 1.12 -1.25 -0.10 0.00 0.00 175.22 175.15 1pg7 s PRO 120 N -0.56 2.43 0.39 0.24 0.04 -1.26 -1.96 135.00 134.32 1pg7 s PRO 120 Ca 0.08 0.24 -0.24 0.00 0.04 0.00 0.00 61.00 61.11 1pg7 s PRO 120 Cb -0.11 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 1pg7 s PRO 120 CO 0.01 -1.28 1.04 -1.25 0.04 0.00 0.00 177.00 175.57 1pg7 s PRO 121 N -5.43 4.21 0.64 0.56 0.04 -1.23 -4.77 135.00 129.02 1pg7 s PRO 121 Ca 0.60 1.51 -0.14 0.00 0.04 0.00 0.00 61.00 63.01 1pg7 s PRO 121 Cb -0.11 -2.58 -0.02 0.00 0.04 0.00 0.00 34.50 31.83 1pg7 s PRO 121 CO 0.50 -0.10 1.06 -1.54 0.04 0.00 0.00 177.00 176.96 1pg7 s SER 122 N -1.54 5.57 0.40 6.66 1.04 -1.26 -4.94 113.70 119.62 1pg7 s SER 122 Ca 0.57 1.75 0.13 0.00 0.48 0.00 0.00 55.95 58.87 1pg7 s SER 122 Cb -0.22 -2.52 0.81 0.00 0.10 0.00 0.00 66.02 64.19 1pg7 s SER 122 CO 0.28 -1.32 1.88 0.77 0.98 0.00 0.00 173.24 175.83 1pg7 h SER 123 N -0.06 0.02 0.01 7.02 4.64 -1.99 -2.30 113.55 120.88 1pg7 h SER 123 Ca -0.46 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1pg7 h SER 123 Cb 1.22 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1pg7 h SER 123 CO 0.57 0.32 -0.00 -0.33 -0.87 0.00 0.00 176.83 176.51 1pg7 h GLU 124 N 0.01 -0.01 -0.16 4.77 3.07 -2.00 -2.48 114.58 117.79 1pg7 h GLU 124 Ca -0.00 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 1pg7 h GLU 124 Cb 0.54 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.44 1pg7 h GLU 124 CO 0.04 0.07 -0.21 1.49 -1.40 0.00 0.00 179.01 178.99 1pg7 h GLU 125 N -0.08 0.27 0.00 2.33 4.81 -1.84 -2.24 114.58 117.84 1pg7 h GLU 125 Ca -0.00 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1pg7 h GLU 125 Cb 0.08 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 1pg7 h GLU 125 CO 0.00 0.48 -0.13 -0.07 -0.73 0.00 0.00 179.01 178.56 1pg7 h LEU 126 N 0.25 0.00 -2.53 1.64 3.38 -1.07 -0.13 115.31 116.85 1pg7 h LEU 126 Ca 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1pg7 h LEU 126 Cb 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1pg7 h LEU 126 CO 0.04 0.13 -0.02 0.11 0.09 0.00 0.00 178.44 178.79 1pg7 h LYS 127 N 0.00 0.00 -0.25 1.13 1.57 -0.96 0.28 116.57 118.35 1pg7 h LYS 127 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1pg7 h LYS 127 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1pg7 h LYS 127 CO 0.02 0.02 0.00 0.25 -0.57 0.00 0.00 179.45 179.16 1pg7 n THR 128 N -3.55 0.33 -1.67 -0.16 -2.24 -0.06 -4.89 114.28 102.03 1pg7 n THR 128 Ca -0.03 -0.37 -0.14 0.00 -2.27 0.00 0.00 64.05 61.24 1pg7 n THR 128 Cb 0.11 0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 68.53 1pg7 n THR 128 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1pg7 n LYS 129 N 0.32 -1.00 -4.26 -0.78 5.02 0.99 -5.00 118.16 113.46 1pg7 n LYS 129 Ca 0.13 0.88 -0.15 0.00 -2.02 0.00 0.00 58.31 57.15 1pg7 n LYS 129 Cb 0.28 -5.02 -0.10 0.00 -0.02 0.00 0.00 35.03 30.16 1pg7 n LYS 129 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1pg7 s LYS 130 N -3.65 1.07 -0.08 1.97 1.02 -1.24 -1.99 119.74 116.86 1pg7 s LYS 130 Ca 0.00 -1.43 -0.04 0.00 0.02 0.00 0.00 55.97 54.53 1pg7 s LYS 130 Cb 0.00 -0.71 0.04 0.00 -0.52 0.00 0.00 37.83 36.64 1pg7 s LYS 130 CO 0.00 0.10 0.17 0.00 -0.92 0.00 0.00 175.35 174.70 1pg7 s ALA 131 N -3.10 -0.36 -0.09 5.17 0.00 0.11 -3.50 121.76 119.99 1pg7 s ALA 131 Ca 0.16 0.75 0.02 0.00 0.00 0.00 0.00 51.96 52.89 1pg7 s ALA 131 Cb 0.01 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.66 1pg7 s ALA 131 CO 0.02 -0.16 -0.16 0.99 0.00 0.00 0.00 175.76 176.44 1pg7 s THR 132 N 1.08 1.51 -0.19 0.00 2.01 -1.26 -0.76 115.64 118.04 1pg7 s THR 132 Ca -0.08 -0.67 -0.11 0.00 0.31 0.00 0.00 61.69 61.14 1pg7 s THR 132 Cb -0.10 -1.36 -0.05 0.00 0.01 0.00 0.00 72.50 71.00 1pg7 s THR 132 CO -0.06 0.44 0.18 -0.76 -0.69 0.00 0.00 174.62 173.73 1pg7 s LEU 133 N 0.76 4.23 -0.18 4.42 1.43 -0.07 -3.55 118.68 125.72 1pg7 s LEU 133 Ca -0.11 0.32 -0.03 0.00 -1.03 0.00 0.00 54.13 53.28 1pg7 s LEU 133 Cb -0.16 -2.17 -0.01 0.00 0.03 0.00 0.00 46.19 43.88 1pg7 s LEU 133 CO 0.02 0.17 -0.07 -0.69 0.23 0.00 0.00 176.35 176.01 1pg7 s VAL 134 N 0.33 3.32 -0.34 -1.59 1.01 -0.83 -1.67 120.40 120.63 1pg7 s VAL 134 Ca 0.11 -0.54 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 1pg7 s VAL 134 Cb -0.12 -2.46 0.07 0.00 0.00 0.00 0.00 36.38 33.87 1pg7 s VAL 134 CO -0.00 0.47 0.07 0.00 0.00 0.00 0.00 175.10 175.64 1pg7 s THR 136 N 1.21 4.98 -0.21 0.00 -4.23 0.13 -1.38 115.64 116.14 1pg7 s THR 136 Ca -0.00 0.98 -0.01 0.00 -1.18 0.00 0.00 61.69 61.47 1pg7 s THR 136 Cb -0.21 -3.79 0.06 0.00 1.34 0.00 0.00 72.50 69.90 1pg7 s THR 136 CO -0.02 0.52 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.94 1pg7 s ILE 137 N -0.72 0.98 0.32 2.99 1.01 -0.39 -1.33 121.20 124.05 1pg7 s ILE 137 Ca 0.26 -0.82 0.04 0.00 0.00 0.00 0.00 60.65 60.13 1pg7 s ILE 137 Cb -0.17 -1.35 -0.06 0.00 0.01 0.00 0.00 42.46 40.88 1pg7 s ILE 137 CO 0.14 -0.13 0.06 0.42 0.00 0.00 0.00 174.94 175.44 1pg7 s THR 138 N 1.65 1.15 -1.37 2.92 -4.23 -0.62 0.24 115.64 115.38 1pg7 s THR 138 Ca -0.03 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.42 1pg7 s THR 138 Cb -0.18 -2.76 0.03 0.00 1.34 0.00 0.00 72.50 70.93 1pg7 s THR 138 CO -0.07 -0.02 0.90 -0.62 -0.54 0.00 0.00 174.62 174.27 1pg7 n GLU 139 N -0.66 -5.77 -4.93 3.99 4.71 -0.73 -0.94 120.64 116.31 1pg7 n GLU 139 Ca -0.02 0.67 -0.32 0.00 -0.01 0.00 0.00 57.16 57.48 1pg7 n GLU 139 Cb 0.66 -5.47 -0.14 0.00 -1.01 0.00 0.00 31.44 25.49 1pg7 n GLU 139 CO 0.00 0.00 0.00 -0.59 0.09 0.00 0.00 177.13 176.63 1pg7 s PHE 140 N -3.47 2.58 -0.20 -0.32 -0.71 -0.92 -4.28 117.98 110.67 1pg7 s PHE 140 Ca 0.29 -0.24 -0.11 0.00 -1.04 0.00 0.00 56.93 55.82 1pg7 s PHE 140 Cb -0.14 -1.56 0.06 0.00 -1.21 0.00 0.00 43.02 40.17 1pg7 s PHE 140 CO 0.80 0.15 0.48 -0.47 -1.34 0.00 0.00 175.22 174.84 1pg7 s TYR 141 N -0.75 -0.71 0.92 3.49 5.04 -0.08 -0.25 117.35 125.01 1pg7 s TYR 141 Ca 0.12 1.49 -0.11 0.00 -2.44 0.00 0.00 57.07 56.12 1pg7 s TYR 141 Cb -0.10 0.35 0.14 0.00 0.35 0.00 0.00 41.96 42.69 1pg7 s TYR 141 CO 0.01 -0.38 1.10 -1.25 -1.34 0.00 0.00 175.55 173.69 1pg7 s PRO 142 N 1.36 1.07 -1.24 4.97 0.04 -1.26 -1.10 135.00 138.84 1pg7 s PRO 142 Ca -0.09 1.09 -0.11 0.00 0.04 0.00 0.00 61.00 61.93 1pg7 s PRO 142 Cb -0.07 -1.77 -0.06 0.00 0.04 0.00 0.00 34.50 32.64 1pg7 s PRO 142 CO -0.13 -2.44 2.40 0.41 0.04 0.00 0.00 177.00 177.27 1pg7 n GLY 143 N -0.51 3.66 3.01 0.56 0.00 -1.26 -4.82 105.19 105.83 1pg7 n GLY 143 Ca 0.08 -1.27 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 1pg7 n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pg7 s ALA 144 N 3.18 -0.51 0.13 4.61 0.00 -1.26 -4.84 121.76 123.06 1pg7 s ALA 144 Ca 0.54 0.92 -0.11 0.00 0.00 0.00 0.00 51.96 53.31 1pg7 s ALA 144 Cb 0.14 -0.84 0.01 0.00 0.00 0.00 0.00 23.12 22.43 1pg7 s ALA 144 CO -0.03 -0.45 0.30 0.14 0.00 0.00 0.00 175.76 175.72 1pg7 s VAL 145 N 1.93 0.09 -0.04 0.00 -7.23 -1.26 -4.55 120.40 109.33 1pg7 s VAL 145 Ca -0.03 -1.06 0.04 0.00 -1.81 0.00 0.00 61.98 59.12 1pg7 s VAL 145 Cb -0.11 -1.48 -0.00 0.00 0.56 0.00 0.00 36.38 35.34 1pg7 s VAL 145 CO -0.08 -0.41 -0.16 -0.13 -0.31 0.00 0.00 175.10 174.01 1pg7 s ARG 146 N -3.88 1.70 -0.05 4.82 0.52 -0.66 -4.97 118.95 116.42 1pg7 s ARG 146 Ca 0.09 -0.58 0.02 0.00 -0.52 0.00 0.00 55.73 54.74 1pg7 s ARG 146 Cb 0.03 -1.49 -0.03 0.00 0.52 0.00 0.00 34.95 33.99 1pg7 s ARG 146 CO -0.07 0.24 -0.10 0.08 0.02 0.00 0.00 175.30 175.47 1pg7 s VAL 147 N 0.04 3.46 0.02 3.52 1.01 -1.26 -0.74 120.40 126.46 1pg7 s VAL 147 Ca -0.03 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1pg7 s VAL 147 Cb -0.11 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 1pg7 s VAL 147 CO 0.02 0.58 -0.04 -1.81 0.00 0.00 0.00 175.10 173.85 1pg7 s ASP 148 N -0.83 0.33 0.15 3.32 1.01 0.72 -4.98 116.67 116.39 1pg7 s ASP 148 Ca 0.12 -0.50 0.10 0.00 0.71 0.00 0.00 52.55 52.99 1pg7 s ASP 148 Cb -0.11 0.09 -0.04 0.00 1.01 0.00 0.00 42.92 43.87 1pg7 s ASP 148 CO 0.02 -0.28 -0.23 0.26 0.21 0.00 0.00 175.17 175.15 1pg7 s TRP 149 N -1.43 2.39 0.02 4.23 0.52 -1.26 0.54 118.94 123.94 1pg7 s TRP 149 Ca -0.15 -0.33 0.02 0.00 0.02 0.00 0.00 56.10 55.66 1pg7 s TRP 149 Cb -0.10 -1.25 -0.01 0.00 -1.15 0.00 0.00 33.47 30.96 1pg7 s TRP 149 CO -0.01 0.41 -0.07 0.15 0.02 0.00 0.00 176.95 177.45 1pg7 s LYS 150 N -2.30 0.48 -0.17 4.98 1.02 -0.58 -2.12 119.74 121.05 1pg7 s LYS 150 Ca 0.18 -0.48 -0.01 0.00 0.02 0.00 0.00 55.97 55.68 1pg7 s LYS 150 Cb -0.09 -0.35 0.04 0.00 -0.52 0.00 0.00 37.83 36.91 1pg7 s LYS 150 CO 0.09 0.08 -0.05 0.00 -0.92 0.00 0.00 175.35 174.55 1pg7 s ALA 151 N -0.76 1.47 -1.45 5.17 0.00 -0.17 -0.96 121.76 125.05 1pg7 s ALA 151 Ca -0.04 -0.84 -0.10 0.00 0.00 0.00 0.00 51.96 50.98 1pg7 s ALA 151 Cb -0.06 -1.14 0.06 0.00 0.00 0.00 0.00 23.12 21.98 1pg7 s ALA 151 CO 0.00 -0.82 0.75 -0.25 0.00 0.00 0.00 175.76 175.43 1pg7 n ASP 152 N 4.88 -4.82 0.00 0.00 8.00 0.13 -1.75 116.55 122.99 1pg7 n ASP 152 Ca -0.12 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 54.85 1pg7 n ASP 152 Cb 0.47 -3.89 0.00 0.00 -0.02 0.00 0.00 41.12 37.68 1pg7 n ASP 152 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pg7 n GLY 153 N -1.49 0.99 3.47 0.44 0.00 -1.26 -5.03 105.19 102.31 1pg7 n GLY 153 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1pg7 n GLY 153 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pg7 s THR 154 N -2.50 2.82 0.49 2.61 -4.23 -0.72 -5.10 115.64 109.02 1pg7 s THR 154 Ca 0.00 -1.32 -0.23 0.00 -1.18 0.00 0.00 61.69 58.97 1pg7 s THR 154 Cb 0.00 -2.23 -0.06 0.00 1.34 0.00 0.00 72.50 71.54 1pg7 s THR 154 CO 0.00 0.24 1.27 -2.84 -0.54 0.00 0.00 174.62 172.74 1pg7 s PRO 155 N -1.74 3.49 -0.10 3.99 0.02 -1.26 -1.00 135.00 138.39 1pg7 s PRO 155 Ca 0.16 2.02 -0.01 0.00 0.02 0.00 0.00 61.00 63.19 1pg7 s PRO 155 Cb -0.11 -2.37 -0.03 0.00 0.02 0.00 0.00 34.50 32.02 1pg7 s PRO 155 CO 0.07 -0.84 -0.05 0.14 -0.33 0.00 0.00 177.00 175.99 1pg7 s VAL 156 N -1.41 3.81 -0.41 3.83 -7.23 -0.90 -4.82 120.40 113.27 1pg7 s VAL 156 Ca 0.67 -0.42 0.07 0.00 -1.81 0.00 0.00 61.98 60.49 1pg7 s VAL 156 Cb -0.35 -2.60 -0.05 0.00 0.56 0.00 0.00 36.38 33.93 1pg7 s VAL 156 CO 0.42 0.56 0.35 0.35 -0.31 0.00 0.00 175.10 176.47 1pg7 n THR 157 N 2.74 0.00 -4.16 5.32 -2.24 -1.26 -4.64 114.28 110.04 1pg7 n THR 157 Ca -0.18 -0.36 -0.14 0.00 -2.27 0.00 0.00 64.05 61.10 1pg7 n THR 157 Cb 0.53 1.02 -0.11 0.00 -2.10 0.00 0.00 70.33 69.67 1pg7 n THR 157 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1pg7 s GLN 158 N -1.49 0.79 0.00 -0.78 -1.52 -1.26 -4.86 119.66 110.54 1pg7 s GLN 158 Ca 0.03 -1.10 0.00 0.00 -1.95 0.00 0.00 55.36 52.34 1pg7 s GLN 158 Cb 0.05 -0.48 0.00 0.00 -0.22 0.00 0.00 33.01 32.36 1pg7 s GLN 158 CO 0.25 0.07 0.00 0.41 -0.25 0.00 0.00 175.29 175.77 1pg7 n GLY 159 N 0.68 0.79 3.79 3.09 0.00 -1.26 -4.93 105.19 107.34 1pg7 n GLY 159 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 1pg7 n GLY 159 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1pg7 s ASP 160 N -2.70 5.60 -0.18 1.61 1.47 -1.26 -0.56 116.67 120.66 1pg7 s ASP 160 Ca 0.00 0.03 -0.09 0.00 1.18 0.00 0.00 52.55 53.67 1pg7 s ASP 160 Cb 0.00 -1.53 0.07 0.00 -0.34 0.00 0.00 42.92 41.12 1pg7 s ASP 160 CO 0.00 0.18 0.41 -0.70 0.68 0.00 0.00 175.17 175.75 1pg7 s GLU 161 N -2.33 0.37 -0.03 2.11 2.12 -0.64 -4.97 118.70 115.34 1pg7 s GLU 161 Ca 0.29 0.86 0.07 0.00 0.36 0.00 0.00 54.97 56.55 1pg7 s GLU 161 Cb -0.12 0.07 -0.02 0.00 0.26 0.00 0.00 34.13 34.33 1pg7 s GLU 161 CO 0.22 -0.19 -0.24 0.99 -0.54 0.00 0.00 175.26 175.50 1pg7 s THR 162 N 1.76 1.90 0.53 -1.70 2.01 -1.26 -0.01 115.64 118.87 1pg7 s THR 162 Ca -0.07 -1.01 -0.16 0.00 0.31 0.00 0.00 61.69 60.75 1pg7 s THR 162 Cb -0.09 -1.59 -0.07 0.00 0.01 0.00 0.00 72.50 70.76 1pg7 s THR 162 CO -0.13 0.54 1.00 0.42 -0.69 0.00 0.00 174.62 175.76 1pg7 s THR 163 N -0.43 4.37 0.17 -0.82 -4.23 0.79 -4.99 115.64 110.50 1pg7 s THR 163 Ca 0.05 1.15 -0.30 0.00 -1.18 0.00 0.00 61.69 61.41 1pg7 s THR 163 Cb -0.10 -3.64 -0.07 0.00 1.34 0.00 0.00 72.50 70.02 1pg7 s THR 163 CO 0.00 -0.64 1.07 -1.58 -0.54 0.00 0.00 174.62 172.93 1pg7 s GLN 164 N -4.05 4.63 0.28 3.99 2.00 -1.26 -4.50 119.66 120.75 1pg7 s GLN 164 Ca 0.60 1.66 -0.30 0.00 -2.00 0.00 0.00 55.36 55.32 1pg7 s GLN 164 Cb -0.11 -3.29 -0.13 0.00 0.80 0.00 0.00 33.01 30.27 1pg7 s GLN 164 CO 0.32 0.13 1.37 -2.30 -0.50 0.00 0.00 175.29 174.31 1pg7 n PRO 165 N 2.39 2.10 -4.20 1.67 -0.02 -1.26 -4.87 135.00 130.81 1pg7 n PRO 165 Ca 0.02 0.74 -0.19 0.00 -2.02 0.00 0.00 63.50 62.05 1pg7 n PRO 165 Cb 0.47 -2.38 -0.12 0.00 -0.02 0.00 0.00 33.50 31.45 1pg7 n PRO 165 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1pg7 s SER 166 N 0.08 1.85 0.05 2.55 1.04 -0.85 -4.96 113.70 113.46 1pg7 s SER 166 Ca 0.63 -0.63 -0.20 0.00 0.48 0.00 0.00 55.95 56.23 1pg7 s SER 166 Cb -0.61 -0.07 -0.06 0.00 0.10 0.00 0.00 66.02 65.38 1pg7 s SER 166 CO 0.54 -0.05 0.59 -1.59 0.98 0.00 0.00 173.24 173.71 1pg7 s LYS 167 N -1.77 4.26 0.46 4.02 -2.85 -1.26 -1.22 119.74 121.38 1pg7 s LYS 167 Ca -0.00 0.77 -0.06 0.00 -1.00 0.00 0.00 55.97 55.67 1pg7 s LYS 167 Cb -0.10 -3.27 0.10 0.00 -2.06 0.00 0.00 37.83 32.50 1pg7 s LYS 167 CO 0.03 0.55 0.63 0.00 0.10 0.00 0.00 175.35 176.65 1pg7 n GLN 168 N 2.05 -0.45 0.07 1.78 10.64 -0.38 -4.92 117.38 126.17 1pg7 n GLN 168 Ca -0.09 -1.10 0.01 0.00 -1.83 0.00 0.00 57.00 53.99 1pg7 n GLN 168 Cb 0.51 -0.61 0.33 0.00 -0.86 0.00 0.00 30.24 29.61 1pg7 n GLN 168 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1pg7 h SER 168 N -0.75 0.33 -0.16 2.61 4.64 -1.98 -2.64 113.55 115.61 1pg7 h SER 168 Ca -0.20 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1pg7 h SER 168 Cb 0.60 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1pg7 h SER 168 CO 0.16 0.49 0.00 -0.46 -0.87 0.00 0.00 176.83 176.15 1pg7 n ASN 168 N -4.24 1.67 0.00 4.97 0.23 -1.26 -4.88 115.26 111.75 1pg7 n ASN 168 Ca -0.00 -2.13 0.00 0.00 -0.53 0.00 0.00 54.58 51.92 1pg7 n ASN 168 Cb 0.30 -0.37 0.00 0.00 -2.08 0.00 0.00 39.78 37.63 1pg7 n ASN 168 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1pg7 n ASN 169 N 0.10 0.00 -2.90 0.53 3.02 -0.99 -5.01 115.26 110.01 1pg7 n ASN 169 Ca 0.07 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.48 1pg7 n ASN 169 Cb 0.35 -0.94 0.09 0.00 -0.61 0.00 0.00 39.78 38.66 1pg7 n ASN 169 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1pg7 n LYS 170 N -2.00 -0.57 -4.46 3.52 5.02 -1.26 -4.77 118.16 113.64 1pg7 n LYS 170 Ca 0.00 -0.97 -0.24 0.00 -2.02 0.00 0.00 58.31 55.07 1pg7 n LYS 170 Cb 0.00 -0.63 -0.10 0.00 -0.02 0.00 0.00 35.03 34.28 1pg7 n LYS 170 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1pg7 s TYR 171 N -2.31 2.31 0.08 2.13 1.51 0.66 -1.25 117.35 120.48 1pg7 s TYR 171 Ca 0.35 -0.33 0.03 0.00 -1.01 0.00 0.00 57.07 56.11 1pg7 s TYR 171 Cb -0.01 -1.02 -0.03 0.00 -0.11 0.00 0.00 41.96 40.79 1pg7 s TYR 171 CO 0.24 0.69 -0.09 0.00 -1.11 0.00 0.00 175.55 175.28 1pg7 s MET 172 N -3.42 0.76 0.27 -0.62 0.23 -0.36 -1.78 119.30 114.38 1pg7 s MET 172 Ca 0.29 -1.08 -0.21 0.00 -1.03 0.00 0.00 55.69 53.66 1pg7 s MET 172 Cb -0.05 -0.43 0.04 0.00 -1.53 0.00 0.00 34.83 32.86 1pg7 s MET 172 CO 0.15 0.06 0.81 0.00 -2.03 0.00 0.00 175.02 174.01 1pg7 s ALA 173 N -2.33 -1.25 -0.03 3.16 0.00 0.14 -2.01 121.76 119.44 1pg7 s ALA 173 Ca 0.02 -0.30 -0.17 0.00 0.00 0.00 0.00 51.96 51.51 1pg7 s ALA 173 Cb -0.04 0.76 0.03 0.00 0.00 0.00 0.00 23.12 23.88 1pg7 s ALA 173 CO -0.01 -1.03 0.38 -1.54 0.00 0.00 0.00 175.76 173.56 1pg7 s SER 174 N -2.99 -0.29 0.05 0.00 1.04 -1.26 -1.27 113.70 108.99 1pg7 s SER 174 Ca 0.13 0.26 0.04 0.00 0.48 0.00 0.00 55.95 56.85 1pg7 s SER 174 Cb -0.05 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.45 1pg7 s SER 174 CO 0.07 -0.45 -0.12 -0.55 0.98 0.00 0.00 173.24 173.17 1pg7 s SER 175 N -1.17 1.34 -0.04 7.02 0.15 -0.48 -0.15 113.70 120.37 1pg7 s SER 175 Ca -0.12 -0.56 0.04 0.00 0.70 0.00 0.00 55.95 56.02 1pg7 s SER 175 Cb -0.04 -0.02 -0.00 0.00 -1.71 0.00 0.00 66.02 64.24 1pg7 s SER 175 CO 0.05 -0.11 -0.17 -0.31 1.20 0.00 0.00 173.24 173.90 1pg7 s TYR 176 N -1.23 1.70 -0.25 3.44 2.02 0.99 -1.17 117.35 122.85 1pg7 s TYR 176 Ca -0.04 -0.47 -0.01 0.00 -0.37 0.00 0.00 57.07 56.18 1pg7 s TYR 176 Cb -0.09 -1.14 0.04 0.00 -0.40 0.00 0.00 41.96 40.36 1pg7 s TYR 176 CO 0.01 -0.15 -0.07 -1.17 -1.57 0.00 0.00 175.55 172.60 1pg7 s LEU 177 N -0.01 3.27 -0.30 -1.29 2.96 -0.67 -1.61 118.68 121.03 1pg7 s LEU 177 Ca -0.03 -1.03 -0.16 0.00 -0.22 0.00 0.00 54.13 52.70 1pg7 s LEU 177 Cb -0.11 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 1pg7 s LEU 177 CO 0.02 -0.15 0.40 -0.89 -1.32 0.00 0.00 176.35 174.40 1pg7 s THR 178 N 1.26 5.15 0.20 3.68 2.01 0.28 -0.89 115.64 127.33 1pg7 s THR 178 Ca -0.02 0.41 0.03 0.00 0.31 0.00 0.00 61.69 62.42 1pg7 s THR 178 Cb -0.18 -3.77 -0.05 0.00 0.01 0.00 0.00 72.50 68.51 1pg7 s THR 178 CO -0.05 0.04 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.14 1pg7 s LEU 179 N 2.11 2.23 0.54 4.42 1.43 0.06 -4.76 118.68 124.71 1pg7 s LEU 179 Ca 0.15 -1.18 -0.05 0.00 -1.03 0.00 0.00 54.13 52.02 1pg7 s LEU 179 Cb -0.16 -0.24 -0.01 0.00 0.03 0.00 0.00 46.19 45.82 1pg7 s LEU 179 CO 0.11 -0.49 0.84 0.42 0.23 0.00 0.00 176.35 177.45 1pg7 s THR 180 N -3.46 4.12 0.52 5.49 -4.23 -1.26 0.09 115.64 116.91 1pg7 s THR 180 Ca 0.26 0.01 0.19 0.00 -1.18 0.00 0.00 61.69 60.97 1pg7 s THR 180 Cb 0.05 -3.60 0.28 0.00 1.34 0.00 0.00 72.50 70.57 1pg7 s THR 180 CO 0.06 -0.58 2.15 0.00 -0.54 0.00 0.00 174.62 175.71 1pg7 h ALA 181 N 0.03 1.83 0.33 3.99 0.00 -1.60 -2.30 119.26 121.53 1pg7 h ALA 181 Ca -0.46 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1pg7 h ALA 181 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1pg7 h ALA 181 CO 0.61 0.04 -0.16 0.93 0.00 0.00 0.00 179.25 180.67 1pg7 h GLU 182 N 0.00 -0.42 -0.91 0.00 4.39 -1.93 -1.88 114.58 113.83 1pg7 h GLU 182 Ca -0.00 0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.77 1pg7 h GLU 182 Cb 0.06 0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.75 1pg7 h GLU 182 CO 0.00 -0.16 0.60 0.00 -1.16 0.00 0.00 179.01 178.29 1pg7 h ALA 183 N -0.03 1.45 -0.41 3.43 0.00 -1.87 -0.20 119.26 121.63 1pg7 h ALA 183 Ca -0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1pg7 h ALA 183 Cb 0.45 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1pg7 h ALA 183 CO 0.07 0.45 0.08 2.35 0.00 0.00 0.00 179.25 182.20 1pg7 h TRP 184 N 1.11 0.62 0.03 0.00 2.91 -1.25 -2.82 115.95 116.56 1pg7 h TRP 184 Ca 0.37 -0.05 -0.22 0.00 1.13 0.00 0.00 58.89 60.12 1pg7 h TRP 184 Cb 0.07 -0.19 -0.01 0.00 -0.51 0.00 0.00 29.16 28.52 1pg7 h TRP 184 CO -0.00 0.56 -0.98 0.93 -1.03 0.00 0.00 178.44 177.91 1pg7 h GLU 185 N 0.59 0.19 0.00 2.65 5.08 -0.41 -3.31 114.58 119.38 1pg7 h GLU 185 Ca 0.13 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1pg7 h GLU 185 Cb 0.26 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1pg7 h GLU 185 CO 0.00 1.03 -0.19 0.77 -1.00 0.00 0.00 179.01 179.62 1pg7 h SER 186 N 0.09 0.00 -2.19 1.42 0.02 -0.85 -3.45 113.55 108.59 1pg7 h SER 186 Ca -0.06 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.35 1pg7 h SER 186 Cb 1.65 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 64.12 1pg7 h SER 186 CO 0.15 0.19 -0.60 -1.00 -1.14 0.00 0.00 176.83 174.43 1pg7 s HIS 187 N -3.39 2.84 0.00 3.45 3.76 -1.09 -5.07 115.29 115.79 1pg7 s HIS 187 Ca 0.03 -0.19 0.00 0.00 -0.15 0.00 0.00 55.06 54.75 1pg7 s HIS 187 Cb 0.08 -1.28 0.00 0.00 1.11 0.00 0.00 32.58 32.49 1pg7 s HIS 187 CO 0.65 0.57 0.00 -1.13 -0.85 0.00 0.00 174.74 173.99 1pg7 n SER 188 N -1.01 4.03 -4.06 1.40 3.41 -1.26 -4.90 113.62 111.24 1pg7 n SER 188 Ca -0.07 -0.10 -0.25 0.00 -0.26 0.00 0.00 58.87 58.19 1pg7 n SER 188 Cb 0.59 1.00 -0.16 0.00 -0.26 0.00 0.00 64.21 65.37 1pg7 n SER 188 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1pg7 s SER 189 N -1.81 1.92 -0.04 4.04 0.15 -1.26 -4.14 113.70 112.57 1pg7 s SER 189 Ca 0.00 -0.33 0.03 0.00 0.70 0.00 0.00 55.95 56.36 1pg7 s SER 189 Cb 0.00 -0.83 0.00 0.00 -1.71 0.00 0.00 66.02 63.48 1pg7 s SER 189 CO 0.00 0.06 -0.12 -0.31 1.20 0.00 0.00 173.24 174.07 1pg7 s TYR 190 N 0.54 1.31 -0.00 3.44 2.02 -1.04 0.20 117.35 123.81 1pg7 s TYR 190 Ca -0.13 -0.38 0.05 0.00 -0.37 0.00 0.00 57.07 56.24 1pg7 s TYR 190 Cb -0.15 -0.92 -0.01 0.00 -0.40 0.00 0.00 41.96 40.48 1pg7 s TYR 190 CO 0.04 -0.15 -0.14 -1.12 -1.57 0.00 0.00 175.55 172.60 1pg7 s SER 191 N 0.22 1.70 -0.25 2.29 0.01 -0.14 -1.85 113.70 115.69 1pg7 s SER 191 Ca -0.05 -0.28 -0.04 0.00 1.31 0.00 0.00 55.95 56.88 1pg7 s SER 191 Cb -0.11 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 65.94 1pg7 s SER 191 CO 0.02 0.16 -0.00 0.00 0.41 0.00 0.00 173.24 173.83 1pg7 s HIS 193 N 1.46 3.24 -0.18 0.00 3.76 0.19 -1.62 115.29 122.14 1pg7 s HIS 193 Ca 0.04 0.04 0.00 0.00 -0.15 0.00 0.00 55.06 54.99 1pg7 s HIS 193 Cb -0.16 -2.23 0.04 0.00 1.11 0.00 0.00 32.58 31.34 1pg7 s HIS 193 CO -0.01 -0.03 -0.09 0.08 -0.85 0.00 0.00 174.74 173.83 1pg7 s VAL 194 N 1.10 1.42 -0.20 -0.90 1.01 0.11 -0.20 120.40 122.74 1pg7 s VAL 194 Ca 0.06 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 1pg7 s VAL 194 Cb -0.14 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1pg7 s VAL 194 CO 0.04 0.21 0.06 -0.89 0.00 0.00 0.00 175.10 174.52 1pg7 s THR 195 N 1.51 4.66 -0.04 3.92 2.01 0.09 0.68 115.64 128.47 1pg7 s THR 195 Ca 0.01 -0.07 -0.00 0.00 0.31 0.00 0.00 61.69 61.93 1pg7 s THR 195 Cb -0.15 -3.12 0.03 0.00 0.01 0.00 0.00 72.50 69.27 1pg7 s THR 195 CO -0.08 0.43 0.00 -2.28 -0.69 0.00 0.00 174.62 171.99 1pg7 s HIS 196 N 0.67 0.44 -1.49 4.92 5.04 -0.84 -1.65 115.29 122.39 1pg7 s HIS 196 Ca 0.03 -0.04 -0.11 0.00 -1.54 0.00 0.00 55.06 53.40 1pg7 s HIS 196 Cb -0.13 -0.55 0.07 0.00 0.04 0.00 0.00 32.58 32.01 1pg7 s HIS 196 CO 0.02 -0.19 0.92 0.39 -2.34 0.00 0.00 174.74 173.54 1pg7 n GLU 197 N 4.49 -5.42 -0.07 2.88 -0.58 -1.26 -1.55 120.64 119.12 1pg7 n GLU 197 Ca -0.19 0.60 0.00 0.00 -0.42 0.00 0.00 57.16 57.15 1pg7 n GLU 197 Cb 0.50 -5.42 0.00 0.00 -0.57 0.00 0.00 31.44 25.95 1pg7 n GLU 197 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pg7 n GLY 198 N -1.68 2.33 3.51 0.62 0.00 -1.26 -4.99 105.19 103.72 1pg7 n GLY 198 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 1pg7 n GLY 198 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pg7 s GLN 199 N -0.01 3.74 -0.17 1.61 -1.52 -0.60 -5.08 119.66 117.63 1pg7 s GLN 199 Ca 0.00 -0.46 -0.25 0.00 -1.95 0.00 0.00 55.36 52.70 1pg7 s GLN 199 Cb 0.00 -3.15 -0.02 0.00 -0.22 0.00 0.00 33.01 29.63 1pg7 s GLN 199 CO 0.00 0.08 0.82 0.45 -0.25 0.00 0.00 175.29 176.38 1pg7 s SER 200 N 0.86 6.94 -0.18 5.90 0.15 -1.26 -1.98 113.70 124.13 1pg7 s SER 200 Ca 0.02 1.15 -0.07 0.00 0.70 0.00 0.00 55.95 57.75 1pg7 s SER 200 Cb -0.14 -2.45 -0.04 0.00 -1.71 0.00 0.00 66.02 61.68 1pg7 s SER 200 CO 0.02 -0.38 0.06 -0.69 1.20 0.00 0.00 173.24 173.44 1pg7 s VAL 201 N 2.10 4.73 0.08 4.45 1.01 0.21 -4.93 120.40 128.05 1pg7 s VAL 201 Ca 0.38 -0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.37 1pg7 s VAL 201 Cb -0.17 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 1pg7 s VAL 201 CO 0.12 0.47 -0.19 -0.70 0.00 0.00 0.00 175.10 174.80 1pg7 s GLU 202 N 0.35 1.09 -0.00 2.72 2.12 -1.26 0.07 118.70 123.79 1pg7 s GLU 202 Ca 0.03 -1.02 0.03 0.00 0.36 0.00 0.00 54.97 54.36 1pg7 s GLU 202 Cb -0.12 -1.25 -0.01 0.00 0.26 0.00 0.00 34.13 33.01 1pg7 s GLU 202 CO 0.00 0.30 -0.09 0.15 -0.54 0.00 0.00 175.26 175.08 1pg7 s LYS 203 N -1.62 0.72 0.24 4.30 -0.14 -0.64 -5.00 119.74 117.60 1pg7 s LYS 203 Ca 0.04 -0.34 0.02 0.00 -1.36 0.00 0.00 55.97 54.32 1pg7 s LYS 203 Cb -0.09 -0.69 -0.05 0.00 -1.68 0.00 0.00 37.83 35.32 1pg7 s LYS 203 CO 0.03 0.19 0.07 -1.12 -0.76 0.00 0.00 175.35 173.76 1pg7 s SER 204 N -0.28 1.26 0.21 2.83 0.01 -1.26 -0.98 113.70 115.48 1pg7 s SER 204 Ca 0.03 -1.33 -0.23 0.00 1.31 0.00 0.00 55.95 55.73 1pg7 s SER 204 Cb -0.04 0.14 0.05 0.00 0.21 0.00 0.00 66.02 66.38 1pg7 s SER 204 CO -0.00 -0.68 0.73 -1.48 0.41 0.00 0.00 173.24 172.21 1pg7 s LEU 205 N -3.29 -0.35 0.00 2.44 0.05 -0.77 -4.99 118.68 111.78 1pg7 s LEU 205 Ca 0.35 -0.36 0.00 0.00 0.05 0.00 0.00 54.13 54.17 1pg7 s LEU 205 Cb 0.07 2.56 0.00 0.00 -2.05 0.00 0.00 46.19 46.78 1pg7 s LEU 205 CO 0.12 -1.13 0.24 -1.20 -0.55 0.00 0.00 176.35 173.83