#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ny7 h PRO 2 N 0.00 1.10 -6.51 1.61 0.11 -2.14 -3.43 132.00 122.75 1ny7 h PRO 2 Ca 0.00 -0.07 -0.54 0.00 0.11 0.00 0.00 66.00 65.51 1ny7 h PRO 2 Cb 0.00 -0.25 0.04 0.00 0.11 0.00 0.00 31.00 30.90 1ny7 h PRO 2 CO 0.00 0.73 1.09 0.28 -0.21 0.00 0.00 178.00 179.89 1ny7 n VAL 3 N -4.42 0.34 -3.09 3.15 0.31 -1.26 -4.98 118.33 108.38 1ny7 n VAL 3 Ca 0.10 -0.06 -0.39 0.00 -0.01 0.00 0.00 64.34 63.98 1ny7 n VAL 3 Cb 0.05 -2.08 -0.06 0.00 -0.91 0.00 0.00 33.84 30.84 1ny7 n VAL 3 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ny7 s ALA 5 N -0.74 3.22 0.03 0.00 0.00 -1.26 -4.97 121.76 118.04 1ny7 s ALA 5 Ca 0.34 0.60 -0.30 0.00 0.00 0.00 0.00 51.96 52.60 1ny7 s ALA 5 Cb -0.21 -3.34 -0.08 0.00 0.00 0.00 0.00 23.12 19.49 1ny7 s ALA 5 CO 0.22 -0.22 1.77 -2.00 0.00 0.00 0.00 175.76 175.53 1ny7 s GLU 6 N 0.78 4.17 0.40 0.00 2.12 -1.26 -5.01 118.70 119.90 1ny7 s GLU 6 Ca 0.52 2.41 -0.01 0.00 0.36 0.00 0.00 54.97 58.25 1ny7 s GLU 6 Cb -0.23 -3.88 -0.03 0.00 0.26 0.00 0.00 34.13 30.25 1ny7 s GLU 6 CO 0.29 -0.85 0.64 0.00 -0.54 0.00 0.00 175.26 174.80 1ny7 s ALA 7 N 3.62 3.60 0.24 6.30 0.00 -1.26 -5.11 121.76 129.15 1ny7 s ALA 7 Ca 0.79 -0.79 -0.10 0.00 0.00 0.00 0.00 51.96 51.86 1ny7 s ALA 7 Cb -0.40 -2.27 0.04 0.00 0.00 0.00 0.00 23.12 20.49 1ny7 s ALA 7 CO 0.35 -0.17 0.54 -1.13 0.00 0.00 0.00 175.76 175.35 1ny7 n SER 8 N -1.98 -1.45 -0.49 0.00 3.41 -1.26 -5.15 113.62 106.70 1ny7 n SER 8 Ca -0.02 -1.97 0.06 0.00 -0.26 0.00 0.00 58.87 56.68 1ny7 n SER 8 Cb 0.56 2.41 -0.02 0.00 -0.26 0.00 0.00 64.21 66.89 1ny7 n SER 8 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ny7 n ASP 9 N -1.30 -2.94 -4.36 4.04 8.00 -1.26 -4.87 116.55 113.85 1ny7 n ASP 9 Ca -0.05 0.33 -0.36 0.00 0.71 0.00 0.00 54.79 55.41 1ny7 n ASP 9 Cb 0.39 -1.57 -0.13 0.00 -0.02 0.00 0.00 41.12 39.79 1ny7 n ASP 9 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ny7 s VAL 10 N -2.26 3.85 -0.23 2.53 1.01 -1.26 -5.07 120.40 118.97 1ny7 s VAL 10 Ca 0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 1ny7 s VAL 10 Cb 0.00 -2.85 0.02 0.00 0.00 0.00 0.00 36.38 33.56 1ny7 s VAL 10 CO 0.00 0.29 -0.10 -0.31 0.00 0.00 0.00 175.10 174.97 1ny7 s TYR 11 N 1.53 2.98 -0.06 5.22 1.51 -1.26 -4.78 117.35 122.49 1ny7 s TYR 11 Ca 0.05 -1.56 -0.10 0.00 -1.01 0.00 0.00 57.07 54.45 1ny7 s TYR 11 Cb -0.15 -2.01 -0.05 0.00 -0.11 0.00 0.00 41.96 39.63 1ny7 s TYR 11 CO 0.01 -0.74 0.26 -1.54 -1.11 0.00 0.00 175.55 172.43 1ny7 s SER 12 N 1.32 6.57 -0.14 2.29 1.04 -0.77 -4.79 113.70 119.22 1ny7 s SER 12 Ca 0.02 0.68 -0.29 0.00 0.48 0.00 0.00 55.95 56.83 1ny7 s SER 12 Cb -0.16 -2.14 -0.05 0.00 0.10 0.00 0.00 66.02 63.77 1ny7 s SER 12 CO -0.07 0.36 1.93 -2.16 0.98 0.00 0.00 173.24 174.28 1ny7 s PRO 13 N -1.14 3.67 -0.18 4.02 0.04 -1.26 -2.28 135.00 137.87 1ny7 s PRO 13 Ca 0.20 2.07 -0.14 0.00 0.04 0.00 0.00 61.00 63.17 1ny7 s PRO 13 Cb -0.14 -4.19 -0.08 0.00 0.04 0.00 0.00 34.50 30.13 1ny7 s PRO 13 CO 0.09 -1.47 -0.16 0.00 0.04 0.00 0.00 177.00 175.50 1ny7 s MET 15 N -2.45 0.42 0.00 0.00 0.23 -1.18 -0.22 119.30 116.11 1ny7 s MET 15 Ca -0.23 -0.11 0.02 0.00 -1.03 0.00 0.00 55.69 54.34 1ny7 s MET 15 Cb 0.05 0.19 -0.01 0.00 -1.53 0.00 0.00 34.83 33.52 1ny7 s MET 15 CO 0.37 -0.09 -0.06 -1.50 -2.03 0.00 0.00 175.02 171.70 1ny7 s ILE 16 N -0.81 0.46 -0.03 3.16 2.07 0.40 -0.86 121.20 125.59 1ny7 s ILE 16 Ca -0.09 -0.38 0.02 0.00 -1.41 0.00 0.00 60.65 58.78 1ny7 s ILE 16 Cb -0.05 -0.42 0.01 0.00 0.13 0.00 0.00 42.46 42.13 1ny7 s ILE 16 CO 0.01 0.04 -0.06 0.00 -1.91 0.00 0.00 174.94 173.03 1ny7 s ALA 17 N -0.34 0.64 -0.04 1.50 0.00 -0.59 0.07 121.76 123.00 1ny7 s ALA 17 Ca 0.00 -0.17 0.06 0.00 0.00 0.00 0.00 51.96 51.85 1ny7 s ALA 17 Cb -0.03 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 1ny7 s ALA 17 CO -0.00 0.07 -0.21 -1.12 0.00 0.00 0.00 175.76 174.50 1ny7 s SER 18 N 0.40 3.44 0.76 0.00 0.01 0.14 -0.80 113.70 117.65 1ny7 s SER 18 Ca -0.05 -0.37 -0.14 0.00 1.31 0.00 0.00 55.95 56.69 1ny7 s SER 18 Cb -0.09 -0.62 0.06 0.00 0.21 0.00 0.00 66.02 65.57 1ny7 s SER 18 CO 0.00 0.32 1.21 0.42 0.41 0.00 0.00 173.24 175.59 1ny7 s THR 19 N -0.57 2.22 0.30 1.44 -4.23 0.30 -0.87 115.64 114.23 1ny7 s THR 19 Ca 0.08 0.10 -0.29 0.00 -1.18 0.00 0.00 61.69 60.41 1ny7 s THR 19 Cb -0.11 -2.61 -0.13 0.00 1.34 0.00 0.00 72.50 70.99 1ny7 s THR 19 CO 0.00 -0.06 1.24 -2.65 -0.54 0.00 0.00 174.62 172.61 1ny7 n PRO 20 N -2.95 1.88 -0.87 3.99 -0.02 -0.76 -4.64 135.00 131.63 1ny7 n PRO 20 Ca 0.13 0.66 -0.30 0.00 -2.02 0.00 0.00 63.50 61.98 1ny7 n PRO 20 Cb 0.50 -2.21 0.17 0.00 -0.02 0.00 0.00 33.50 31.95 1ny7 n PRO 20 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ny7 s PRO 21 N -1.40 0.75 0.75 0.52 0.04 -1.26 -4.67 135.00 129.73 1ny7 s PRO 21 Ca 0.60 1.13 -0.15 0.00 0.04 0.00 0.00 61.00 62.62 1ny7 s PRO 21 Cb -0.63 -1.73 0.05 0.00 0.04 0.00 0.00 34.50 32.23 1ny7 s PRO 21 CO 0.58 -2.68 1.23 0.00 0.04 0.00 0.00 177.00 176.18 1ny7 s ALA 22 N -2.71 2.03 -0.90 8.56 0.00 -1.26 -1.44 121.76 126.04 1ny7 s ALA 22 Ca 0.66 0.96 0.08 0.00 0.00 0.00 0.00 51.96 53.65 1ny7 s ALA 22 Cb -0.21 -3.51 0.39 0.00 0.00 0.00 0.00 23.12 19.79 1ny7 s ALA 22 CO 0.59 -2.04 1.14 -0.35 0.00 0.00 0.00 175.76 175.10 1ny7 n PRO 23 N -2.81 2.71 -1.60 0.00 -0.04 -1.26 -5.10 135.00 126.89 1ny7 n PRO 23 Ca 0.14 -1.50 -0.44 0.00 -0.04 0.00 0.00 63.50 61.67 1ny7 n PRO 23 Cb 0.50 -1.76 -0.01 0.00 -0.04 0.00 0.00 33.50 32.19 1ny7 n PRO 23 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1ny7 n PHE 24 N 0.36 1.31 -1.97 0.54 7.35 -0.52 -4.88 117.46 119.64 1ny7 n PHE 24 Ca 0.13 0.67 0.00 0.00 -0.76 0.00 0.00 57.45 57.49 1ny7 n PHE 24 Cb 0.64 -2.26 0.00 0.00 0.35 0.00 0.00 39.48 38.21 1ny7 n PHE 24 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1ny7 n SER 25 N 1.08 0.00 -4.92 -2.13 3.41 -1.26 -4.57 113.62 105.22 1ny7 n SER 25 Ca 0.09 -1.05 -0.26 0.00 -0.26 0.00 0.00 58.87 57.39 1ny7 n SER 25 Cb 0.34 -0.01 0.04 0.00 -0.26 0.00 0.00 64.21 64.31 1ny7 n SER 25 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1ny7 s ASP 26 N -0.05 5.48 0.25 4.04 1.11 -1.26 -4.73 116.67 121.51 1ny7 s ASP 26 Ca 0.00 0.62 -0.31 0.00 0.18 0.00 0.00 52.55 53.05 1ny7 s ASP 26 Cb 0.00 -1.58 -0.11 0.00 1.07 0.00 0.00 42.92 42.30 1ny7 s ASP 26 CO 0.00 -1.13 1.61 -0.69 1.18 0.00 0.00 175.17 176.14 1ny7 s VAL 27 N -2.99 2.18 0.06 -1.27 1.01 -1.26 -4.37 120.40 113.76 1ny7 s VAL 27 Ca 0.55 0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.65 1ny7 s VAL 27 Cb -0.11 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 1ny7 s VAL 27 CO 0.44 0.02 0.01 0.28 0.00 0.00 0.00 175.10 175.85 1ny7 s THR 28 N 0.45 0.21 0.04 3.92 -1.32 -0.82 -5.02 115.64 113.10 1ny7 s THR 28 Ca 0.67 -1.71 -0.03 0.00 -1.21 0.00 0.00 61.69 59.40 1ny7 s THR 28 Cb -0.47 -1.50 -0.02 0.00 -1.51 0.00 0.00 72.50 69.00 1ny7 s THR 28 CO 0.41 -0.94 0.03 0.00 -2.21 0.00 0.00 174.62 171.91 1ny7 s ALA 29 N -3.91 0.13 0.02 11.08 0.00 -1.26 -0.29 121.76 127.53 1ny7 s ALA 29 Ca 0.07 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.32 1ny7 s ALA 29 Cb 0.08 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 23.41 1ny7 s ALA 29 CO -0.10 -0.29 -0.09 0.54 0.00 0.00 0.00 175.76 175.82 1ny7 s VAL 30 N -2.67 0.68 -0.11 0.00 0.11 -0.66 -1.85 120.40 115.89 1ny7 s VAL 30 Ca -0.05 -0.69 0.02 0.00 -2.93 0.00 0.00 61.98 58.34 1ny7 s VAL 30 Cb -0.01 -0.63 0.01 0.00 -1.53 0.00 0.00 36.38 34.22 1ny7 s VAL 30 CO -0.05 -0.04 -0.19 0.28 -3.33 0.00 0.00 175.10 171.77 1ny7 s THR 31 N -0.67 1.76 -0.07 5.04 -1.32 0.14 -0.87 115.64 119.65 1ny7 s THR 31 Ca -0.01 -0.81 -0.16 0.00 -1.21 0.00 0.00 61.69 59.50 1ny7 s THR 31 Cb -0.06 -1.57 -0.05 0.00 -1.51 0.00 0.00 72.50 69.31 1ny7 s THR 31 CO 0.00 0.49 0.41 -0.36 -2.21 0.00 0.00 174.62 172.96 1ny7 s PHE 32 N 0.77 3.61 -0.76 9.09 0.08 0.29 -1.49 117.98 129.57 1ny7 s PHE 32 Ca -0.10 0.89 -0.16 0.00 0.12 0.00 0.00 56.93 57.68 1ny7 s PHE 32 Cb -0.16 -2.38 0.17 0.00 -0.57 0.00 0.00 43.02 40.08 1ny7 s PHE 32 CO 0.01 0.41 0.76 0.34 -0.10 0.00 0.00 175.22 176.64 1ny7 s ASP 33 N -0.24 6.56 0.54 1.36 3.68 0.93 -0.57 116.67 128.94 1ny7 s ASP 33 Ca 0.23 -2.26 0.29 0.00 2.13 0.00 0.00 52.55 52.94 1ny7 s ASP 33 Cb -0.15 -2.25 1.45 0.00 -1.45 0.00 0.00 42.92 40.52 1ny7 s ASP 33 CO 0.11 -0.77 1.93 -0.07 0.13 0.00 0.00 175.17 176.50 1ny7 h LEU 34 N 8.65 0.00 0.04 -1.34 4.07 -1.58 0.86 115.31 126.01 1ny7 h LEU 34 Ca -0.02 0.00 -0.38 0.00 0.08 0.00 0.00 57.88 57.56 1ny7 h LEU 34 Cb 1.06 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.74 1ny7 h LEU 34 CO 0.90 0.00 -2.31 -0.38 -1.08 0.00 0.00 178.44 175.57 1ny7 n ILE 35 N -4.23 1.59 0.79 1.22 5.41 -1.25 -4.41 119.36 118.48 1ny7 n ILE 35 Ca 0.14 -0.59 0.12 0.00 1.00 0.00 0.00 62.75 63.41 1ny7 n ILE 35 Cb 0.78 -1.54 0.21 0.00 -0.71 0.00 0.00 39.64 38.38 1ny7 n ILE 35 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1ny7 n ASN 36 N -3.36 0.57 -2.01 4.38 3.02 -1.17 -4.39 115.26 112.30 1ny7 n ASN 36 Ca -0.41 -0.09 -0.02 0.00 -0.03 0.00 0.00 54.58 54.03 1ny7 n ASN 36 Cb 1.00 0.25 0.01 0.00 -0.61 0.00 0.00 39.78 40.44 1ny7 n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ny7 n GLY 37 N 1.42 -0.19 2.88 7.41 0.00 0.28 -4.84 105.19 112.16 1ny7 n GLY 37 Ca 0.04 -0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 1ny7 n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ny7 s LYS 38 N -3.20 0.28 -0.08 1.61 1.02 -1.14 -4.97 119.74 113.26 1ny7 s LYS 38 Ca 0.07 -0.04 0.01 0.00 0.02 0.00 0.00 55.97 56.02 1ny7 s LYS 38 Cb -0.01 -0.35 -0.03 0.00 -0.52 0.00 0.00 37.83 36.93 1ny7 s LYS 38 CO 0.23 -0.01 -0.10 0.42 -0.92 0.00 0.00 175.35 174.97 1ny7 s ILE 39 N 0.36 3.42 -0.22 2.17 1.01 -1.26 -0.05 121.20 126.63 1ny7 s ILE 39 Ca -0.03 -0.57 -0.04 0.00 0.00 0.00 0.00 60.65 60.00 1ny7 s ILE 39 Cb -0.06 -2.40 0.08 0.00 0.01 0.00 0.00 42.46 40.09 1ny7 s ILE 39 CO -0.01 0.57 0.13 -0.89 0.00 0.00 0.00 174.94 174.74 1ny7 s THR 40 N -0.43 -0.12 0.97 2.92 2.01 -0.56 -4.98 115.64 115.45 1ny7 s THR 40 Ca 0.06 -0.40 -0.15 0.00 0.31 0.00 0.00 61.69 61.51 1ny7 s THR 40 Cb -0.12 -0.76 0.18 0.00 0.01 0.00 0.00 72.50 71.81 1ny7 s THR 40 CO 0.02 -0.45 1.21 -2.16 -0.69 0.00 0.00 174.62 172.55 1ny7 s PRO 41 N 2.16 0.63 0.00 4.92 0.04 -1.26 -0.69 135.00 140.80 1ny7 s PRO 41 Ca 0.05 -0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.04 1ny7 s PRO 41 Cb -0.16 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1ny7 s PRO 41 CO -0.21 -2.47 0.80 1.33 0.04 0.00 0.00 177.00 176.48 1ny7 n VAL 42 N -3.89 0.00 0.00 -0.36 0.24 -0.77 -4.83 118.33 108.72 1ny7 n VAL 42 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.41 1ny7 n VAL 42 Cb 0.60 -0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.84 1ny7 n VAL 42 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ny7 n GLY 43 N 0.32 2.45 2.41 7.63 0.00 -1.26 -4.93 105.19 111.80 1ny7 n GLY 43 Ca 0.00 -0.86 -0.36 0.00 0.00 0.00 0.00 46.02 44.80 1ny7 n GLY 43 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ny7 n ASP 44 N 0.04 7.76 -3.13 1.61 5.68 -1.26 -4.94 116.55 122.31 1ny7 n ASP 44 Ca 0.00 -2.98 0.00 0.00 -0.50 0.00 0.00 54.79 51.31 1ny7 n ASP 44 Cb 0.00 -1.39 0.00 0.00 -1.14 0.00 0.00 41.12 38.59 1ny7 n ASP 44 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1ny7 n ASP 45 N 2.05 0.00 -1.40 -1.12 5.75 -1.26 -4.54 116.55 116.03 1ny7 n ASP 45 Ca 0.63 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 55.36 1ny7 n ASP 45 Cb 0.34 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.45 1ny7 n ASP 45 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1ny7 n ASN 46 N 0.00 -2.45 -4.12 -1.12 3.02 -1.26 -4.80 115.26 104.53 1ny7 n ASN 46 Ca 0.00 -0.13 -0.33 0.00 -0.03 0.00 0.00 54.58 54.08 1ny7 n ASN 46 Cb 0.00 -1.54 -0.14 0.00 -0.61 0.00 0.00 39.78 37.48 1ny7 n ASN 46 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1ny7 s TRP 47 N -3.08 3.24 -0.07 3.10 0.52 -1.26 -1.83 118.94 119.57 1ny7 s TRP 47 Ca 0.06 -2.08 -0.27 0.00 0.02 0.00 0.00 56.10 53.84 1ny7 s TRP 47 Cb -0.03 -2.01 -0.03 0.00 -1.15 0.00 0.00 33.47 30.26 1ny7 s TRP 47 CO 0.17 -0.84 0.85 1.21 0.02 0.00 0.00 176.95 178.36 1ny7 s ASN 48 N 1.18 7.13 0.23 2.95 3.84 -0.05 -4.85 114.94 125.36 1ny7 s ASN 48 Ca -0.07 1.37 0.07 0.00 0.21 0.00 0.00 52.86 54.45 1ny7 s ASN 48 Cb -0.20 -2.49 -0.05 0.00 -0.55 0.00 0.00 41.25 37.97 1ny7 s ASN 48 CO -0.03 -0.25 -0.11 0.42 -2.79 0.00 0.00 177.10 174.33 1ny7 s THR 49 N 1.25 1.67 -0.06 -5.21 -4.23 -1.26 0.27 115.64 108.07 1ny7 s THR 49 Ca 0.43 -2.18 -0.17 0.00 -1.18 0.00 0.00 61.69 58.60 1ny7 s THR 49 Cb -0.19 -2.18 0.04 0.00 1.34 0.00 0.00 72.50 71.51 1ny7 s THR 49 CO 0.20 -0.50 0.40 -1.00 -0.54 0.00 0.00 174.62 173.18 1ny7 s HIS 50 N -3.01 -0.33 -0.08 3.99 3.76 0.11 -4.98 115.29 114.74 1ny7 s HIS 50 Ca 0.25 0.64 0.03 0.00 -0.15 0.00 0.00 55.06 55.83 1ny7 s HIS 50 Cb 0.01 0.16 0.01 0.00 1.11 0.00 0.00 32.58 33.87 1ny7 s HIS 50 CO 0.08 -0.38 -0.17 0.42 -0.85 0.00 0.00 174.74 173.85 1ny7 s ILE 51 N -0.87 1.50 0.44 0.60 1.01 -1.26 -0.45 121.20 122.17 1ny7 s ILE 51 Ca -0.09 -0.68 0.08 0.00 0.00 0.00 0.00 60.65 59.95 1ny7 s ILE 51 Cb -0.04 -1.34 0.01 0.00 0.01 0.00 0.00 42.46 41.11 1ny7 s ILE 51 CO 0.04 0.44 0.56 -0.31 0.00 0.00 0.00 174.94 175.67 1ny7 s TYR 52 N 0.62 2.60 -0.50 3.97 2.02 0.70 -4.80 117.35 121.96 1ny7 s TYR 52 Ca -0.15 -0.46 0.04 0.00 -0.37 0.00 0.00 57.07 56.12 1ny7 s TYR 52 Cb -0.16 -2.31 0.42 0.00 -0.40 0.00 0.00 41.96 39.51 1ny7 s TYR 52 CO 0.04 -0.46 1.40 0.09 -1.57 0.00 0.00 175.55 175.06 1ny7 n ASN 53 N -1.84 5.61 -4.78 2.29 3.02 -1.26 -4.86 115.26 113.43 1ny7 n ASN 53 Ca 0.08 -3.76 -0.31 0.00 -0.03 0.00 0.00 54.58 50.56 1ny7 n ASN 53 Cb 0.60 -0.59 0.08 0.00 -0.61 0.00 0.00 39.78 39.25 1ny7 n ASN 53 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1ny7 s PRO 54 N -3.68 2.48 0.23 3.52 0.04 -1.26 -4.76 135.00 131.56 1ny7 s PRO 54 Ca 0.51 1.15 -0.16 0.00 0.04 0.00 0.00 61.00 62.54 1ny7 s PRO 54 Cb 0.42 -1.92 0.26 0.00 0.04 0.00 0.00 34.50 33.30 1ny7 s PRO 54 CO -0.15 -1.47 1.57 -1.35 0.04 0.00 0.00 177.00 175.64 1ny7 h PRO 55 N -0.89 -0.03 -0.94 0.56 0.11 -1.98 0.20 132.00 129.03 1ny7 h PRO 55 Ca -0.44 0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.82 1ny7 h PRO 55 Cb 1.23 0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.27 1ny7 h PRO 55 CO 0.53 -0.02 0.60 0.97 -0.21 0.00 0.00 178.00 179.86 1ny7 h ILE 56 N -0.04 0.82 -0.06 4.15 2.10 -1.96 -0.60 117.51 121.92 1ny7 h ILE 56 Ca 0.35 -0.26 -0.11 0.00 1.08 0.00 0.00 64.86 65.92 1ny7 h ILE 56 Cb 0.61 -0.00 -0.01 0.00 -1.09 0.00 0.00 36.82 36.32 1ny7 h ILE 56 CO -0.91 0.14 -0.46 -0.03 -1.08 0.00 0.00 178.15 175.81 1ny7 h MET 57 N 0.76 0.15 0.02 2.19 4.05 -0.94 -1.08 114.93 120.09 1ny7 h MET 57 Ca 0.49 -0.08 -0.21 0.00 -0.28 0.00 0.00 59.70 59.62 1ny7 h MET 57 Cb 0.73 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.52 1ny7 h MET 57 CO -0.25 0.59 -0.98 -0.91 0.23 0.00 0.00 176.91 175.59 1ny7 h ASN 58 N 0.13 0.13 -0.23 1.39 2.35 -0.76 -2.33 115.58 116.25 1ny7 h ASN 58 Ca 0.01 -0.12 -0.08 0.00 -0.55 0.00 0.00 56.30 55.55 1ny7 h ASN 58 Cb 0.87 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 39.19 1ny7 h ASN 58 CO 0.07 1.03 -0.18 0.58 -1.65 0.00 0.00 177.43 177.27 1ny7 h VAL 59 N 0.04 1.32 -0.65 2.81 2.07 -1.05 -2.40 116.25 118.38 1ny7 h VAL 59 Ca -0.04 -1.31 0.02 0.00 0.82 0.00 0.00 66.70 66.19 1ny7 h VAL 59 Cb 1.68 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 33.09 1ny7 h VAL 59 CO 0.14 0.41 0.43 -0.07 0.02 0.00 0.00 177.57 178.49 1ny7 h LEU 60 N 0.22 0.72 -0.00 2.57 3.38 -1.22 0.50 115.31 121.47 1ny7 h LEU 60 Ca 0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1ny7 h LEU 60 Cb 0.71 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1ny7 h LEU 60 CO 0.05 0.51 -0.32 0.54 0.09 0.00 0.00 178.44 179.31 1ny7 n ARG 61 N -4.45 0.01 -0.00 1.13 1.74 -0.88 -4.19 116.66 110.03 1ny7 n ARG 61 Ca 0.07 -0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.16 1ny7 n ARG 61 Cb 0.07 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 29.99 1ny7 n ARG 61 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1ny7 n THR 62 N -1.49 0.00 -2.47 0.55 -2.24 -0.91 -4.86 114.28 102.85 1ny7 n THR 62 Ca 0.06 -0.15 -0.43 0.00 -2.27 0.00 0.00 64.05 61.26 1ny7 n THR 62 Cb 0.34 0.55 -0.02 0.00 -2.10 0.00 0.00 70.33 69.09 1ny7 n THR 62 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ny7 s ALA 63 N -2.03 3.45 0.02 6.98 0.00 0.13 -0.26 121.76 130.05 1ny7 s ALA 63 Ca -0.01 0.13 -0.29 0.00 0.00 0.00 0.00 51.96 51.80 1ny7 s ALA 63 Cb 0.02 -3.72 -0.16 0.00 0.00 0.00 0.00 23.12 19.26 1ny7 s ALA 63 CO 0.13 -1.59 1.19 0.00 0.00 0.00 0.00 175.76 175.50 1ny7 h ALA 64 N 8.80 -1.04 -3.27 0.00 0.00 -1.26 -3.44 119.26 119.05 1ny7 h ALA 64 Ca -0.25 -0.23 -0.63 0.00 0.00 0.00 0.00 54.91 53.80 1ny7 h ALA 64 Cb 1.09 0.40 -0.17 0.00 0.00 0.00 0.00 17.79 19.11 1ny7 h ALA 64 CO 1.02 -0.97 -0.60 -1.58 0.00 0.00 0.00 179.25 177.13 1ny7 s TRP 65 N -4.91 3.19 0.07 0.00 0.52 0.97 -4.41 118.94 114.37 1ny7 s TRP 65 Ca -0.15 0.01 0.08 0.00 0.02 0.00 0.00 56.10 56.06 1ny7 s TRP 65 Cb 0.02 -1.99 -0.03 0.00 -1.15 0.00 0.00 33.47 30.32 1ny7 s TRP 65 CO 0.45 0.19 -0.21 0.15 0.02 0.00 0.00 176.95 177.55 1ny7 s LYS 66 N 0.08 1.25 -0.22 4.98 1.02 -0.62 -0.47 119.74 125.76 1ny7 s LYS 66 Ca 0.03 -1.04 -0.06 0.00 0.02 0.00 0.00 55.97 54.92 1ny7 s LYS 66 Cb -0.13 -1.44 0.11 0.00 -0.52 0.00 0.00 37.83 35.85 1ny7 s LYS 66 CO 0.01 0.35 0.44 0.45 -0.92 0.00 0.00 175.35 175.69 1ny7 s SER 67 N -1.53 -0.31 0.00 2.83 0.15 -0.52 -0.53 113.70 113.79 1ny7 s SER 67 Ca 0.07 0.93 0.00 0.00 0.70 0.00 0.00 55.95 57.65 1ny7 s SER 67 Cb -0.09 1.44 0.00 0.00 -1.71 0.00 0.00 66.02 65.66 1ny7 s SER 67 CO 0.03 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1ny7 n GLY 68 N 5.39 -0.85 3.77 9.45 0.00 -0.32 -0.79 105.19 121.84 1ny7 n GLY 68 Ca -0.08 -1.54 -0.36 0.00 0.00 0.00 0.00 46.02 44.04 1ny7 n GLY 68 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ny7 s THR 69 N -2.11 4.96 -0.11 2.61 2.01 -1.26 -0.33 115.64 121.40 1ny7 s THR 69 Ca 0.00 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.03 1ny7 s THR 69 Cb 0.00 -3.15 -0.01 0.00 0.01 0.00 0.00 72.50 69.36 1ny7 s THR 69 CO 0.00 0.59 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.70 1ny7 s ILE 70 N -0.75 2.49 -0.23 1.82 1.01 -0.36 -1.15 121.20 124.03 1ny7 s ILE 70 Ca 0.13 -0.86 -0.08 0.00 0.00 0.00 0.00 60.65 59.83 1ny7 s ILE 70 Cb -0.12 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 1ny7 s ILE 70 CO 0.03 0.54 0.10 -1.00 0.00 0.00 0.00 174.94 174.61 1ny7 s HIS 71 N 0.34 3.19 0.16 3.97 3.76 0.51 -1.82 115.29 125.39 1ny7 s HIS 71 Ca -0.15 -0.08 0.08 0.00 -0.15 0.00 0.00 55.06 54.76 1ny7 s HIS 71 Cb -0.17 -2.22 -0.04 0.00 1.11 0.00 0.00 32.58 31.26 1ny7 s HIS 71 CO 0.08 -0.11 -0.08 0.08 -0.85 0.00 0.00 174.74 173.85 1ny7 s VAL 72 N 1.20 3.33 -0.17 -0.90 1.01 -0.47 -0.27 120.40 124.14 1ny7 s VAL 72 Ca 0.05 -1.51 -0.04 0.00 0.00 0.00 0.00 61.98 60.49 1ny7 s VAL 72 Cb -0.14 -2.63 0.08 0.00 0.00 0.00 0.00 36.38 33.69 1ny7 s VAL 72 CO 0.04 -0.05 0.23 -1.58 0.00 0.00 0.00 175.10 173.74 1ny7 s GLN 73 N -2.67 0.16 -0.28 2.72 0.74 0.82 -2.75 119.66 118.41 1ny7 s GLN 73 Ca 0.24 0.38 -0.19 0.00 0.05 0.00 0.00 55.36 55.84 1ny7 s GLN 73 Cb -0.10 -0.80 -0.02 0.00 1.10 0.00 0.00 33.01 33.20 1ny7 s GLN 73 CO 0.15 -0.52 0.59 -1.17 -0.55 0.00 0.00 175.29 173.79 1ny7 s LEU 74 N 2.35 4.09 -0.16 3.68 2.96 0.45 -1.20 118.68 130.86 1ny7 s LEU 74 Ca 0.05 0.54 -0.06 0.00 -0.22 0.00 0.00 54.13 54.44 1ny7 s LEU 74 Cb -0.14 -2.77 -0.04 0.00 0.50 0.00 0.00 46.19 43.74 1ny7 s LEU 74 CO -0.10 -0.38 0.05 0.20 -1.32 0.00 0.00 176.35 174.79 1ny7 s ASN 75 N 1.56 5.53 -0.25 3.68 0.01 -0.06 -1.29 114.94 124.12 1ny7 s ASN 75 Ca 0.24 0.09 -0.01 0.00 -0.71 0.00 0.00 52.86 52.47 1ny7 s ASN 75 Cb -0.15 -1.89 0.03 0.00 0.41 0.00 0.00 41.25 39.65 1ny7 s ASN 75 CO 0.10 0.22 -0.07 -0.69 -1.51 0.00 0.00 177.10 175.14 1ny7 s VAL 76 N 0.10 2.73 -0.16 1.60 1.01 0.06 -0.36 120.40 125.37 1ny7 s VAL 76 Ca 0.04 -1.12 -0.06 0.00 0.00 0.00 0.00 61.98 60.84 1ny7 s VAL 76 Cb -0.12 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1ny7 s VAL 76 CO 0.01 0.17 0.05 -0.13 0.00 0.00 0.00 175.10 175.20 1ny7 s ARG 77 N 1.29 3.78 0.35 2.72 0.52 -0.33 -2.03 118.95 125.26 1ny7 s ARG 77 Ca -0.01 -0.35 0.08 0.00 -0.52 0.00 0.00 55.73 54.93 1ny7 s ARG 77 Cb -0.17 -3.13 -0.04 0.00 0.52 0.00 0.00 34.95 32.13 1ny7 s ARG 77 CO -0.05 0.37 0.20 0.20 0.02 0.00 0.00 175.30 176.04 1ny7 s GLY 78 N 0.09 1.94 1.04 -3.53 0.00 -0.94 -1.04 107.32 104.88 1ny7 s GLY 78 Ca 0.05 -1.80 -0.12 0.00 0.00 0.00 0.00 44.72 42.84 1ny7 s GLY 78 CO 0.01 -1.72 1.07 0.00 0.00 0.00 0.00 173.10 172.46 1ny7 s ALA 79 N -2.41 0.53 -0.80 3.20 0.00 0.11 -4.70 121.76 117.70 1ny7 s ALA 79 Ca 0.39 -0.14 -0.22 0.00 0.00 0.00 0.00 51.96 51.99 1ny7 s ALA 79 Cb -0.03 -3.21 0.08 0.00 0.00 0.00 0.00 23.12 19.96 1ny7 s ALA 79 CO 0.24 -3.15 1.12 0.20 0.00 0.00 0.00 175.76 174.17 1ny7 s GLY 80 N -3.02 1.44 -0.05 0.00 0.00 -1.26 -4.76 107.32 99.68 1ny7 s GLY 80 Ca 0.66 -2.09 0.06 0.00 0.00 0.00 0.00 44.72 43.35 1ny7 s GLY 80 CO 0.60 2.22 -0.25 0.14 0.00 0.00 0.00 173.10 175.81 1ny7 s VAL 81 N 4.05 2.00 0.16 1.40 1.01 -1.26 -5.08 120.40 122.68 1ny7 s VAL 81 Ca 0.30 -1.05 -0.34 0.00 0.00 0.00 0.00 61.98 60.90 1ny7 s VAL 81 Cb -0.10 -1.69 -0.15 0.00 0.00 0.00 0.00 36.38 34.44 1ny7 s VAL 81 CO 0.03 0.56 1.36 0.29 0.00 0.00 0.00 175.10 177.33 1ny7 n LYS 82 N 2.86 1.56 -0.27 2.72 4.76 -1.26 -4.78 118.16 123.74 1ny7 n LYS 82 Ca -0.17 0.56 0.05 0.00 -2.87 0.00 0.00 58.31 55.88 1ny7 n LYS 82 Cb 0.52 -2.19 0.19 0.00 -1.84 0.00 0.00 35.03 31.71 1ny7 n LYS 82 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 1ny7 h ARG 83 N 4.45 0.56 -0.01 1.97 2.43 -1.98 -0.98 114.38 120.82 1ny7 h ARG 83 Ca -0.45 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1ny7 h ARG 83 Cb 1.31 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1ny7 h ARG 83 CO 0.78 0.37 0.12 0.00 -1.51 0.00 0.00 179.97 179.73 1ny7 h ALA 84 N 1.52 1.18 -0.02 2.80 0.00 -2.06 0.24 119.26 122.92 1ny7 h ALA 84 Ca 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1ny7 h ALA 84 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1ny7 h ALA 84 CO -0.34 -0.13 -0.39 -0.25 0.00 0.00 0.00 179.25 178.14 1ny7 n ASP 85 N -3.10 2.21 -4.74 0.00 10.43 -0.38 -4.97 116.55 116.00 1ny7 n ASP 85 Ca -0.02 -1.60 -0.42 0.00 2.57 0.00 0.00 54.79 55.32 1ny7 n ASP 85 Cb 0.19 0.39 -0.02 0.00 1.84 0.00 0.00 41.12 43.51 1ny7 n ASP 85 CO 0.00 0.00 0.00 0.86 -1.07 0.00 0.00 177.20 176.99 1ny7 s TRP 86 N -2.39 2.87 0.00 1.24 -0.11 0.07 -4.85 118.94 115.77 1ny7 s TRP 86 Ca 0.20 0.65 0.00 0.00 1.22 0.00 0.00 56.10 58.17 1ny7 s TRP 86 Cb 0.18 -4.05 0.00 0.00 -1.50 0.00 0.00 33.47 28.11 1ny7 s TRP 86 CO 0.52 -3.70 0.05 -0.40 -4.62 0.00 0.00 176.95 168.81 1ny7 n ASP 87 N 2.98 0.01 -4.74 5.86 5.68 -1.26 -5.06 116.55 120.01 1ny7 n ASP 87 Ca 0.11 -1.00 -0.34 0.00 -0.50 0.00 0.00 54.79 53.06 1ny7 n ASP 87 Cb 0.37 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.41 1ny7 n ASP 87 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1ny7 s GLY 88 N -0.00 2.41 -0.07 6.12 0.00 -1.26 -4.91 107.32 109.61 1ny7 s GLY 88 Ca 0.00 0.82 -0.11 0.00 0.00 0.00 0.00 44.72 45.43 1ny7 s GLY 88 CO 0.00 1.21 0.28 1.20 0.00 0.00 0.00 173.10 175.79 1ny7 s GLN 89 N -3.79 0.45 -0.06 2.90 -0.21 -1.26 -4.50 119.66 113.19 1ny7 s GLN 89 Ca 0.73 0.15 0.06 0.00 0.02 0.00 0.00 55.36 56.32 1ny7 s GLN 89 Cb -0.27 0.21 -0.01 0.00 1.00 0.00 0.00 33.01 33.93 1ny7 s GLN 89 CO 0.40 -0.09 -0.23 0.14 -2.12 0.00 0.00 175.29 173.39 1ny7 s VAL 90 N -0.42 2.21 -0.15 1.09 -7.23 -0.53 -0.88 120.40 114.49 1ny7 s VAL 90 Ca -0.05 -1.02 0.00 0.00 -1.81 0.00 0.00 61.98 59.10 1ny7 s VAL 90 Cb -0.04 -1.81 -0.00 0.00 0.56 0.00 0.00 36.38 35.09 1ny7 s VAL 90 CO 0.02 0.57 -0.15 -0.36 -0.31 0.00 0.00 175.10 174.87 1ny7 s PHE 91 N -0.22 2.78 -0.10 2.82 2.99 -0.78 -1.47 117.98 124.01 1ny7 s PHE 91 Ca -0.02 -0.99 0.02 0.00 0.00 0.00 0.00 56.93 55.94 1ny7 s PHE 91 Cb -0.13 -1.88 -0.02 0.00 0.00 0.00 0.00 43.02 40.98 1ny7 s PHE 91 CO 0.03 -0.44 -0.14 0.08 -0.00 0.00 0.00 175.22 174.74 1ny7 s VAL 92 N 0.76 2.98 -0.09 -0.44 1.01 0.64 -0.29 120.40 124.97 1ny7 s VAL 92 Ca -0.06 -0.71 -0.00 0.00 0.00 0.00 0.00 61.98 61.20 1ny7 s VAL 92 Cb -0.15 -2.21 0.02 0.00 0.00 0.00 0.00 36.38 34.04 1ny7 s VAL 92 CO 0.01 0.55 -0.05 -0.31 0.00 0.00 0.00 175.10 175.29 1ny7 s TYR 93 N -0.03 1.20 -0.29 5.22 2.02 0.11 -1.05 117.35 124.54 1ny7 s TYR 93 Ca -0.04 -0.53 -0.10 0.00 -0.37 0.00 0.00 57.07 56.03 1ny7 s TYR 93 Cb -0.14 -1.07 -0.04 0.00 -0.40 0.00 0.00 41.96 40.31 1ny7 s TYR 93 CO 0.04 -0.43 0.17 -1.17 -1.57 0.00 0.00 175.55 172.59 1ny7 s LEU 94 N 1.68 3.98 0.11 -1.29 2.96 -0.45 0.12 118.68 125.81 1ny7 s LEU 94 Ca 0.03 -0.16 -0.04 0.00 -0.22 0.00 0.00 54.13 53.74 1ny7 s LEU 94 Cb -0.13 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 1ny7 s LEU 94 CO -0.06 -0.09 0.10 0.00 -1.32 0.00 0.00 176.35 174.98 1ny7 s ARG 95 N 1.71 0.88 0.00 1.98 1.70 -0.09 0.33 118.95 125.46 1ny7 s ARG 95 Ca 0.07 -1.25 0.24 0.00 -0.47 0.00 0.00 55.73 54.32 1ny7 s ARG 95 Cb -0.16 0.28 0.34 0.00 -0.57 0.00 0.00 34.95 34.84 1ny7 s ARG 95 CO 0.09 -0.26 1.30 1.04 -1.08 0.00 0.00 175.30 176.39 1ny7 n GLN 96 N -0.06 0.76 -3.49 3.89 6.02 -1.26 0.15 117.38 123.39 1ny7 n GLN 96 Ca -0.10 -0.55 -0.16 0.00 -0.01 0.00 0.00 57.00 56.18 1ny7 n GLN 96 Cb 0.63 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 30.35 1ny7 n GLN 96 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1ny7 s SER 97 N -2.62 -0.63 0.00 1.08 0.15 -1.26 -3.71 113.70 106.71 1ny7 s SER 97 Ca 0.19 0.50 0.23 0.00 0.70 0.00 0.00 55.95 57.57 1ny7 s SER 97 Cb 0.18 0.56 0.55 0.00 -1.71 0.00 0.00 66.02 65.60 1ny7 s SER 97 CO 0.60 -0.72 1.46 0.23 1.20 0.00 0.00 173.24 176.01 1ny7 n MET 98 N 0.52 2.15 -2.10 5.44 2.81 -1.26 -4.85 117.12 119.84 1ny7 n MET 98 Ca -0.18 -1.73 -0.38 0.00 -1.81 0.00 0.00 57.70 53.60 1ny7 n MET 98 Cb 0.59 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.64 1ny7 n MET 98 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1ny7 s ASN 99 N -1.61 6.03 0.58 7.83 0.01 -1.26 -4.86 114.94 121.65 1ny7 s ASN 99 Ca 0.35 2.50 0.37 0.00 -0.71 0.00 0.00 52.86 55.37 1ny7 s ASN 99 Cb 0.20 -2.62 1.75 0.00 0.41 0.00 0.00 41.25 40.99 1ny7 s ASN 99 CO 0.30 -1.03 2.11 1.55 -1.51 0.00 0.00 177.10 178.52 1ny7 h PRO 100 N 2.13 0.00 0.00 -0.60 0.13 -2.04 -2.47 132.00 129.15 1ny7 h PRO 100 Ca -0.50 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.58 1ny7 h PRO 100 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1ny7 h PRO 100 CO 0.60 0.00 -0.25 0.93 -0.23 0.00 0.00 178.00 179.05 1ny7 h GLU 101 N 0.00 0.00 -6.91 0.86 3.07 -1.97 -3.44 114.58 106.19 1ny7 h GLU 101 Ca 0.00 0.00 -0.48 0.00 -0.50 0.00 0.00 59.36 58.38 1ny7 h GLU 101 Cb 0.30 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.21 1ny7 h GLU 101 CO 0.00 0.25 0.38 -1.12 -1.40 0.00 0.00 179.01 177.13 1ny7 s SER 102 N -6.23 7.08 0.29 1.42 0.01 -0.93 -5.05 113.70 110.29 1ny7 s SER 102 Ca 0.01 1.96 0.03 0.00 1.31 0.00 0.00 55.95 59.26 1ny7 s SER 102 Cb 0.10 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.71 1ny7 s SER 102 CO 0.65 -0.26 0.45 -0.31 0.41 0.00 0.00 173.24 174.18 1ny7 s TYR 103 N -1.61 3.47 0.48 2.43 1.51 -1.26 -4.94 117.35 117.43 1ny7 s TYR 103 Ca 0.53 0.14 -0.22 0.00 -1.01 0.00 0.00 57.07 56.51 1ny7 s TYR 103 Cb -0.21 -1.72 -0.07 0.00 -0.11 0.00 0.00 41.96 39.85 1ny7 s TYR 103 CO 0.27 0.29 1.19 -0.51 -1.11 0.00 0.00 175.55 175.68 1ny7 s ASP 104 N -4.01 5.97 0.08 2.29 1.01 -1.26 -4.61 116.67 116.14 1ny7 s ASP 104 Ca 0.37 2.37 0.17 0.00 0.71 0.00 0.00 52.55 56.16 1ny7 s ASP 104 Cb -0.09 -2.61 -0.12 0.00 1.01 0.00 0.00 42.92 41.12 1ny7 s ASP 104 CO 0.32 -1.06 0.89 0.00 0.21 0.00 0.00 175.17 175.53 1ny7 h ALA 105 N 1.85 0.65 -1.81 5.23 0.00 -0.49 -3.48 119.26 121.21 1ny7 h ALA 105 Ca -0.50 -0.80 0.01 0.00 0.00 0.00 0.00 54.91 53.62 1ny7 h ALA 105 Cb 1.26 0.24 -0.23 0.00 0.00 0.00 0.00 17.79 19.06 1ny7 h ALA 105 CO 0.59 0.88 0.30 0.50 0.00 0.00 0.00 179.25 181.52 1ny7 s ARG 106 N -2.93 0.72 -0.03 0.00 6.06 -1.04 -5.01 118.95 116.72 1ny7 s ARG 106 Ca -0.02 0.67 0.01 0.00 -2.50 0.00 0.00 55.73 53.88 1ny7 s ARG 106 Cb 0.09 0.35 0.02 0.00 0.06 0.00 0.00 34.95 35.46 1ny7 s ARG 106 CO 0.80 -0.13 -0.03 0.95 -2.50 0.00 0.00 175.30 174.40 1ny7 s THR 107 N -0.04 0.36 0.18 4.11 -4.23 -1.26 -1.33 115.64 113.42 1ny7 s THR 107 Ca -0.00 -0.05 0.10 0.00 -1.18 0.00 0.00 61.69 60.55 1ny7 s THR 107 Cb -0.04 -0.40 -0.04 0.00 1.34 0.00 0.00 72.50 73.36 1ny7 s THR 107 CO -0.00 0.17 -0.18 -0.36 -0.54 0.00 0.00 174.62 173.71 1ny7 s PHE 108 N 0.76 2.45 -0.27 3.99 0.08 -0.21 -5.00 117.98 119.77 1ny7 s PHE 108 Ca -0.09 -0.30 -0.03 0.00 0.12 0.00 0.00 56.93 56.64 1ny7 s PHE 108 Cb -0.12 -1.22 0.11 0.00 -0.57 0.00 0.00 43.02 41.23 1ny7 s PHE 108 CO -0.01 0.49 0.21 0.08 -0.10 0.00 0.00 175.22 175.89 1ny7 s VAL 109 N -1.63 -0.24 0.27 -0.44 1.01 -1.26 -0.26 120.40 117.85 1ny7 s VAL 109 Ca 0.22 -0.51 0.10 0.00 0.00 0.00 0.00 61.98 61.78 1ny7 s VAL 109 Cb -0.08 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 1ny7 s VAL 109 CO 0.12 -0.52 0.00 -0.63 0.00 0.00 0.00 175.10 174.07 1ny7 s ILE 110 N 2.24 3.40 -0.38 2.22 1.01 -0.54 -5.01 121.20 124.14 1ny7 s ILE 110 Ca 0.08 -1.91 0.02 0.00 0.00 0.00 0.00 60.65 58.84 1ny7 s ILE 110 Cb -0.15 -2.84 0.18 0.00 0.01 0.00 0.00 42.46 39.66 1ny7 s ILE 110 CO -0.30 -0.36 0.78 -0.55 0.00 0.00 0.00 174.94 174.51 1ny7 s SER 111 N -3.68 -1.11 -0.08 3.58 0.15 -1.26 -1.45 113.70 109.85 1ny7 s SER 111 Ca 0.32 -0.60 -0.06 0.00 0.70 0.00 0.00 55.95 56.31 1ny7 s SER 111 Cb -0.06 1.42 0.03 0.00 -1.71 0.00 0.00 66.02 65.70 1ny7 s SER 111 CO 0.20 -0.12 0.20 0.00 1.20 0.00 0.00 173.24 174.72 1ny7 s GLN 112 N 1.85 0.20 -0.04 5.44 -2.07 -1.26 -5.03 119.66 118.75 1ny7 s GLN 112 Ca 0.16 0.37 -0.39 0.00 -1.82 0.00 0.00 55.36 53.67 1ny7 s GLN 112 Cb -0.01 -0.00 -0.18 0.00 -1.09 0.00 0.00 33.01 31.72 1ny7 s GLN 112 CO -0.10 -0.09 1.29 -2.30 -1.32 0.00 0.00 175.29 172.77 1ny7 n PRO 113 N 3.54 0.56 0.00 9.60 -0.02 -1.26 -4.23 135.00 143.19 1ny7 n PRO 113 Ca -0.19 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1ny7 n PRO 113 Cb 0.56 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 1ny7 n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ny7 n GLY 114 N 2.39 1.84 3.70 -1.23 0.00 -1.26 -4.82 105.19 105.81 1ny7 n GLY 114 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 1ny7 n GLY 114 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ny7 s SER 115 N -4.00 4.96 -0.02 1.61 0.01 -1.26 -2.20 113.70 112.80 1ny7 s SER 115 Ca 0.00 -0.38 -0.26 0.00 1.31 0.00 0.00 55.95 56.61 1ny7 s SER 115 Cb 0.00 -1.11 0.06 0.00 0.21 0.00 0.00 66.02 65.18 1ny7 s SER 115 CO 0.00 0.05 0.59 0.00 0.41 0.00 0.00 173.24 174.28 1ny7 s ALA 116 N -1.91 -1.52 -0.02 1.44 0.00 -0.86 -4.85 121.76 114.04 1ny7 s ALA 116 Ca 0.30 0.99 0.05 0.00 0.00 0.00 0.00 51.96 53.29 1ny7 s ALA 116 Cb -0.09 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 1ny7 s ALA 116 CO 0.21 -0.39 -0.17 -1.64 0.00 0.00 0.00 175.76 173.76 1ny7 s MET 117 N -1.55 1.48 -0.05 0.00 -1.94 -1.26 -0.76 119.30 115.21 1ny7 s MET 117 Ca -0.10 -0.61 0.02 0.00 -1.71 0.00 0.00 55.69 53.29 1ny7 s MET 117 Cb -0.01 -1.39 0.01 0.00 2.01 0.00 0.00 34.83 35.45 1ny7 s MET 117 CO 0.06 0.34 -0.10 -1.17 -0.01 0.00 0.00 175.02 174.14 1ny7 s LEU 118 N -0.30 1.58 -0.07 -0.03 0.20 -0.41 -4.98 118.68 114.68 1ny7 s LEU 118 Ca 0.04 -0.24 0.04 0.00 0.69 0.00 0.00 54.13 54.66 1ny7 s LEU 118 Cb -0.08 -0.69 0.00 0.00 -0.43 0.00 0.00 46.19 44.99 1ny7 s LEU 118 CO -0.00 0.02 -0.19 0.20 -0.29 0.00 0.00 176.35 176.09 1ny7 s ASN 119 N 0.66 2.44 0.16 3.68 -0.87 -1.26 -0.41 114.94 119.34 1ny7 s ASN 119 Ca -0.12 -0.42 -0.22 0.00 -1.57 0.00 0.00 52.86 50.53 1ny7 s ASN 119 Cb -0.15 -0.90 0.06 0.00 -0.02 0.00 0.00 41.25 40.24 1ny7 s ASN 119 CO 0.02 0.14 0.57 0.72 -2.57 0.00 0.00 177.10 175.98 1ny7 s PHE 120 N 0.24 -0.45 0.24 2.20 -0.12 -1.11 -5.04 117.98 113.94 1ny7 s PHE 120 Ca -0.10 0.21 0.05 0.00 -0.05 0.00 0.00 56.93 57.04 1ny7 s PHE 120 Cb -0.15 0.51 -0.05 0.00 -0.63 0.00 0.00 43.02 42.70 1ny7 s PHE 120 CO 0.05 -0.85 -0.05 -1.54 -0.05 0.00 0.00 175.22 172.78 1ny7 s SER 121 N -2.77 2.33 0.06 1.98 1.04 -1.26 -1.36 113.70 113.72 1ny7 s SER 121 Ca 0.02 -1.17 -0.22 0.00 0.48 0.00 0.00 55.95 55.06 1ny7 s SER 121 Cb -0.01 -0.09 0.05 0.00 0.10 0.00 0.00 66.02 66.07 1ny7 s SER 121 CO -0.12 -0.39 0.51 0.72 0.98 0.00 0.00 173.24 174.95 1ny7 s PHE 122 N -3.18 -0.41 -0.02 5.02 -0.71 -0.76 -4.99 117.98 112.94 1ny7 s PHE 122 Ca 0.27 0.39 0.01 0.00 -1.04 0.00 0.00 56.93 56.57 1ny7 s PHE 122 Cb 0.04 0.35 0.01 0.00 -1.21 0.00 0.00 43.02 42.20 1ny7 s PHE 122 CO 0.09 -0.66 -0.05 0.16 -1.34 0.00 0.00 175.22 173.42 1ny7 s ASP 123 N -2.12 0.78 -0.11 1.98 1.47 -1.26 -1.23 116.67 116.19 1ny7 s ASP 123 Ca -0.04 -0.11 -0.30 0.00 1.18 0.00 0.00 52.55 53.28 1ny7 s ASP 123 Cb -0.00 -0.23 -0.03 0.00 -0.34 0.00 0.00 42.92 42.32 1ny7 s ASP 123 CO -0.04 0.01 1.25 -0.63 0.68 0.00 0.00 175.17 176.45 1ny7 s ILE 124 N 0.35 4.23 -0.20 2.11 1.01 0.55 -4.94 121.20 124.30 1ny7 s ILE 124 Ca -0.04 1.52 -0.05 0.00 0.00 0.00 0.00 60.65 62.08 1ny7 s ILE 124 Cb -0.08 -3.98 0.10 0.00 0.01 0.00 0.00 42.46 38.51 1ny7 s ILE 124 CO -0.00 -0.07 0.36 -0.51 0.00 0.00 0.00 174.94 174.72 1ny7 s ILE 125 N 2.88 -0.56 0.00 2.92 1.10 -1.26 -1.17 121.20 125.10 1ny7 s ILE 125 Ca 0.56 0.08 0.00 0.00 -0.51 0.00 0.00 60.65 60.78 1ny7 s ILE 125 Cb -0.24 -0.68 0.00 0.00 0.15 0.00 0.00 42.46 41.69 1ny7 s ILE 125 CO 0.19 -0.02 0.00 0.61 -2.11 0.00 0.00 174.94 173.61 1ny7 n GLY 126 N 5.37 4.22 0.12 1.50 0.00 -0.83 -4.82 105.19 110.75 1ny7 n GLY 126 Ca -0.06 -2.17 0.12 0.00 0.00 0.00 0.00 46.02 43.91 1ny7 n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ny7 h PRO 127 N 0.00 0.00 -0.58 1.61 0.13 -1.79 -2.86 132.00 128.50 1ny7 h PRO 127 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.03 1ny7 h PRO 127 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1ny7 h PRO 127 CO 0.00 0.00 -0.05 -0.97 -0.23 0.00 0.00 178.00 176.75 1ny7 h ASN 128 N 0.00 1.04 0.00 1.44 -0.00 -1.70 -3.41 115.58 112.95 1ny7 h ASN 128 Ca 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 56.30 55.98 1ny7 h ASN 128 Cb 0.89 -0.28 0.00 0.00 -0.00 0.00 0.00 38.32 38.93 1ny7 h ASN 128 CO 0.00 1.12 0.00 -1.20 -0.00 0.00 0.00 177.43 177.35 1ny7 n SER 129 N -4.16 0.00 0.00 1.15 7.64 -1.26 -4.76 113.62 112.23 1ny7 n SER 129 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1ny7 n SER 129 Cb 0.37 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 1ny7 n SER 129 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ny7 n GLY 130 N 0.00 0.72 3.81 0.23 0.00 -1.08 -4.98 105.19 103.89 1ny7 n GLY 130 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1ny7 n GLY 130 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ny7 s PHE 131 N -2.63 3.39 -0.04 1.61 0.08 -1.24 -1.97 117.98 117.19 1ny7 s PHE 131 Ca 0.00 0.31 0.03 0.00 0.12 0.00 0.00 56.93 57.39 1ny7 s PHE 131 Cb 0.00 -1.81 0.00 0.00 -0.57 0.00 0.00 43.02 40.64 1ny7 s PHE 131 CO 0.00 0.60 -0.12 -2.00 -0.10 0.00 0.00 175.22 173.60 1ny7 s GLU 132 N -1.43 1.28 -0.46 0.44 2.12 0.31 -1.55 118.70 119.40 1ny7 s GLU 132 Ca 0.20 -0.40 -0.13 0.00 0.36 0.00 0.00 54.97 55.00 1ny7 s GLU 132 Cb -0.12 -1.15 0.09 0.00 0.26 0.00 0.00 34.13 33.21 1ny7 s GLU 132 CO 0.10 0.14 0.35 0.12 -0.54 0.00 0.00 175.26 175.43 1ny7 s PHE 133 N 0.22 3.30 -0.55 5.30 2.19 -1.26 -1.60 117.98 125.58 1ny7 s PHE 133 Ca -0.05 -1.28 -0.42 0.00 0.33 0.00 0.00 56.93 55.51 1ny7 s PHE 133 Cb -0.10 -3.20 -0.19 0.00 -1.31 0.00 0.00 43.02 38.21 1ny7 s PHE 133 CO 0.01 -0.86 2.19 0.00 1.83 0.00 0.00 175.22 178.39 1ny7 n ALA 134 N 5.08 0.23 -2.98 11.12 0.00 -1.25 -1.08 120.51 131.62 1ny7 n ALA 134 Ca -0.11 0.14 -0.22 0.00 0.00 0.00 0.00 53.44 53.24 1ny7 n ALA 134 Cb 0.43 -2.09 0.03 0.00 0.00 0.00 0.00 19.45 17.82 1ny7 n ALA 134 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ny7 n GLU 135 N 7.56 -4.62 -2.56 0.00 1.02 0.02 -4.87 120.64 117.19 1ny7 n GLU 135 Ca 0.56 0.91 -0.40 0.00 -0.02 0.00 0.00 57.16 58.21 1ny7 n GLU 135 Cb -0.03 -5.75 -0.05 0.00 -0.02 0.00 0.00 31.44 25.59 1ny7 n GLU 135 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ny7 s SER 136 N -2.65 7.30 0.44 1.62 0.15 -0.24 -4.85 113.70 115.46 1ny7 s SER 136 Ca 0.28 2.15 0.30 0.00 0.70 0.00 0.00 55.95 59.38 1ny7 s SER 136 Cb -0.13 -2.62 1.52 0.00 -1.71 0.00 0.00 66.02 63.09 1ny7 s SER 136 CO 0.35 -0.11 1.91 -0.65 1.20 0.00 0.00 173.24 175.95 1ny7 h PRO 137 N 3.70 0.00 0.00 5.44 0.11 -1.90 -2.33 132.00 137.02 1ny7 h PRO 137 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1ny7 h PRO 137 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1ny7 h PRO 137 CO 0.66 0.00 0.00 1.87 -0.21 0.00 0.00 178.00 180.32 1ny7 n TRP 138 N -2.60 0.00 -0.18 0.65 -0.00 -1.26 -2.64 117.44 111.41 1ny7 n TRP 138 Ca -0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 57.50 57.38 1ny7 n TRP 138 Cb 0.12 0.00 0.06 0.00 -0.00 0.00 0.00 31.31 31.49 1ny7 n TRP 138 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1ny7 n ALA 139 N -3.00 4.11 -3.45 5.87 0.00 -1.26 -4.68 120.51 118.11 1ny7 n ALA 139 Ca 0.00 -1.21 -0.18 0.00 0.00 0.00 0.00 53.44 52.05 1ny7 n ALA 139 Cb 0.00 -1.22 0.09 0.00 0.00 0.00 0.00 19.45 18.32 1ny7 n ALA 139 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ny7 n ASN 140 N 0.09 -3.13 -4.55 0.00 3.02 -1.08 -4.98 115.26 104.62 1ny7 n ASN 140 Ca 0.24 -0.59 -0.29 0.00 -0.03 0.00 0.00 54.58 53.91 1ny7 n ASN 140 Cb 0.83 -5.01 0.20 0.00 -0.61 0.00 0.00 39.78 35.19 1ny7 n ASN 140 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1ny7 s GLN 141 N -5.58 -0.08 0.31 3.52 -0.21 -0.88 -4.98 119.66 111.77 1ny7 s GLN 141 Ca 0.15 0.47 0.05 0.00 0.02 0.00 0.00 55.36 56.05 1ny7 s GLN 141 Cb -0.06 -1.68 -0.02 0.00 1.00 0.00 0.00 33.01 32.25 1ny7 s GLN 141 CO 0.72 -3.06 0.18 2.41 -2.12 0.00 0.00 175.29 173.41 1ny7 n THR 142 N -4.40 0.00 -4.13 -0.19 -1.04 -1.26 -3.63 114.28 99.63 1ny7 n THR 142 Ca 0.05 -2.02 -0.07 0.00 -2.04 0.00 0.00 64.05 59.97 1ny7 n THR 142 Cb 0.57 0.86 -0.02 0.00 -1.82 0.00 0.00 70.33 69.92 1ny7 n THR 142 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1ny7 n THR 143 N -0.66 0.00 -4.03 12.58 5.66 -1.24 -0.80 114.28 125.78 1ny7 n THR 143 Ca 0.00 -0.72 -0.31 0.00 -3.05 0.00 0.00 64.05 59.97 1ny7 n THR 143 Cb 0.51 0.29 -0.16 0.00 -1.55 0.00 0.00 70.33 69.42 1ny7 n THR 143 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1ny7 s TRP 144 N -2.12 2.48 -0.05 1.09 0.52 -1.26 -4.38 118.94 115.22 1ny7 s TRP 144 Ca 0.08 -1.56 -0.02 0.00 0.02 0.00 0.00 56.10 54.62 1ny7 s TRP 144 Cb 0.00 -1.70 -0.04 0.00 -1.15 0.00 0.00 33.47 30.59 1ny7 s TRP 144 CO 0.06 -0.75 0.05 0.71 0.02 0.00 0.00 176.95 177.04 1ny7 s TYR 145 N 1.38 3.26 -0.32 -1.98 1.51 0.12 -1.57 117.35 119.76 1ny7 s TYR 145 Ca 0.01 0.23 0.03 0.00 -1.01 0.00 0.00 57.07 56.34 1ny7 s TYR 145 Cb -0.15 -1.78 0.09 0.00 -0.11 0.00 0.00 41.96 40.01 1ny7 s TYR 145 CO -0.10 0.54 0.01 -1.17 -1.11 0.00 0.00 175.55 173.73 1ny7 s LEU 146 N -1.30 4.24 -0.18 -1.29 0.20 0.27 -0.91 118.68 119.71 1ny7 s LEU 146 Ca 0.18 -1.92 -0.18 0.00 0.69 0.00 0.00 54.13 52.90 1ny7 s LEU 146 Cb -0.12 -1.55 -0.04 0.00 -0.43 0.00 0.00 46.19 44.06 1ny7 s LEU 146 CO 0.08 -0.33 0.48 -0.70 -0.29 0.00 0.00 176.35 175.58 1ny7 s GLU 147 N 1.01 4.22 -0.13 1.98 2.12 0.12 -0.55 118.70 127.47 1ny7 s GLU 147 Ca 0.06 0.36 0.02 0.00 0.36 0.00 0.00 54.97 55.77 1ny7 s GLU 147 Cb -0.19 -3.53 -0.00 0.00 0.26 0.00 0.00 34.13 30.67 1ny7 s GLU 147 CO -0.08 -0.05 -0.20 0.00 -0.54 0.00 0.00 175.26 174.39 1ny7 s VAL 149 N 0.55 4.00 -0.29 0.00 1.01 0.61 -1.65 120.40 124.64 1ny7 s VAL 149 Ca -0.12 -0.41 -0.17 0.00 0.00 0.00 0.00 61.98 61.28 1ny7 s VAL 149 Cb -0.17 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 1ny7 s VAL 149 CO 0.04 0.27 0.48 0.00 0.00 0.00 0.00 175.10 175.89 1ny7 s ALA 150 N 1.55 3.55 -0.54 5.51 0.00 0.61 -1.86 121.76 130.58 1ny7 s ALA 150 Ca 0.05 -0.77 0.26 0.00 0.00 0.00 0.00 51.96 51.50 1ny7 s ALA 150 Cb -0.16 -2.89 0.77 0.00 0.00 0.00 0.00 23.12 20.85 1ny7 s ALA 150 CO 0.02 -0.86 1.74 0.00 0.00 0.00 0.00 175.76 176.66 1ny7 h THR 151 N 5.46 0.00 -1.62 0.00 1.03 -1.26 -2.19 112.91 114.34 1ny7 h THR 151 Ca -0.29 -0.57 -0.28 0.00 -0.01 0.00 0.00 66.41 65.26 1ny7 h THR 151 Cb 1.14 1.52 -0.27 0.00 -1.07 0.00 0.00 68.15 69.48 1ny7 h THR 151 CO 0.72 0.00 -0.62 0.21 -0.01 0.00 0.00 175.52 175.81 1ny7 s ASN 152 N -5.01 0.16 0.00 0.00 3.84 -1.26 -4.29 114.94 108.38 1ny7 s ASN 152 Ca 0.08 -1.50 0.00 0.00 0.21 0.00 0.00 52.86 51.65 1ny7 s ASN 152 Cb 0.10 1.02 0.00 0.00 -0.55 0.00 0.00 41.25 41.81 1ny7 s ASN 152 CO 0.58 -0.20 0.88 -0.81 -2.79 0.00 0.00 177.10 174.75 1ny7 n PRO 153 N 4.04 0.00 0.08 0.43 -0.04 -1.26 -0.53 135.00 137.72 1ny7 n PRO 153 Ca 0.13 0.39 0.12 0.00 -0.04 0.00 0.00 63.50 64.10 1ny7 n PRO 153 Cb 0.50 -1.55 0.03 0.00 -0.04 0.00 0.00 33.50 32.43 1ny7 n PRO 153 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ny7 n ARG 154 N -1.38 0.49 -0.10 0.54 5.12 -1.26 -4.33 116.66 115.73 1ny7 n ARG 154 Ca 0.00 0.08 -0.16 0.00 -1.93 0.00 0.00 57.85 55.84 1ny7 n ARG 154 Cb 0.05 -1.74 -0.09 0.00 -1.16 0.00 0.00 32.46 29.52 1ny7 n ARG 154 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1ny7 n GLN 155 N -2.42 0.50 -3.01 5.56 6.02 0.31 -4.64 117.38 119.71 1ny7 n GLN 155 Ca 0.01 0.13 -0.42 0.00 -0.01 0.00 0.00 57.00 56.71 1ny7 n GLN 155 Cb 0.51 -1.38 -0.06 0.00 1.02 0.00 0.00 30.24 30.34 1ny7 n GLN 155 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1ny7 s ILE 156 N -2.40 4.80 -0.18 5.09 1.01 -0.50 0.05 121.20 129.07 1ny7 s ILE 156 Ca -0.28 0.84 -0.18 0.00 0.00 0.00 0.00 60.65 61.03 1ny7 s ILE 156 Cb 0.08 -4.15 -0.14 0.00 0.01 0.00 0.00 42.46 38.26 1ny7 s ILE 156 CO 0.45 -0.35 0.16 -0.61 0.00 0.00 0.00 174.94 174.59 1ny7 h GLN 157 N 8.40 0.00 -3.64 2.79 5.75 -1.45 -3.41 115.11 123.55 1ny7 h GLN 157 Ca -0.25 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.16 1ny7 h GLN 157 Cb 1.10 0.00 -0.15 0.00 1.07 0.00 0.00 27.48 29.50 1ny7 h GLN 157 CO 0.88 0.67 -0.32 1.14 -2.65 0.00 0.00 178.83 178.55 1ny7 s GLN 158 N -2.26 0.84 -0.16 1.69 -2.07 -0.21 -0.53 119.66 116.96 1ny7 s GLN 158 Ca -0.22 -0.81 -0.02 0.00 -1.82 0.00 0.00 55.36 52.49 1ny7 s GLN 158 Cb 0.03 0.35 -0.02 0.00 -1.09 0.00 0.00 33.01 32.29 1ny7 s GLN 158 CO 0.46 -0.28 -0.08 -0.06 -1.32 0.00 0.00 175.29 174.02 1ny7 s PHE 159 N -3.46 2.91 -0.17 9.60 0.08 0.02 -1.18 117.98 125.77 1ny7 s PHE 159 Ca 0.02 -0.65 0.00 0.00 0.12 0.00 0.00 56.93 56.41 1ny7 s PHE 159 Cb 0.03 -1.95 0.01 0.00 -0.57 0.00 0.00 43.02 40.54 1ny7 s PHE 159 CO -0.09 -0.27 -0.16 -2.00 -0.10 0.00 0.00 175.22 172.60 1ny7 s GLU 160 N 0.68 3.15 -0.34 0.44 2.12 0.52 -1.55 118.70 123.72 1ny7 s GLU 160 Ca -0.04 -0.77 -0.12 0.00 0.36 0.00 0.00 54.97 54.40 1ny7 s GLU 160 Cb -0.15 -2.65 -0.01 0.00 0.26 0.00 0.00 34.13 31.57 1ny7 s GLU 160 CO 0.02 -0.10 0.22 0.08 -0.54 0.00 0.00 175.26 174.94 1ny7 s VAL 161 N 1.09 5.10 -0.13 3.70 1.01 -0.04 -0.88 120.40 130.25 1ny7 s VAL 161 Ca -0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 1ny7 s VAL 161 Cb -0.14 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 1ny7 s VAL 161 CO -0.05 -0.00 -0.02 0.20 0.00 0.00 0.00 175.10 175.22 1ny7 s ASN 162 N 1.69 4.97 0.19 3.32 0.01 -0.34 -1.30 114.94 123.49 1ny7 s ASN 162 Ca 0.06 -0.03 0.04 0.00 -0.71 0.00 0.00 52.86 52.22 1ny7 s ASN 162 Cb -0.17 -1.65 -0.05 0.00 0.41 0.00 0.00 41.25 39.79 1ny7 s ASN 162 CO 0.09 0.25 -0.06 -0.04 -1.51 0.00 0.00 177.10 175.83 1ny7 s MET 163 N -0.09 1.21 -0.24 -0.60 -1.94 -0.97 -0.12 119.30 116.56 1ny7 s MET 163 Ca 0.03 -1.57 -0.19 0.00 -1.71 0.00 0.00 55.69 52.25 1ny7 s MET 163 Cb -0.13 -0.67 0.06 0.00 2.01 0.00 0.00 34.83 36.10 1ny7 s MET 163 CO 0.02 0.01 0.62 0.50 -0.01 0.00 0.00 175.02 176.16 1ny7 s ARG 164 N -3.79 0.69 0.24 2.03 3.52 0.63 -1.84 118.95 120.43 1ny7 s ARG 164 Ca 0.23 0.93 -0.29 0.00 -0.13 0.00 0.00 55.73 56.47 1ny7 s ARG 164 Cb 0.04 0.27 -0.09 0.00 -1.56 0.00 0.00 34.95 33.61 1ny7 s ARG 164 CO 0.05 -0.11 0.91 -0.06 -0.81 0.00 0.00 175.30 175.28 1ny7 s PHE 165 N 0.71 3.94 0.57 5.12 2.99 -1.26 -0.36 117.98 129.69 1ny7 s PHE 165 Ca -0.03 1.85 -0.15 0.00 0.00 0.00 0.00 56.93 58.60 1ny7 s PHE 165 Cb -0.05 -2.93 -0.05 0.00 0.00 0.00 0.00 43.02 39.99 1ny7 s PHE 165 CO -0.05 0.44 1.02 0.34 -0.00 0.00 0.00 175.22 176.97 1ny7 s ASP 166 N -1.23 6.20 0.53 1.36 -1.08 -0.30 -4.89 116.67 117.26 1ny7 s ASP 166 Ca 0.41 1.62 0.33 0.00 -0.52 0.00 0.00 52.55 54.39 1ny7 s ASP 166 Cb -0.24 -2.51 1.78 0.00 -1.46 0.00 0.00 42.92 40.49 1ny7 s ASP 166 CO 0.30 -0.88 2.00 -0.65 0.52 0.00 0.00 175.17 176.46 1ny7 h PRO 167 N 0.44 0.00 -0.09 4.34 0.11 -1.97 -1.44 132.00 133.40 1ny7 h PRO 167 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1ny7 h PRO 167 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ny7 h PRO 167 CO 0.60 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.66 1ny7 n ASN 168 N -2.70 0.86 -4.77 -2.05 6.94 -1.26 -4.89 115.26 107.39 1ny7 n ASN 168 Ca -0.02 -1.59 -0.40 0.00 -0.02 0.00 0.00 54.58 52.55 1ny7 n ASN 168 Cb 0.12 -0.06 -0.02 0.00 -2.36 0.00 0.00 39.78 37.46 1ny7 n ASN 168 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1ny7 s PHE 169 N -1.89 3.09 0.04 -2.53 2.19 -0.54 -4.58 117.98 113.76 1ny7 s PHE 169 Ca 0.29 1.49 -0.00 0.00 0.33 0.00 0.00 56.93 59.04 1ny7 s PHE 169 Cb 0.15 -3.55 -0.03 0.00 -1.31 0.00 0.00 43.02 38.28 1ny7 s PHE 169 CO 0.23 -1.57 -0.04 1.03 1.83 0.00 0.00 175.22 176.71 1ny7 s ARG 170 N -1.96 0.50 0.01 10.12 0.52 0.03 -4.99 118.95 123.19 1ny7 s ARG 170 Ca 0.52 -0.96 -0.14 0.00 -0.52 0.00 0.00 55.73 54.63 1ny7 s ARG 170 Cb -0.36 0.11 0.02 0.00 0.52 0.00 0.00 34.95 35.24 1ny7 s ARG 170 CO 0.47 -0.07 0.30 0.08 0.02 0.00 0.00 175.30 176.09 1ny7 s VAL 171 N -2.77 0.07 -0.19 3.52 1.01 -1.26 -1.43 120.40 119.35 1ny7 s VAL 171 Ca -0.03 -0.59 -0.17 0.00 0.00 0.00 0.00 61.98 61.19 1ny7 s VAL 171 Cb -0.00 -0.77 0.05 0.00 0.00 0.00 0.00 36.38 35.66 1ny7 s VAL 171 CO -0.05 -0.32 0.50 0.00 0.00 0.00 0.00 175.10 175.22 1ny7 s ALA 172 N -1.92 -1.23 0.00 5.51 0.00 0.38 -4.98 121.76 119.51 1ny7 s ALA 172 Ca -0.09 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.27 1ny7 s ALA 172 Cb -0.03 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.28 1ny7 s ALA 172 CO 0.01 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 175.94 1ny7 n GLY 173 N 2.80 -1.59 3.32 0.00 0.00 -1.26 -0.02 105.19 108.44 1ny7 n GLY 173 Ca -0.13 -1.49 -0.25 0.00 0.00 0.00 0.00 46.02 44.15 1ny7 n GLY 173 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ny7 s ASN 174 N -2.79 2.75 -0.17 1.61 2.47 -1.26 -1.40 114.94 116.15 1ny7 s ASN 174 Ca 0.00 -0.73 -0.00 0.00 0.42 0.00 0.00 52.86 52.55 1ny7 s ASN 174 Cb 0.00 -0.16 0.00 0.00 -1.45 0.00 0.00 41.25 39.64 1ny7 s ASN 174 CO 0.00 0.07 -0.15 -0.63 -3.72 0.00 0.00 177.10 172.67 1ny7 s ILE 175 N -1.28 2.63 -0.31 -5.21 1.01 0.64 -4.68 121.20 113.99 1ny7 s ILE 175 Ca 0.10 -0.77 -0.28 0.00 0.00 0.00 0.00 60.65 59.69 1ny7 s ILE 175 Cb -0.09 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.24 1ny7 s ILE 175 CO 0.05 0.51 1.80 -0.76 0.00 0.00 0.00 174.94 176.54 1ny7 s LEU 176 N 0.97 3.55 0.24 2.97 1.02 -1.26 -4.79 118.68 121.38 1ny7 s LEU 176 Ca -0.02 1.38 0.08 0.00 0.02 0.00 0.00 54.13 55.59 1ny7 s LEU 176 Cb -0.15 -3.53 -0.04 0.00 0.02 0.00 0.00 46.19 42.50 1ny7 s LEU 176 CO -0.03 -1.66 0.06 -0.04 0.02 0.00 0.00 176.35 174.70 1ny7 s MET 177 N 5.56 2.54 0.93 1.70 -1.94 -1.26 -5.13 119.30 121.70 1ny7 s MET 177 Ca 0.80 -1.21 -0.14 0.00 -1.71 0.00 0.00 55.69 53.43 1ny7 s MET 177 Cb -0.23 -2.35 0.15 0.00 2.01 0.00 0.00 34.83 34.41 1ny7 s MET 177 CO 0.34 0.40 1.18 -1.25 -0.01 0.00 0.00 175.02 175.68 1ny7 s PRO 178 N -3.53 0.99 0.70 2.03 0.04 -1.26 -4.98 135.00 128.99 1ny7 s PRO 178 Ca 0.31 0.08 -0.16 0.00 0.04 0.00 0.00 61.00 61.26 1ny7 s PRO 178 Cb -0.08 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.64 1ny7 s PRO 178 CO 0.21 -2.26 1.24 -2.14 0.04 0.00 0.00 177.00 174.10 1ny7 s PRO 179 N -5.48 2.28 -0.23 0.56 0.02 -1.26 -4.97 135.00 125.92 1ny7 s PRO 179 Ca 0.66 1.90 -0.12 0.00 0.02 0.00 0.00 61.00 63.46 1ny7 s PRO 179 Cb -0.11 -1.83 -0.05 0.00 0.02 0.00 0.00 34.50 32.53 1ny7 s PRO 179 CO 0.53 -1.76 0.21 -0.06 -0.33 0.00 0.00 177.00 175.59 1ny7 s PHE 180 N -1.73 3.34 0.47 6.54 0.40 -1.26 -5.06 117.98 120.68 1ny7 s PHE 180 Ca 0.78 0.33 -0.23 0.00 -0.60 0.00 0.00 56.93 57.20 1ny7 s PHE 180 Cb -0.33 -2.32 -0.07 0.00 0.51 0.00 0.00 43.02 40.81 1ny7 s PHE 180 CO 0.43 0.07 1.24 -2.14 0.70 0.00 0.00 175.22 175.51 1ny7 s PRO 181 N 1.06 3.65 0.39 0.24 0.02 -1.26 -4.95 135.00 134.15 1ny7 s PRO 181 Ca 0.10 1.96 -0.26 0.00 0.02 0.00 0.00 61.00 62.82 1ny7 s PRO 181 Cb -0.14 -2.44 -0.09 0.00 0.02 0.00 0.00 34.50 31.85 1ny7 s PRO 181 CO 0.05 -0.69 1.29 -0.51 -0.33 0.00 0.00 177.00 176.81 1ny7 s LEU 182 N -3.02 4.25 -0.44 -5.54 1.43 -1.26 -4.94 118.68 109.16 1ny7 s LEU 182 Ca 0.64 2.64 0.07 0.00 -1.03 0.00 0.00 54.13 56.45 1ny7 s LEU 182 Cb -0.33 -3.87 0.23 0.00 0.03 0.00 0.00 46.19 42.24 1ny7 s LEU 182 CO 0.41 -0.78 0.61 -0.24 0.23 0.00 0.00 176.35 176.57 1ny7 n SER 183 N 0.24 -1.21 -4.77 2.29 2.88 -1.26 -5.10 113.62 106.68 1ny7 n SER 183 Ca 0.03 -2.82 -0.40 0.00 -1.33 0.00 0.00 58.87 54.34 1ny7 n SER 183 Cb 0.43 0.33 -0.01 0.00 -0.75 0.00 0.00 64.21 64.21 1ny7 n SER 183 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1ny7 s THR 184 N -0.20 2.55 -0.16 2.46 -4.23 -1.26 -4.43 115.64 110.37 1ny7 s THR 184 Ca 0.33 0.53 -0.35 0.00 -1.18 0.00 0.00 61.69 61.03 1ny7 s THR 184 Cb 0.14 -3.33 -0.12 0.00 1.34 0.00 0.00 72.50 70.53 1ny7 s THR 184 CO -0.16 0.11 1.93 1.21 -0.54 0.00 0.00 174.62 177.18 1ny7 n GLU 185 N 0.51 1.88 -1.68 3.99 2.13 -1.26 -4.89 120.64 121.33 1ny7 n GLU 185 Ca 0.01 0.66 -0.42 0.00 0.66 0.00 0.00 57.16 58.07 1ny7 n GLU 185 Cb 0.42 -2.59 -0.03 0.00 0.27 0.00 0.00 31.44 29.51 1ny7 n GLU 185 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1ny7 n THR 186 N 5.54 0.58 -0.98 6.31 5.66 -1.26 -4.95 114.28 125.18 1ny7 n THR 186 Ca 0.26 -0.10 -0.30 0.00 -3.05 0.00 0.00 64.05 60.86 1ny7 n THR 186 Cb 0.27 -2.22 0.16 0.00 -1.55 0.00 0.00 70.33 66.99 1ny7 n THR 186 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 175.07 169.18 1ny7 s PRO 187 N 3.63 1.02 0.02 1.09 0.02 -1.26 -4.94 135.00 134.58 1ny7 s PRO 187 Ca 0.86 1.08 0.26 0.00 0.02 0.00 0.00 61.00 63.21 1ny7 s PRO 187 Cb -0.46 -1.76 1.09 0.00 0.02 0.00 0.00 34.50 33.39 1ny7 s PRO 187 CO 0.40 -2.48 1.83 -0.35 -0.33 0.00 0.00 177.00 176.07 1ny7 n PRO 188 N -4.08 0.02 0.00 5.54 -0.04 -1.26 -5.32 135.00 129.86 1ny7 n PRO 188 Ca 0.08 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1ny7 n PRO 188 Cb 0.54 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 1ny7 n PRO 188 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93