#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s7f s LEU -6 N 0.00 0.63 -0.20 0.99 1.43 -1.26 -4.77 118.68 115.50 1s7f s LEU -6 Ca 0.00 1.39 -0.15 0.00 -1.03 0.00 0.00 54.13 54.34 1s7f s LEU -6 Cb 0.00 -3.25 0.06 0.00 0.03 0.00 0.00 46.19 43.03 1s7f s LEU -6 CO 0.00 -4.28 0.52 0.54 0.23 0.00 0.00 176.35 173.36 1s7f s VAL -5 N -2.49 -0.01 0.17 -1.59 0.11 0.11 -4.92 120.40 111.78 1s7f s VAL -5 Ca 0.68 0.03 -0.32 0.00 -2.93 0.00 0.00 61.98 59.45 1s7f s VAL -5 Cb -0.24 -0.74 -0.10 0.00 -1.53 0.00 0.00 36.38 33.77 1s7f s VAL -5 CO 0.64 0.01 1.61 -2.16 -3.33 0.00 0.00 175.10 171.87 1s7f s PRO -4 N 0.90 4.19 -0.33 1.54 0.04 -1.26 -0.93 135.00 139.14 1s7f s PRO -4 Ca -0.05 2.42 -0.00 0.00 0.04 0.00 0.00 61.00 63.41 1s7f s PRO -4 Cb -0.05 -3.16 0.14 0.00 0.04 0.00 0.00 34.50 31.46 1s7f s PRO -4 CO -0.08 -0.65 0.25 1.03 0.04 0.00 0.00 177.00 177.60 1s7f s ARG -3 N 1.23 0.46 2.81 4.56 1.81 0.19 -4.90 118.95 125.11 1s7f s ARG -3 Ca 0.71 -0.83 0.00 0.00 -1.72 0.00 0.00 55.73 53.90 1s7f s ARG -3 Cb -0.45 -1.00 0.00 0.00 -0.45 0.00 0.00 34.95 33.05 1s7f s ARG -3 CO 0.31 -1.14 0.00 0.41 -0.68 0.00 0.00 175.30 174.21 1s7f n GLY -2 N 4.57 0.08 0.01 -3.53 0.00 -1.26 -2.35 105.19 102.71 1s7f n GLY -2 Ca 0.06 -0.98 0.04 0.00 0.00 0.00 0.00 46.02 45.14 1s7f n GLY -2 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1s7f n SER -1 N -1.73 0.04 -4.73 1.61 2.88 -1.26 -4.59 113.62 105.84 1s7f n SER -1 Ca 0.00 0.51 -0.39 0.00 -1.33 0.00 0.00 58.87 57.66 1s7f n SER -1 Cb 0.00 -0.52 -0.05 0.00 -0.75 0.00 0.00 64.21 62.89 1s7f n SER -1 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1s7f s HIS 0 N -3.03 3.57 -0.85 0.66 4.02 -0.99 -5.01 115.29 113.66 1s7f s HIS 0 Ca 0.04 1.10 -0.17 0.00 1.02 0.00 0.00 55.06 57.05 1s7f s HIS 0 Cb 0.05 -2.67 0.17 0.00 -1.02 0.00 0.00 32.58 29.11 1s7f s HIS 0 CO 0.15 0.17 0.92 1.41 1.02 0.00 0.00 174.74 178.41 1s7f s MET 1 N 0.56 3.54 0.30 1.40 1.75 -1.26 0.54 119.30 126.13 1s7f s MET 1 Ca 0.32 -2.02 -0.02 0.00 -1.25 0.00 0.00 55.69 52.72 1s7f s MET 1 Cb -0.17 -4.63 -0.04 0.00 2.84 0.00 0.00 34.83 32.83 1s7f s MET 1 CO 0.15 -1.54 0.53 0.08 -0.65 0.00 0.00 175.02 173.59 1s7f s VAL 2 N 1.59 5.08 -0.26 10.11 1.01 -0.11 -4.66 120.40 133.17 1s7f s VAL 2 Ca 0.24 -0.22 -0.15 0.00 0.00 0.00 0.00 61.98 61.85 1s7f s VAL 2 Cb -0.09 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1s7f s VAL 2 CO -0.07 -0.41 0.39 -0.70 0.00 0.00 0.00 175.10 174.30 1s7f s GLU 3 N -3.86 4.05 0.13 2.72 2.12 -1.26 0.05 118.70 122.65 1s7f s GLU 3 Ca 0.41 0.10 0.08 0.00 0.36 0.00 0.00 54.97 55.92 1s7f s GLU 3 Cb -0.10 -3.63 -0.04 0.00 0.26 0.00 0.00 34.13 30.62 1s7f s GLU 3 CO 0.33 -0.24 -0.19 0.96 -0.54 0.00 0.00 175.26 175.59 1s7f s ILE 4 N 1.94 1.68 -0.22 -3.70 -4.36 -1.26 -1.16 121.20 114.13 1s7f s ILE 4 Ca 0.16 -1.72 0.02 0.00 -0.26 0.00 0.00 60.65 58.85 1s7f s ILE 4 Cb -0.16 -1.66 0.04 0.00 1.25 0.00 0.00 42.46 41.94 1s7f s ILE 4 CO 0.09 -0.22 -0.15 -0.63 0.24 0.00 0.00 174.94 174.27 1s7f s ILE 5 N -1.68 2.03 0.55 8.37 1.01 0.55 -4.95 121.20 127.08 1s7f s ILE 5 Ca 0.10 -1.23 -0.22 0.00 0.00 0.00 0.00 60.65 59.30 1s7f s ILE 5 Cb -0.07 -2.00 -0.05 0.00 0.01 0.00 0.00 42.46 40.34 1s7f s ILE 5 CO 0.05 0.25 1.37 -2.84 0.00 0.00 0.00 174.94 173.77 1s7f s PRO 6 N 1.23 3.14 0.00 2.79 0.02 -1.26 -0.47 135.00 140.45 1s7f s PRO 6 Ca -0.02 2.27 0.00 0.00 0.02 0.00 0.00 61.00 63.28 1s7f s PRO 6 Cb -0.16 -2.27 0.00 0.00 0.02 0.00 0.00 34.50 32.08 1s7f s PRO 6 CO -0.09 -1.20 0.00 0.28 -0.33 0.00 0.00 177.00 175.66 1s7f n VAL 7 N -1.01 0.00 -3.18 3.83 0.31 -0.83 -4.80 118.33 112.64 1s7f n VAL 7 Ca 0.10 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.42 1s7f n VAL 7 Cb 0.45 -1.08 0.00 0.00 -0.91 0.00 0.00 33.84 32.30 1s7f n VAL 7 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1s7f n SER 8 N -2.75 -0.38 0.26 4.52 3.41 -0.58 -4.93 113.62 113.17 1s7f n SER 8 Ca 0.00 -1.26 0.13 0.00 -0.26 0.00 0.00 58.87 57.48 1s7f n SER 8 Cb 0.39 0.63 0.68 0.00 -0.26 0.00 0.00 64.21 65.65 1s7f n SER 8 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1s7f h THR 9 N 1.17 0.47 0.00 6.66 1.35 -2.03 -3.17 112.91 117.36 1s7f h THR 9 Ca -0.06 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 1s7f h THR 9 Cb 0.21 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1s7f h THR 9 CO 0.07 0.13 -0.32 0.35 -0.25 0.00 0.00 175.52 175.50 1s7f n THR 10 N -3.48 0.00 -4.83 6.82 -2.24 -1.26 -4.95 114.28 104.34 1s7f n THR 10 Ca -0.01 -0.35 -0.30 0.00 -2.27 0.00 0.00 64.05 61.12 1s7f n THR 10 Cb 0.29 0.99 -0.14 0.00 -2.10 0.00 0.00 70.33 69.37 1s7f n THR 10 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1s7f s LEU 11 N -2.32 2.20 -0.04 3.22 1.43 -1.20 0.56 118.68 122.53 1s7f s LEU 11 Ca 0.02 -0.61 -0.30 0.00 -1.03 0.00 0.00 54.13 52.21 1s7f s LEU 11 Cb 0.05 -1.28 0.08 0.00 0.03 0.00 0.00 46.19 45.06 1s7f s LEU 11 CO 0.26 0.25 0.71 -1.83 0.23 0.00 0.00 176.35 175.97 1s7f s GLU 12 N -1.36 1.03 -0.14 1.70 -1.05 -0.79 -1.52 118.70 116.57 1s7f s GLU 12 Ca 0.12 0.16 -0.10 0.00 -0.15 0.00 0.00 54.97 55.01 1s7f s GLU 12 Cb -0.10 0.49 -0.05 0.00 -0.44 0.00 0.00 34.13 34.03 1s7f s GLU 12 CO 0.03 -0.34 0.19 -0.51 0.95 0.00 0.00 175.26 175.57 1s7f s LEU 13 N -1.37 4.33 -0.06 1.83 1.43 0.38 -1.30 118.68 123.91 1s7f s LEU 13 Ca -0.09 0.46 0.04 0.00 -1.03 0.00 0.00 54.13 53.51 1s7f s LEU 13 Cb -0.00 -2.17 0.00 0.00 0.03 0.00 0.00 46.19 44.05 1s7f s LEU 13 CO 0.06 0.29 -0.18 -0.13 0.23 0.00 0.00 176.35 176.62 1s7f s ARG 14 N -0.42 2.10 0.28 1.70 0.52 -0.38 -0.33 118.95 122.42 1s7f s ARG 14 Ca 0.14 -0.65 -0.30 0.00 -0.52 0.00 0.00 55.73 54.40 1s7f s ARG 14 Cb -0.12 -1.73 -0.11 0.00 0.52 0.00 0.00 34.95 33.50 1s7f s ARG 14 CO 0.03 0.19 1.62 0.00 0.02 0.00 0.00 175.30 177.17 1s7f s ALA 15 N 0.23 3.78 0.29 2.13 0.00 -0.31 0.72 121.76 128.59 1s7f s ALA 15 Ca -0.09 1.58 -0.30 0.00 0.00 0.00 0.00 51.96 53.15 1s7f s ALA 15 Cb -0.14 -3.66 -0.13 0.00 0.00 0.00 0.00 23.12 19.19 1s7f s ALA 15 CO 0.04 -0.98 1.34 0.00 0.00 0.00 0.00 175.76 176.16 1s7f n ALA 16 N 2.46 1.14 -2.49 0.00 0.00 0.21 -4.77 120.51 117.07 1s7f n ALA 16 Ca 0.09 0.39 -0.15 0.00 0.00 0.00 0.00 53.44 53.77 1s7f n ALA 16 Cb 0.37 -2.26 -0.11 0.00 0.00 0.00 0.00 19.45 17.46 1s7f n ALA 16 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1s7f s ASP 17 N -0.00 1.60 0.54 0.00 2.15 -1.26 -4.85 116.67 114.85 1s7f s ASP 17 Ca 0.62 -0.81 0.24 0.00 0.43 0.00 0.00 52.55 53.03 1s7f s ASP 17 Cb -0.62 -0.01 1.43 0.00 -0.30 0.00 0.00 42.92 43.42 1s7f s ASP 17 CO 0.55 -0.23 2.06 -0.33 -0.17 0.00 0.00 175.17 177.06 1s7f h GLU 18 N 3.56 0.00 0.00 4.34 5.08 -1.94 -0.26 114.58 125.35 1s7f h GLU 18 Ca -0.38 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1s7f h GLU 18 Cb 1.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 1s7f h GLU 18 CO 0.52 0.00 -0.01 0.66 -1.00 0.00 0.00 179.01 179.18 1s7f h SER 19 N 0.00 0.00 0.97 1.42 4.64 -2.00 -1.24 113.55 117.34 1s7f h SER 19 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1s7f h SER 19 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1s7f h SER 19 CO -0.00 0.01 -0.11 1.41 -0.87 0.00 0.00 176.83 177.27 1s7f n HIS 20 N -3.29 0.14 -0.07 4.77 8.25 -0.11 -4.35 115.22 120.56 1s7f n HIS 20 Ca -0.02 0.04 -0.07 0.00 -0.26 0.00 0.00 57.72 57.41 1s7f n HIS 20 Cb 0.12 -0.52 -0.01 0.00 1.12 0.00 0.00 29.99 30.71 1s7f n HIS 20 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1s7f h VAL 21 N 0.00 0.80 0.36 1.59 2.07 -1.35 0.81 116.25 120.53 1s7f h VAL 21 Ca 0.00 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1s7f h VAL 21 Cb 0.54 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1s7f h VAL 21 CO 0.00 0.02 -0.27 -0.65 0.02 0.00 0.00 177.57 176.68 1s7f h PRO 22 N 0.08 -0.61 -0.82 1.57 0.11 -1.81 0.27 132.00 130.79 1s7f h PRO 22 Ca 0.13 0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.26 1s7f h PRO 22 Cb 0.18 0.14 -0.04 0.00 0.11 0.00 0.00 31.00 31.39 1s7f h PRO 22 CO -0.23 -0.41 0.41 0.00 -0.21 0.00 0.00 178.00 177.57 1s7f h ALA 23 N -0.07 1.06 -0.74 -0.75 0.00 -1.83 -2.02 119.26 114.91 1s7f h ALA 23 Ca -0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1s7f h ALA 23 Cb 0.55 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1s7f h ALA 23 CO -0.00 0.61 0.34 1.25 0.00 0.00 0.00 179.25 181.44 1s7f h LEU 24 N 1.16 0.97 -0.69 0.00 5.85 -0.63 -0.31 115.31 121.66 1s7f h LEU 24 Ca 0.28 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1s7f h LEU 24 Cb 0.10 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 1s7f h LEU 24 CO -0.04 0.83 0.43 -0.74 -0.34 0.00 0.00 178.44 178.59 1s7f h HIS 25 N 1.05 0.90 -0.47 1.25 2.76 0.18 -0.53 115.15 120.29 1s7f h HIS 25 Ca 0.25 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.38 1s7f h HIS 25 Cb 0.14 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 28.78 1s7f h HIS 25 CO 0.01 0.59 0.12 1.96 -1.30 0.00 0.00 177.93 179.32 1s7f h GLN 26 N 0.94 0.75 -0.94 5.26 1.08 -0.94 -0.17 115.11 121.09 1s7f h GLN 26 Ca 0.25 -0.18 0.03 0.00 -1.45 0.00 0.00 58.65 57.31 1s7f h GLN 26 Cb -0.06 -0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.22 1s7f h GLN 26 CO -0.05 0.73 0.62 1.25 -0.95 0.00 0.00 178.83 180.43 1s7f h LEU 27 N 0.63 1.03 -0.55 1.46 5.85 -0.65 -1.63 115.31 121.44 1s7f h LEU 27 Ca 0.15 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.73 1s7f h LEU 27 Cb 0.32 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1s7f h LEU 27 CO 0.00 0.71 -0.25 0.58 -0.34 0.00 0.00 178.44 179.13 1s7f h VAL 28 N 1.19 1.27 0.13 1.05 2.07 -0.33 -2.90 116.25 118.74 1s7f h VAL 28 Ca 0.37 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.49 1s7f h VAL 28 Cb 0.00 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1s7f h VAL 28 CO -0.11 0.48 -0.13 -0.07 0.02 0.00 0.00 177.57 177.75 1s7f h LEU 29 N 0.77 -0.34 -1.61 2.57 4.07 -0.35 0.13 115.31 120.54 1s7f h LEU 29 Ca 0.09 0.03 0.26 0.00 0.08 0.00 0.00 57.88 58.35 1s7f h LEU 29 Cb 0.81 0.12 -0.07 0.00 1.08 0.00 0.00 40.66 42.60 1s7f h LEU 29 CO 0.07 -0.20 0.68 0.11 -1.08 0.00 0.00 178.44 178.02 1s7f h LYS 30 N -0.29 0.26 -0.13 1.13 1.57 -1.24 -1.96 116.57 115.91 1s7f h LYS 30 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1s7f h LYS 30 Cb 0.27 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1s7f h LYS 30 CO -0.03 0.17 0.00 0.09 -0.57 0.00 0.00 179.45 179.11 1s7f n ASN 31 N -4.46 2.15 -0.32 0.86 3.02 -1.06 -4.77 115.26 110.68 1s7f n ASN 31 Ca 0.23 -1.69 0.15 0.00 -0.03 0.00 0.00 54.58 53.24 1s7f n ASN 31 Cb 0.90 -0.08 0.34 0.00 -0.61 0.00 0.00 39.78 40.34 1s7f n ASN 31 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 1s7f h LYS 32 N 1.30 0.41 -0.69 3.52 2.10 0.07 -1.54 116.57 121.75 1s7f h LYS 32 Ca 0.00 -0.02 0.15 0.00 -2.00 0.00 0.00 60.65 58.77 1s7f h LYS 32 Cb 0.49 -0.09 -0.12 0.00 -0.90 0.00 0.00 32.23 31.60 1s7f h LYS 32 CO 0.00 0.27 -0.07 0.00 -2.00 0.00 0.00 179.45 177.66 1s7f h ALA 33 N 1.73 0.60 0.00 0.07 0.00 -1.86 -2.17 119.26 117.64 1s7f h ALA 33 Ca 0.60 0.24 -0.22 0.00 0.00 0.00 0.00 54.91 55.52 1s7f h ALA 33 Cb 1.17 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 19.36 1s7f h ALA 33 CO -0.53 -0.42 -1.88 -2.67 0.00 0.00 0.00 179.25 173.75 1s7f n TRP 34 N -5.38 0.48 -0.31 0.00 4.27 -0.93 -4.15 117.44 111.42 1s7f n TRP 34 Ca 0.10 0.16 0.02 0.00 -3.89 0.00 0.00 57.50 53.90 1s7f n TRP 34 Cb 0.39 -0.97 0.16 0.00 -1.36 0.00 0.00 31.31 29.53 1s7f n TRP 34 CO 0.00 0.00 0.00 -0.07 -2.29 0.00 0.00 177.69 175.33 1s7f h LEU 35 N 0.00 0.80 -1.94 5.67 3.38 -1.05 -1.60 115.31 120.56 1s7f h LEU 35 Ca -0.28 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1s7f h LEU 35 Cb 1.76 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.38 1s7f h LEU 35 CO 0.04 0.48 0.00 1.56 0.09 0.00 0.00 178.44 180.61 1s7f h GLN 36 N 0.92 0.00 -0.01 1.13 4.20 -1.56 0.24 115.11 120.03 1s7f h GLN 36 Ca 0.40 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.11 1s7f h GLN 36 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1s7f h GLN 36 CO -0.21 0.00 -0.11 1.04 -0.67 0.00 0.00 178.83 178.88 1s7f n GLN 37 N -2.52 1.22 -4.48 1.46 1.13 -0.60 -4.84 117.38 108.73 1s7f n GLN 37 Ca -0.02 -0.67 -0.24 0.00 -1.94 0.00 0.00 57.00 54.13 1s7f n GLN 37 Cb 0.05 -1.49 -0.10 0.00 0.11 0.00 0.00 30.24 28.81 1s7f n GLN 37 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1s7f s SER 38 N -2.25 3.40 0.00 1.08 1.04 0.85 -5.00 113.70 112.82 1s7f s SER 38 Ca 0.32 -1.14 0.23 0.00 0.48 0.00 0.00 55.95 55.85 1s7f s SER 38 Cb 0.20 -0.28 1.08 0.00 0.10 0.00 0.00 66.02 67.12 1s7f s SER 38 CO 0.42 -0.16 1.76 0.18 0.98 0.00 0.00 173.24 176.42 1s7f n LEU 39 N -0.67 0.00 -0.40 2.42 4.77 -1.26 -4.03 117.00 117.83 1s7f n LEU 39 Ca -0.05 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1s7f n LEU 39 Cb 0.62 -0.40 0.01 0.00 -2.33 0.00 0.00 43.42 41.33 1s7f n LEU 39 CO 0.40 -0.09 0.34 0.47 -1.33 0.00 0.00 177.39 177.19 1s7f n ASP 40 N -1.40 0.87 -3.15 -1.43 8.00 -1.26 -4.67 116.55 113.50 1s7f n ASP 40 Ca 0.08 -2.02 0.05 0.00 0.71 0.00 0.00 54.79 53.61 1s7f n ASP 40 Cb 0.23 -0.36 -0.02 0.00 -0.02 0.00 0.00 41.12 40.94 1s7f n ASP 40 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1s7f s TRP 41 N -1.33 -0.02 0.00 1.24 -0.11 -1.26 -4.88 118.94 112.59 1s7f s TRP 41 Ca 0.02 0.02 0.00 0.00 1.22 0.00 0.00 56.10 57.36 1s7f s TRP 41 Cb 0.01 0.01 0.00 0.00 -1.50 0.00 0.00 33.47 31.99 1s7f s TRP 41 CO 0.01 -0.01 0.02 -2.30 -4.62 0.00 0.00 176.95 170.05 1s7f n PRO 42 N 5.25 0.00 0.00 5.86 -0.02 -1.26 -4.66 135.00 140.16 1s7f n PRO 42 Ca -0.09 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 1s7f n PRO 42 Cb 0.55 -0.27 0.00 0.00 -0.02 0.00 0.00 33.50 33.76 1s7f n PRO 42 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1s7f n THR 46 N -0.06 0.00 -1.05 3.45 -1.04 -1.26 -5.00 114.28 109.31 1s7f n THR 46 Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.72 1s7f n THR 46 Cb 0.00 0.00 0.20 0.00 -1.82 0.00 0.00 70.33 68.71 1s7f n THR 46 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1s7f s SER 47 N 1.89 2.03 0.40 8.00 1.04 -1.26 -4.87 113.70 120.92 1s7f s SER 47 Ca 0.00 1.14 0.17 0.00 0.48 0.00 0.00 55.95 57.74 1s7f s SER 47 Cb 0.00 -1.77 0.84 0.00 0.10 0.00 0.00 66.02 65.18 1s7f s SER 47 CO 0.00 -3.50 1.85 -0.61 0.98 0.00 0.00 173.24 171.96 1s7f h GLN 48 N -2.14 0.00 0.00 4.02 4.15 -1.99 -2.35 115.11 116.80 1s7f h GLN 48 Ca -0.55 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 58.76 1s7f h GLN 48 Cb 1.33 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.01 1s7f h GLN 48 CO 0.54 0.33 -0.53 0.93 -1.93 0.00 0.00 178.83 178.17 1s7f h GLU 49 N 0.00 0.00 -0.12 1.69 4.39 -1.98 0.17 114.58 118.73 1s7f h GLU 49 Ca -0.00 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.61 1s7f h GLU 49 Cb 0.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1s7f h GLU 49 CO 0.04 0.53 -0.25 0.93 -1.16 0.00 0.00 179.01 179.10 1s7f h GLU 50 N 0.00 0.39 -0.44 2.33 4.39 -1.79 -1.15 114.58 118.31 1s7f h GLU 50 Ca -0.01 -0.25 0.01 0.00 0.34 0.00 0.00 59.36 59.46 1s7f h GLU 50 Cb 1.02 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.67 1s7f h GLU 50 CO 0.07 0.85 0.27 1.15 -1.16 0.00 0.00 179.01 180.19 1s7f h THR 51 N -0.02 1.07 -0.57 1.13 2.02 -1.24 -1.37 112.91 113.93 1s7f h THR 51 Ca 0.00 -0.19 0.04 0.00 0.77 0.00 0.00 66.41 67.04 1s7f h THR 51 Cb 0.84 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.69 1s7f h THR 51 CO 0.06 0.10 0.32 -0.09 0.37 0.00 0.00 175.52 176.28 1s7f h ARG 52 N 0.54 0.61 -0.38 6.66 2.43 -0.53 0.31 114.38 124.02 1s7f h ARG 52 Ca 0.17 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.33 1s7f h ARG 52 Cb -0.01 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.37 1s7f h ARG 52 CO -0.07 0.40 0.19 -0.22 -1.51 0.00 0.00 179.97 178.76 1s7f h LYS 53 N 0.62 0.38 -0.32 0.20 3.64 -0.88 0.19 116.57 120.40 1s7f h LYS 53 Ca 0.24 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1s7f h LYS 53 Cb 0.09 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1s7f h LYS 53 CO -0.13 0.25 0.21 1.25 -2.27 0.00 0.00 179.45 178.75 1s7f h HIS 54 N 0.39 0.39 -0.36 1.91 2.76 -0.57 0.28 115.15 119.95 1s7f h HIS 54 Ca 0.16 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.32 1s7f h HIS 54 Cb 0.07 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 28.89 1s7f h HIS 54 CO -0.10 0.24 0.16 0.28 -1.30 0.00 0.00 177.93 177.21 1s7f h VAL 55 N 0.42 1.18 -0.53 5.26 2.07 -0.68 -1.11 116.25 122.87 1s7f h VAL 55 Ca 0.12 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1s7f h VAL 55 Cb -0.04 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1s7f h VAL 55 CO -0.03 0.20 0.30 1.56 0.02 0.00 0.00 177.57 179.61 1s7f h GLN 56 N 0.44 0.73 -0.61 1.57 4.20 -0.78 0.49 115.11 121.14 1s7f h GLN 56 Ca 0.12 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.77 1s7f h GLN 56 Cb 0.16 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 1s7f h GLN 56 CO -0.01 0.55 0.40 0.78 -0.67 0.00 0.00 178.83 179.88 1s7f h GLY 57 N 0.70 0.86 1.32 3.46 0.00 -0.68 -2.19 103.07 106.55 1s7f h GLY 57 Ca 0.19 -0.31 -0.11 0.00 0.00 0.00 0.00 47.33 47.10 1s7f h GLY 57 CO -0.03 0.30 -0.18 3.43 0.00 0.00 0.00 176.54 180.05 1s7f h ASN 58 N 0.81 0.79 -0.89 0.19 2.35 -0.77 -2.42 115.58 115.64 1s7f h ASN 58 Ca 0.23 -0.27 0.04 0.00 -0.55 0.00 0.00 56.30 55.75 1s7f h ASN 58 Cb -0.07 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.03 1s7f h ASN 58 CO -0.06 0.97 0.57 0.40 -1.65 0.00 0.00 177.43 177.66 1s7f h ILE 59 N 0.70 1.13 0.08 2.81 2.04 -0.61 0.33 117.51 123.98 1s7f h ILE 59 Ca 0.10 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1s7f h ILE 59 Cb 0.69 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1s7f h ILE 59 CO 0.05 0.20 -0.08 -0.07 0.00 0.00 0.00 178.15 178.25 1s7f h LEU 60 N 1.10 -0.23 -0.85 1.44 3.38 -1.00 -0.24 115.31 118.92 1s7f h LEU 60 Ca 0.36 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1s7f h LEU 60 Cb 0.04 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1s7f h LEU 60 CO -0.13 -0.13 0.55 -0.07 0.09 0.00 0.00 178.44 178.75 1s7f h LEU 61 N -0.19 0.99 -0.04 1.67 3.38 -1.18 -1.64 115.31 118.30 1s7f h LEU 61 Ca 0.01 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1s7f h LEU 61 Cb 0.18 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1s7f h LEU 61 CO -0.03 0.73 0.02 -0.74 0.09 0.00 0.00 178.44 178.51 1s7f h HIS 62 N 1.16 0.06 -0.24 1.13 2.76 0.00 0.95 115.15 120.97 1s7f h HIS 62 Ca 0.31 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.44 1s7f h HIS 62 Cb -0.11 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 28.82 1s7f h HIS 62 CO -0.01 0.13 -0.04 1.96 -1.30 0.00 0.00 177.93 178.67 1s7f h GLN 63 N -0.03 0.36 -0.00 5.26 4.20 -0.93 -2.64 115.11 121.32 1s7f h GLN 63 Ca 0.02 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1s7f h GLN 63 Cb 0.09 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1s7f h GLN 63 CO -0.00 0.42 -0.11 0.54 -0.67 0.00 0.00 178.83 179.01 1s7f n ARG 64 N -4.31 0.73 -1.13 1.46 1.74 -0.63 -4.93 116.66 109.59 1s7f n ARG 64 Ca 0.00 -0.26 -0.05 0.00 -0.77 0.00 0.00 57.85 56.78 1s7f n ARG 64 Cb 0.23 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.16 1s7f n ARG 64 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s7f n GLY 65 N 1.27 0.74 0.11 -0.13 0.00 -0.55 -4.91 105.19 101.72 1s7f n GLY 65 Ca 0.15 -0.79 0.12 0.00 0.00 0.00 0.00 46.02 45.49 1s7f n GLY 65 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1s7f h TYR 66 N 0.00 0.00 -2.43 1.61 0.05 -1.11 -3.44 116.97 111.65 1s7f h TYR 66 Ca -0.09 0.00 0.12 0.00 0.05 0.00 0.00 58.73 58.81 1s7f h TYR 66 Cb 0.32 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.03 1s7f h TYR 66 CO 0.14 0.00 0.48 0.00 -1.05 0.00 0.00 178.16 177.72 1s7f n ALA 67 N -2.06 -2.19 -3.09 3.88 0.00 -1.16 -1.71 120.51 114.17 1s7f n ALA 67 Ca 0.01 -0.87 -0.12 0.00 0.00 0.00 0.00 53.44 52.47 1s7f n ALA 67 Cb 0.51 0.50 -0.11 0.00 0.00 0.00 0.00 19.45 20.36 1s7f n ALA 67 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1s7f s LYS 68 N -2.04 0.37 -0.23 0.00 -0.14 -0.64 -3.32 119.74 113.73 1s7f s LYS 68 Ca 0.19 -0.12 -0.02 0.00 -1.36 0.00 0.00 55.97 54.65 1s7f s LYS 68 Cb -0.02 0.16 0.07 0.00 -1.68 0.00 0.00 37.83 36.36 1s7f s LYS 68 CO 0.05 -0.08 0.06 1.41 -0.76 0.00 0.00 175.35 176.03 1s7f s MET 69 N -0.75 0.61 0.04 1.68 -2.45 -1.26 -1.41 119.30 115.77 1s7f s MET 69 Ca -0.08 -0.60 0.05 0.00 -1.25 0.00 0.00 55.69 53.81 1s7f s MET 69 Cb -0.05 -1.98 -0.04 0.00 1.25 0.00 0.00 34.83 34.02 1s7f s MET 69 CO 0.01 -0.77 -0.07 0.71 1.05 0.00 0.00 175.02 175.95 1s7f s TYR 70 N 1.83 2.84 -0.14 4.11 2.02 -0.29 -0.62 117.35 127.10 1s7f s TYR 70 Ca 0.03 -0.08 -0.06 0.00 -0.37 0.00 0.00 57.07 56.58 1s7f s TYR 70 Cb -0.17 -1.54 -0.04 0.00 -0.40 0.00 0.00 41.96 39.81 1s7f s TYR 70 CO -0.16 0.39 0.08 -0.51 -1.57 0.00 0.00 175.55 173.79 1s7f s LEU 71 N -1.75 4.00 -0.22 -1.29 1.43 0.22 -0.46 118.68 120.62 1s7f s LEU 71 Ca 0.19 0.24 -0.24 0.00 -1.03 0.00 0.00 54.13 53.28 1s7f s LEU 71 Cb -0.11 -1.98 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 1s7f s LEU 71 CO 0.10 0.29 0.81 -0.63 0.23 0.00 0.00 176.35 177.16 1s7f s ILE 72 N -0.33 4.86 -0.15 -0.59 1.01 -0.09 -1.25 121.20 124.66 1s7f s ILE 72 Ca 0.10 1.55 -0.02 0.00 0.00 0.00 0.00 60.65 62.28 1s7f s ILE 72 Cb -0.12 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 38.22 1s7f s ILE 72 CO 0.01 -0.04 -0.08 -0.36 0.00 0.00 0.00 174.94 174.47 1s7f s PHE 73 N 2.61 2.91 -0.29 3.97 0.40 -0.42 -0.07 117.98 127.09 1s7f s PHE 73 Ca 0.35 -0.53 -0.02 0.00 -0.60 0.00 0.00 56.93 56.14 1s7f s PHE 73 Cb -0.16 -1.91 0.05 0.00 0.51 0.00 0.00 43.02 41.51 1s7f s PHE 73 CO 0.09 -0.17 -0.01 0.00 0.70 0.00 0.00 175.22 175.83 1s7f n GLN 75 N 4.63 -5.45 -0.99 0.00 6.02 0.19 -1.21 117.38 120.57 1s7f n GLN 75 Ca -0.14 0.60 0.00 0.00 -0.01 0.00 0.00 57.00 57.45 1s7f n GLN 75 Cb 0.44 -5.44 0.00 0.00 1.02 0.00 0.00 30.24 26.26 1s7f n GLN 75 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1s7f n ASN 76 N -2.87 -1.57 -4.40 1.08 5.15 -1.26 -5.02 115.26 106.37 1s7f n ASN 76 Ca -0.01 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.65 1s7f n ASN 76 Cb 0.55 -0.34 -0.14 0.00 -0.53 0.00 0.00 39.78 39.32 1s7f n ASN 76 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1s7f s GLU 77 N -0.05 2.59 -0.02 1.20 2.12 -0.35 -5.08 118.70 119.11 1s7f s GLU 77 Ca 0.00 -0.76 -0.30 0.00 0.36 0.00 0.00 54.97 54.27 1s7f s GLU 77 Cb 0.00 -2.33 -0.06 0.00 0.26 0.00 0.00 34.13 32.00 1s7f s GLU 77 CO 0.00 0.51 1.59 1.41 -0.54 0.00 0.00 175.26 178.23 1s7f s MET 78 N -0.46 4.20 -0.00 4.30 -2.45 -1.26 -1.01 119.30 122.63 1s7f s MET 78 Ca 0.05 2.15 0.01 0.00 -1.25 0.00 0.00 55.69 56.66 1s7f s MET 78 Cb -0.12 -3.82 -0.02 0.00 1.25 0.00 0.00 34.83 32.12 1s7f s MET 78 CO 0.02 -0.77 0.04 0.00 1.05 0.00 0.00 175.02 175.36 1s7f n ALA 79 N 6.48 2.10 0.00 4.11 0.00 0.90 -4.93 120.51 129.17 1s7f n ALA 79 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1s7f n ALA 79 Cb 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1s7f n ALA 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s7f n GLY 80 N 1.84 -1.32 3.17 0.00 0.00 -1.20 -0.40 105.19 107.29 1s7f n GLY 80 Ca -0.00 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.85 1s7f n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s7f s VAL 81 N -2.89 1.32 -0.04 1.61 1.01 0.15 -0.91 120.40 120.65 1s7f s VAL 81 Ca 0.00 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 1s7f s VAL 81 Cb 0.00 -1.14 0.03 0.00 0.00 0.00 0.00 36.38 35.27 1s7f s VAL 81 CO 0.00 0.22 0.04 -0.22 0.00 0.00 0.00 175.10 175.14 1s7f s LEU 82 N -0.80 0.56 0.22 3.92 2.96 0.40 -1.44 118.68 124.50 1s7f s LEU 82 Ca 0.05 0.04 -0.04 0.00 -0.22 0.00 0.00 54.13 53.97 1s7f s LEU 82 Cb -0.07 -0.15 -0.03 0.00 0.50 0.00 0.00 46.19 46.43 1s7f s LEU 82 CO 0.01 -0.19 0.22 -0.94 -1.32 0.00 0.00 176.35 174.12 1s7f s SER 83 N 1.71 0.13 -0.38 3.68 1.04 0.03 -1.13 113.70 118.78 1s7f s SER 83 Ca -0.01 -1.29 -0.11 0.00 0.48 0.00 0.00 55.95 55.02 1s7f s SER 83 Cb -0.12 0.44 0.03 0.00 0.10 0.00 0.00 66.02 66.46 1s7f s SER 83 CO -0.03 -0.92 0.22 -0.36 0.98 0.00 0.00 173.24 173.12 1s7f s PHE 84 N -4.10 3.25 0.42 5.02 0.08 -0.50 -0.30 117.98 121.85 1s7f s PHE 84 Ca 0.35 -0.94 0.13 0.00 0.12 0.00 0.00 56.93 56.58 1s7f s PHE 84 Cb 0.05 -2.45 0.91 0.00 -0.57 0.00 0.00 43.02 40.96 1s7f s PHE 84 CO 0.12 -0.65 1.96 -0.91 -0.10 0.00 0.00 175.22 175.64 1s7f h ASN 85 N 8.45 0.08 -5.00 1.36 -0.26 -0.77 -1.71 115.58 117.73 1s7f h ASN 85 Ca -0.25 -0.01 -0.06 0.00 -0.56 0.00 0.00 56.30 55.41 1s7f h ASN 85 Cb 1.10 -0.02 -0.18 0.00 -1.06 0.00 0.00 38.32 38.16 1s7f h ASN 85 CO 0.67 0.26 0.17 0.00 -1.06 0.00 0.00 177.43 177.47 1s7f s ALA 86 N -4.64 -1.69 -0.02 -0.83 0.00 -1.23 -4.77 121.76 108.58 1s7f s ALA 86 Ca -0.04 1.14 0.04 0.00 0.00 0.00 0.00 51.96 53.09 1s7f s ALA 86 Cb 0.16 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.40 1s7f s ALA 86 CO 0.71 -0.42 -0.12 0.42 0.00 0.00 0.00 175.76 176.34 1s7f s ILE 87 N -1.58 1.01 -0.47 0.00 1.01 -0.70 -1.20 121.20 119.26 1s7f s ILE 87 Ca -0.09 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.04 1s7f s ILE 87 Cb -0.00 -0.85 0.12 0.00 0.01 0.00 0.00 42.46 41.74 1s7f s ILE 87 CO 0.06 0.29 0.23 -1.61 0.00 0.00 0.00 174.94 173.92 1s7f s GLU 88 N -0.15 1.99 0.24 2.79 2.02 0.97 -4.87 118.70 121.68 1s7f s GLU 88 Ca 0.02 -2.20 -0.05 0.00 0.02 0.00 0.00 54.97 52.76 1s7f s GLU 88 Cb -0.06 -3.45 0.40 0.00 0.10 0.00 0.00 34.13 31.11 1s7f s GLU 88 CO 0.00 -1.07 1.79 -1.35 0.02 0.00 0.00 175.26 174.65 1s7f h PRO 89 N 7.30 0.66 -0.29 0.39 0.11 -1.91 0.14 132.00 138.40 1s7f h PRO 89 Ca -0.07 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.91 1s7f h PRO 89 Cb 0.98 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.93 1s7f h PRO 89 CO 0.65 0.44 -0.22 0.82 -0.21 0.00 0.00 178.00 179.47 1s7f h ILE 90 N 0.68 1.26 0.00 4.15 2.04 -1.96 -2.34 117.51 121.35 1s7f h ILE 90 Ca 0.39 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 65.00 1s7f h ILE 90 Cb 0.43 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1s7f h ILE 90 CO -0.28 0.40 -0.32 0.59 0.00 0.00 0.00 178.15 178.54 1s7f n ASN 91 N -4.13 0.38 -3.74 1.72 3.02 -1.06 -4.92 115.26 106.52 1s7f n ASN 91 Ca -0.00 0.09 -0.23 0.00 -0.03 0.00 0.00 54.58 54.41 1s7f n ASN 91 Cb 0.40 -0.07 0.03 0.00 -0.61 0.00 0.00 39.78 39.53 1s7f n ASN 91 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1s7f n LYS 92 N -1.62 -5.13 -4.40 3.52 5.02 0.44 -4.72 118.16 111.27 1s7f n LYS 92 Ca 0.06 0.62 -0.26 0.00 -2.02 0.00 0.00 58.31 56.71 1s7f n LYS 92 Cb 0.36 -5.27 -0.13 0.00 -0.02 0.00 0.00 35.03 29.97 1s7f n LYS 92 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s7f s ALA 93 N -3.58 2.00 -0.04 7.82 0.00 -0.87 -0.32 121.76 126.77 1s7f s ALA 93 Ca 0.16 -1.29 -0.11 0.00 0.00 0.00 0.00 51.96 50.73 1s7f s ALA 93 Cb -0.08 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.75 1s7f s ALA 93 CO 0.81 0.43 0.25 0.00 0.00 0.00 0.00 175.76 177.25 1s7f s ALA 94 N -1.06 -0.62 -0.16 0.00 0.00 0.10 -0.02 121.76 119.99 1s7f s ALA 94 Ca 0.09 0.37 -0.06 0.00 0.00 0.00 0.00 51.96 52.37 1s7f s ALA 94 Cb -0.10 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 1s7f s ALA 94 CO 0.04 -0.19 0.02 0.71 0.00 0.00 0.00 175.76 176.34 1s7f s TYR 95 N -0.77 3.17 -0.14 0.00 1.51 -0.34 0.03 117.35 120.81 1s7f s TYR 95 Ca -0.09 -0.04 -0.06 0.00 -1.01 0.00 0.00 57.07 55.87 1s7f s TYR 95 Cb -0.05 -2.00 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 1s7f s TYR 95 CO 0.02 0.13 0.10 0.42 -1.11 0.00 0.00 175.55 175.10 1s7f s ILE 96 N 0.22 5.11 0.22 2.71 1.01 0.21 -0.12 121.20 130.56 1s7f s ILE 96 Ca 0.01 0.07 0.10 0.00 0.00 0.00 0.00 60.65 60.84 1s7f s ILE 96 Cb -0.13 -3.24 -0.05 0.00 0.01 0.00 0.00 42.46 39.05 1s7f s ILE 96 CO 0.01 0.56 -0.20 -0.83 0.00 0.00 0.00 174.94 174.49 1s7f s GLY 97 N -0.54 1.65 -0.15 6.18 0.00 0.59 -4.51 107.32 110.53 1s7f s GLY 97 Ca 0.11 -1.69 -0.30 0.00 0.00 0.00 0.00 44.72 42.85 1s7f s GLY 97 CO 0.02 -1.75 1.00 -2.52 0.00 0.00 0.00 173.10 169.84 1s7f s TYR 98 N -2.24 -0.37 -0.01 1.90 -0.85 -1.26 -0.79 117.35 113.73 1s7f s TYR 98 Ca 0.23 0.61 -0.28 0.00 -0.52 0.00 0.00 57.07 57.11 1s7f s TYR 98 Cb -0.05 0.45 0.06 0.00 0.38 0.00 0.00 41.96 42.81 1s7f s TYR 98 CO 0.10 -0.35 0.62 1.67 -1.52 0.00 0.00 175.55 176.08 1s7f s TRP 99 N -1.20 -0.58 -0.06 -3.49 1.48 -0.52 -4.89 118.94 109.67 1s7f s TRP 99 Ca -0.01 0.90 0.02 0.00 -1.06 0.00 0.00 56.10 55.95 1s7f s TRP 99 Cb -0.00 0.39 0.01 0.00 -1.16 0.00 0.00 33.47 32.71 1s7f s TRP 99 CO 0.01 -0.62 -0.12 -1.17 -4.06 0.00 0.00 176.95 170.99 1s7f s LEU 100 N -1.45 1.64 0.37 -4.66 2.96 -1.26 0.32 118.68 116.60 1s7f s LEU 100 Ca -0.09 -0.29 -0.24 0.00 -0.22 0.00 0.00 54.13 53.29 1s7f s LEU 100 Cb -0.01 -0.80 -0.13 0.00 0.50 0.00 0.00 46.19 45.75 1s7f s LEU 100 CO 0.06 0.03 0.60 -0.67 -1.32 0.00 0.00 176.35 175.05 1s7f n ASP 101 N 3.79 -0.63 -0.33 3.68 2.03 0.47 -4.80 116.55 120.76 1s7f n ASP 101 Ca -0.23 0.98 0.07 0.00 0.52 0.00 0.00 54.79 56.13 1s7f n ASP 101 Cb 0.52 -1.11 0.26 0.00 -0.72 0.00 0.00 41.12 40.07 1s7f n ASP 101 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1s7f h GLU 102 N 1.00 0.93 0.00 -0.67 4.81 -1.94 -2.38 114.58 116.33 1s7f h GLU 102 Ca -0.39 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 58.77 1s7f h GLU 102 Cb 1.40 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.56 1s7f h GLU 102 CO 0.53 0.62 -0.11 0.77 -0.73 0.00 0.00 179.01 180.09 1s7f h SER 103 N 0.96 0.00 0.00 1.04 0.02 -1.96 -2.68 113.55 110.93 1s7f h SER 103 Ca 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 1s7f h SER 103 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1s7f h SER 103 CO -0.21 0.11 -0.10 0.49 -1.14 0.00 0.00 176.83 175.97 1s7f n PHE 104 N -3.87 0.00 -1.65 3.45 3.01 -0.90 -4.99 117.46 112.51 1s7f n PHE 104 Ca -0.02 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.11 1s7f n PHE 104 Cb 0.20 -0.01 0.06 0.00 -0.01 0.00 0.00 39.48 39.72 1s7f n PHE 104 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1s7f s GLN 105 N -2.12 2.60 -0.10 -1.08 -0.21 -1.01 -3.76 119.66 113.98 1s7f s GLN 105 Ca 0.29 1.46 0.00 0.00 0.02 0.00 0.00 55.36 57.13 1s7f s GLN 105 Cb 0.20 -1.92 0.00 0.00 1.00 0.00 0.00 33.01 32.29 1s7f s GLN 105 CO 0.37 -1.42 0.00 0.41 -2.12 0.00 0.00 175.29 172.54 1s7f n GLY 106 N -0.34 0.49 0.54 3.09 0.00 -1.26 -4.89 105.19 102.82 1s7f n GLY 106 Ca 0.11 -0.41 0.06 0.00 0.00 0.00 0.00 46.02 45.78 1s7f n GLY 106 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1s7f n GLN 107 N -2.72 1.18 -0.93 1.61 6.02 -1.25 -4.96 117.38 116.33 1s7f n GLN 107 Ca -0.01 -1.42 0.00 0.00 -0.01 0.00 0.00 57.00 55.56 1s7f n GLN 107 Cb 0.06 -1.25 0.00 0.00 1.02 0.00 0.00 30.24 30.07 1s7f n GLN 107 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1s7f n GLY 108 N 0.68 0.53 0.35 1.08 0.00 -1.26 -4.95 105.19 101.61 1s7f n GLY 108 Ca 0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 46.02 46.02 1s7f n GLY 108 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1s7f h ILE 109 N 0.00 1.25 -0.19 -0.61 2.04 -1.93 -2.34 117.51 115.73 1s7f h ILE 109 Ca 0.00 -0.69 -0.07 0.00 1.00 0.00 0.00 64.86 65.10 1s7f h ILE 109 Cb 0.00 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.25 1s7f h ILE 109 CO 0.00 0.30 -0.16 -0.03 0.00 0.00 0.00 178.15 178.26 1s7f h MET 110 N 1.18 0.44 -0.42 2.37 4.05 -1.92 0.16 114.93 120.79 1s7f h MET 110 Ca 0.29 -0.22 -0.01 0.00 -0.28 0.00 0.00 59.70 59.47 1s7f h MET 110 Cb 0.10 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.88 1s7f h MET 110 CO -0.04 0.78 0.21 0.77 0.23 0.00 0.00 176.91 178.87 1s7f h SER 111 N 0.11 0.53 -0.81 1.39 0.02 -1.94 0.51 113.55 113.36 1s7f h SER 111 Ca 0.03 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 1s7f h SER 111 Cb 0.69 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 63.05 1s7f h SER 111 CO 0.04 0.49 0.41 1.56 -1.14 0.00 0.00 176.83 178.20 1s7f h GLN 112 N 0.53 1.15 -0.04 3.45 4.20 -1.32 -0.15 115.11 122.93 1s7f h GLN 112 Ca 0.14 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1s7f h GLN 112 Cb 0.09 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 1s7f h GLN 112 CO -0.02 0.87 -0.00 0.77 -0.67 0.00 0.00 178.83 179.77 1s7f h SER 113 N 1.15 0.07 -0.39 1.46 0.02 -0.40 -1.34 113.55 114.12 1s7f h SER 113 Ca 0.28 -0.33 0.06 0.00 -0.84 0.00 0.00 61.79 60.97 1s7f h SER 113 Cb 0.08 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 62.54 1s7f h SER 113 CO -0.04 0.38 0.06 0.25 -1.14 0.00 0.00 176.83 176.35 1s7f h LEU 114 N -0.24 -0.02 -0.80 5.07 5.85 0.16 0.23 115.31 125.57 1s7f h LEU 114 Ca 0.01 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.82 1s7f h LEU 114 Cb 0.35 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 1s7f h LEU 114 CO 0.00 0.03 0.52 1.56 -0.34 0.00 0.00 178.44 180.21 1s7f h GLN 115 N 0.19 1.00 -0.54 1.25 4.20 -0.95 -1.14 115.11 119.12 1s7f h GLN 115 Ca 0.19 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.73 1s7f h GLN 115 Cb 0.23 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1s7f h GLN 115 CO -0.26 0.66 -0.08 0.00 -0.67 0.00 0.00 178.83 178.49 1s7f h ALA 116 N 1.31 0.84 0.29 3.87 0.00 -0.32 -1.04 119.26 124.22 1s7f h ALA 116 Ca 0.31 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1s7f h ALA 116 Cb -0.05 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1s7f h ALA 116 CO -0.09 0.66 -0.14 1.25 0.00 0.00 0.00 179.25 180.93 1s7f h LEU 117 N 0.89 -0.33 -1.04 0.00 5.85 -0.48 -1.61 115.31 118.59 1s7f h LEU 117 Ca 0.15 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1s7f h LEU 117 Cb 0.63 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 1s7f h LEU 117 CO 0.04 -0.13 0.36 0.24 -0.34 0.00 0.00 178.44 178.62 1s7f h MET 118 N -0.52 1.04 -0.52 1.25 2.86 -1.16 -2.35 114.93 115.53 1s7f h MET 118 Ca -0.04 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.44 1s7f h MET 118 Cb 0.39 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 1s7f h MET 118 CO 0.07 0.79 0.22 1.15 1.06 0.00 0.00 176.91 180.19 1s7f h THR 119 N 1.04 1.21 -0.08 2.22 2.02 -1.11 0.18 112.91 118.38 1s7f h THR 119 Ca 0.26 -0.65 0.04 0.00 0.77 0.00 0.00 66.41 66.83 1s7f h THR 119 Cb 0.09 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.12 1s7f h THR 119 CO -0.04 0.25 -0.17 -0.74 0.37 0.00 0.00 175.52 175.19 1s7f h HIS 120 N 0.70 -0.45 0.00 3.16 6.17 -0.82 0.26 115.15 124.17 1s7f h HIS 120 Ca 0.17 0.02 -0.12 0.00 0.71 0.00 0.00 60.37 61.15 1s7f h HIS 120 Cb 0.18 0.21 -0.02 0.00 2.52 0.00 0.00 27.41 30.31 1s7f h HIS 120 CO 0.00 -0.25 -0.59 1.88 0.71 0.00 0.00 177.93 179.68 1s7f h TYR 121 N -0.24 0.00 -0.01 5.26 -1.99 -1.30 -3.14 116.97 115.55 1s7f h TYR 121 Ca 0.08 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.60 1s7f h TYR 121 Cb 0.36 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.08 1s7f h TYR 121 CO -0.26 0.59 -0.88 0.00 -0.00 0.00 0.00 178.16 177.61 1s7f h ALA 122 N 1.41 0.47 -0.42 3.88 0.00 -0.45 -1.75 119.26 122.39 1s7f h ALA 122 Ca -0.01 -0.70 -0.04 0.00 0.00 0.00 0.00 54.91 54.16 1s7f h ALA 122 Cb 1.34 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1s7f h ALA 122 CO 0.08 0.85 0.10 0.00 0.00 0.00 0.00 179.25 180.27 1s7f h ARG 123 N 0.19 0.68 0.00 0.00 3.08 -0.99 0.11 114.38 117.44 1s7f h ARG 123 Ca -0.06 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.83 1s7f h ARG 123 Cb 1.50 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.46 1s7f h ARG 123 CO 0.14 0.69 0.00 0.54 -1.07 0.00 0.00 179.97 180.28 1s7f n ARG 124 N -4.53 0.07 -1.08 0.04 5.12 -1.19 -4.79 116.66 110.30 1s7f n ARG 124 Ca -0.00 0.54 -0.03 0.00 -1.93 0.00 0.00 57.85 56.43 1s7f n ARG 124 Cb 0.21 -1.73 -0.01 0.00 -1.16 0.00 0.00 32.46 29.77 1s7f n ARG 124 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1s7f n GLY 125 N -1.21 0.52 0.10 -0.13 0.00 0.02 -4.91 105.19 99.59 1s7f n GLY 125 Ca -0.00 -0.19 -0.15 0.00 0.00 0.00 0.00 46.02 45.67 1s7f n GLY 125 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1s7f h ASP 126 N 0.00 0.39 -3.95 1.61 3.32 -1.55 -3.45 116.42 112.79 1s7f h ASP 126 Ca -0.05 -0.44 -0.39 0.00 0.02 0.00 0.00 57.03 56.17 1s7f h ASP 126 Cb 0.47 -0.13 -0.29 0.00 0.22 0.00 0.00 39.33 39.60 1s7f h ASP 126 CO 0.08 1.35 -0.78 -0.63 -1.72 0.00 0.00 179.24 177.54 1s7f s ILE 127 N -2.65 0.67 0.00 0.35 1.01 -1.03 -4.59 121.20 114.96 1s7f s ILE 127 Ca -0.04 -0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.26 1s7f s ILE 127 Cb 0.07 -0.58 0.00 0.00 0.01 0.00 0.00 42.46 41.97 1s7f s ILE 127 CO 0.88 0.20 0.00 -2.11 0.00 0.00 0.00 174.94 173.90 1s7f n ARG 128 N 3.00 2.31 -3.72 2.79 1.85 0.57 -3.78 116.66 119.68 1s7f n ARG 128 Ca -0.15 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.33 1s7f n ARG 128 Cb 0.56 -0.78 -0.12 0.00 -1.05 0.00 0.00 32.46 31.07 1s7f n ARG 128 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1s7f s ARG 129 N -1.51 3.32 -0.09 2.89 3.52 -0.45 0.53 118.95 127.16 1s7f s ARG 129 Ca 0.00 -0.71 -0.00 0.00 -0.13 0.00 0.00 55.73 54.88 1s7f s ARG 129 Cb 0.00 -3.43 -0.03 0.00 -1.56 0.00 0.00 34.95 29.93 1s7f s ARG 129 CO 0.00 -0.37 -0.07 -0.06 -0.81 0.00 0.00 175.30 173.99 1s7f s PHE 130 N 1.57 2.93 -0.02 5.12 0.40 0.20 -0.73 117.98 127.46 1s7f s PHE 130 Ca 0.04 -0.12 0.03 0.00 -0.60 0.00 0.00 56.93 56.29 1s7f s PHE 130 Cb -0.17 -1.77 -0.01 0.00 0.51 0.00 0.00 43.02 41.59 1s7f s PHE 130 CO 0.04 0.19 -0.11 0.08 0.70 0.00 0.00 175.22 176.12 1s7f s VAL 131 N -0.44 0.92 -0.11 -0.44 1.01 0.10 -1.32 120.40 120.13 1s7f s VAL 131 Ca 0.06 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.59 1s7f s VAL 131 Cb -0.12 -0.78 0.01 0.00 0.00 0.00 0.00 36.38 35.48 1s7f s VAL 131 CO 0.02 0.27 -0.19 -0.63 0.00 0.00 0.00 175.10 174.56 1s7f s ILE 132 N -0.13 1.78 -0.18 2.22 1.01 -0.28 0.64 121.20 126.26 1s7f s ILE 132 Ca 0.02 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 59.85 1s7f s ILE 132 Cb -0.06 -1.58 0.02 0.00 0.01 0.00 0.00 42.46 40.85 1s7f s ILE 132 CO -0.00 0.50 -0.20 -0.54 0.00 0.00 0.00 174.94 174.70 1s7f s LYS 133 N 0.68 3.01 0.04 2.79 1.02 -1.26 -0.52 119.74 125.51 1s7f s LYS 133 Ca -0.12 -0.82 -0.13 0.00 0.02 0.00 0.00 55.97 54.91 1s7f s LYS 133 Cb -0.16 -2.57 0.02 0.00 -0.52 0.00 0.00 37.83 34.60 1s7f s LYS 133 CO 0.03 -0.18 0.29 0.00 -0.92 0.00 0.00 175.35 174.57 1s7f n ARG 135 N 0.60 1.66 -0.20 0.00 1.74 -1.26 0.30 116.66 119.50 1s7f n ARG 135 Ca -0.19 0.59 0.09 0.00 -0.77 0.00 0.00 57.85 57.58 1s7f n ARG 135 Cb 0.59 -2.10 0.39 0.00 -1.02 0.00 0.00 32.46 30.32 1s7f n ARG 135 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1s7f h VAL 136 N 2.52 0.93 -0.37 1.55 2.07 -1.76 -2.22 116.25 118.97 1s7f h VAL 136 Ca -0.43 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1s7f h VAL 136 Cb 1.31 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1s7f h VAL 136 CO 0.67 0.12 0.00 -0.90 0.02 0.00 0.00 177.57 177.48 1s7f n ASP 137 N -4.50 2.24 -4.34 0.57 5.68 -1.26 -4.65 116.55 110.28 1s7f n ASP 137 Ca 0.13 -2.07 -0.46 0.00 -0.50 0.00 0.00 54.79 51.89 1s7f n ASP 137 Cb 0.35 -0.31 -0.03 0.00 -1.14 0.00 0.00 41.12 40.00 1s7f n ASP 137 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 1s7f s ASN 138 N -0.91 6.66 0.20 -1.12 3.84 -0.84 -4.91 114.94 117.86 1s7f s ASN 138 Ca 0.26 -2.47 -0.12 0.00 0.21 0.00 0.00 52.86 50.73 1s7f s ASN 138 Cb 0.14 -2.23 0.23 0.00 -0.55 0.00 0.00 41.25 38.84 1s7f s ASN 138 CO 0.16 -0.68 1.70 -0.61 -2.79 0.00 0.00 177.10 174.88 1s7f h GLN 139 N 8.07 0.20 -0.39 0.43 4.15 -1.86 -1.72 115.11 123.99 1s7f h GLN 139 Ca 0.05 -0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.34 1s7f h GLN 139 Cb 1.05 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.68 1s7f h GLN 139 CO 0.83 0.13 -0.22 0.00 -1.93 0.00 0.00 178.83 177.65 1s7f h ALA 140 N 1.44 0.90 -0.19 3.38 0.00 -1.98 -1.11 119.26 121.69 1s7f h ALA 140 Ca 0.28 -0.37 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 1s7f h ALA 140 Cb 0.40 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1s7f h ALA 140 CO -0.38 0.62 -0.64 1.03 0.00 0.00 0.00 179.25 179.88 1s7f h SER 141 N 0.66 0.90 -0.49 0.00 0.87 -1.87 -2.77 113.55 110.84 1s7f h SER 141 Ca 0.09 -0.59 -0.02 0.00 -1.23 0.00 0.00 61.79 60.04 1s7f h SER 141 Cb 0.72 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.39 1s7f h SER 141 CO 0.06 1.33 0.23 0.78 -0.53 0.00 0.00 176.83 178.70 1s7f h ASN 142 N 0.51 0.68 -0.30 6.23 2.35 -1.25 -2.75 115.58 121.06 1s7f h ASN 142 Ca -0.02 -0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.63 1s7f h ASN 142 Cb 1.26 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.44 1s7f h ASN 142 CO 0.14 0.60 0.08 0.00 -1.65 0.00 0.00 177.43 176.60 1s7f h ALA 143 N 1.50 0.40 -0.81 -0.83 0.00 -1.12 -0.66 119.26 117.73 1s7f h ALA 143 Ca 0.18 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.02 1s7f h ALA 143 Cb 0.12 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 1s7f h ALA 143 CO -0.02 0.04 0.47 0.28 0.00 0.00 0.00 179.25 180.02 1s7f h VAL 144 N 0.33 0.95 -0.36 0.00 2.07 -1.24 0.31 116.25 118.30 1s7f h VAL 144 Ca 0.10 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 1s7f h VAL 144 Cb 0.27 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1s7f h VAL 144 CO -0.00 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.74 1s7f h ALA 145 N 1.43 0.48 0.00 1.67 0.00 -1.21 -2.81 119.26 118.81 1s7f h ALA 145 Ca 0.38 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1s7f h ALA 145 Cb 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1s7f h ALA 145 CO -0.22 0.24 -0.25 0.00 0.00 0.00 0.00 179.25 179.01 1s7f h ARG 146 N 0.44 0.00 0.00 0.00 3.08 -0.02 -2.26 114.38 115.61 1s7f h ARG 146 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1s7f h ARG 146 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1s7f h ARG 146 CO 0.02 0.25 0.00 0.00 -1.07 0.00 0.00 179.97 179.17 1s7f h ARG 147 N 0.00 0.00 -0.34 0.04 -0.00 -0.86 -3.35 114.38 109.86 1s7f h ARG 147 Ca -0.00 0.00 -0.25 0.00 -0.50 0.00 0.00 59.98 59.23 1s7f h ARG 147 Cb 0.54 0.00 -0.19 0.00 0.00 0.00 0.00 29.97 30.32 1s7f h ARG 147 CO 0.03 0.00 -0.61 0.09 0.00 0.00 0.00 179.97 179.48 1s7f n ASN 148 N -2.94 3.18 -1.17 7.04 3.02 -0.86 -4.96 115.26 118.56 1s7f n ASN 148 Ca 0.02 -3.84 -0.11 0.00 -0.03 0.00 0.00 54.58 50.62 1s7f n ASN 148 Cb 0.39 -0.46 -0.02 0.00 -0.61 0.00 0.00 39.78 39.09 1s7f n ASN 148 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1s7f n HIS 149 N -0.94 -0.37 -3.48 3.10 8.25 -1.25 -5.01 115.22 115.51 1s7f n HIS 149 Ca 0.31 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.39 1s7f n HIS 149 Cb 0.82 -2.48 -0.06 0.00 1.12 0.00 0.00 29.99 29.39 1s7f n HIS 149 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1s7f s PHE 150 N -2.53 3.70 -0.18 4.41 0.40 -1.15 -4.68 117.98 117.95 1s7f s PHE 150 Ca 0.00 0.99 -0.08 0.00 -0.60 0.00 0.00 56.93 57.24 1s7f s PHE 150 Cb 0.00 -2.29 -0.04 0.00 0.51 0.00 0.00 43.02 41.20 1s7f s PHE 150 CO 0.00 0.60 0.08 0.99 0.70 0.00 0.00 175.22 177.59 1s7f s THR 151 N -1.17 4.94 -0.16 0.64 2.01 0.12 -4.75 115.64 117.26 1s7f s THR 151 Ca 0.27 0.02 -0.29 0.00 0.31 0.00 0.00 61.69 62.00 1s7f s THR 151 Cb -0.16 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 1s7f s THR 151 CO 0.15 0.48 1.76 -0.22 -0.69 0.00 0.00 174.62 176.10 1s7f s LEU 152 N 0.19 3.96 0.10 4.42 2.96 -1.26 -0.97 118.68 128.08 1s7f s LEU 152 Ca 0.05 1.89 0.20 0.00 -0.22 0.00 0.00 54.13 56.05 1s7f s LEU 152 Cb -0.12 -3.53 -0.11 0.00 0.50 0.00 0.00 46.19 42.93 1s7f s LEU 152 CO 0.00 -1.29 0.84 -0.62 -1.32 0.00 0.00 176.35 173.96 1s7f n GLU 153 N 7.74 0.62 0.00 1.98 1.02 0.28 -4.96 120.64 127.32 1s7f n GLU 153 Ca 0.20 0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.48 1s7f n GLU 153 Cb 0.44 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 1s7f n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s7f n GLY 154 N 1.31 1.47 3.29 0.62 0.00 -1.14 -5.02 105.19 105.71 1s7f n GLY 154 Ca -0.06 -1.03 -0.34 0.00 0.00 0.00 0.00 46.02 44.59 1s7f n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s7f s MET 156 N 1.12 3.55 0.03 0.00 -1.94 0.21 -4.90 119.30 117.37 1s7f s MET 156 Ca 0.01 0.06 -0.30 0.00 -1.71 0.00 0.00 55.69 53.75 1s7f s MET 156 Cb -0.14 -3.89 -0.08 0.00 2.01 0.00 0.00 34.83 32.73 1s7f s MET 156 CO -0.03 -1.01 1.69 0.21 -0.01 0.00 0.00 175.02 175.87 1s7f s LYS 157 N 3.22 4.19 -1.70 2.03 2.20 -1.26 -0.97 119.74 127.45 1s7f s LYS 157 Ca 0.30 2.32 -0.17 0.00 -0.36 0.00 0.00 55.97 58.07 1s7f s LYS 157 Cb -0.12 -3.78 0.15 0.00 -1.51 0.00 0.00 37.83 32.57 1s7f s LYS 157 CO 0.20 -0.79 0.67 1.04 -0.36 0.00 0.00 175.35 176.11 1s7f n GLN 158 N 6.27 -2.58 0.12 4.03 6.02 -1.24 -4.85 117.38 125.15 1s7f n GLN 158 Ca 0.17 0.31 -0.01 0.00 -0.01 0.00 0.00 57.00 57.46 1s7f n GLN 158 Cb 0.41 -4.88 0.23 0.00 1.02 0.00 0.00 30.24 27.03 1s7f n GLN 158 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1s7f h ALA 159 N 0.89 1.12 -3.65 -1.58 0.00 -1.33 -3.40 119.26 111.30 1s7f h ALA 159 Ca -0.60 -0.44 -0.56 0.00 0.00 0.00 0.00 54.91 53.31 1s7f h ALA 159 Cb 1.38 -0.08 -0.32 0.00 0.00 0.00 0.00 17.79 18.77 1s7f h ALA 159 CO 0.78 0.61 -0.83 -1.21 0.00 0.00 0.00 179.25 178.60 1s7f s GLU 160 N -4.00 1.92 -0.26 0.00 0.41 -1.11 -4.93 118.70 110.73 1s7f s GLU 160 Ca -0.03 -0.57 -0.20 0.00 -0.41 0.00 0.00 54.97 53.76 1s7f s GLU 160 Cb 0.13 -1.59 -0.02 0.00 -1.78 0.00 0.00 34.13 30.87 1s7f s GLU 160 CO 0.76 0.16 0.60 -0.47 -0.49 0.00 0.00 175.26 175.82 1s7f s TYR 161 N 0.30 3.27 -0.12 1.61 5.04 -1.26 0.51 117.35 126.70 1s7f s TYR 161 Ca -0.10 0.74 -0.06 0.00 -2.44 0.00 0.00 57.07 55.21 1s7f s TYR 161 Cb -0.14 -2.83 0.05 0.00 0.35 0.00 0.00 41.96 39.39 1s7f s TYR 161 CO 0.04 -0.33 0.28 -1.17 -1.34 0.00 0.00 175.55 173.02 1s7f s LEU 162 N 2.47 0.32 -1.29 6.97 2.96 0.38 -4.96 118.68 125.53 1s7f s LEU 162 Ca 0.25 0.60 -0.14 0.00 -0.22 0.00 0.00 54.13 54.62 1s7f s LEU 162 Cb -0.15 0.86 0.00 0.00 0.50 0.00 0.00 46.19 47.41 1s7f s LEU 162 CO 0.09 -0.17 0.56 0.59 -1.32 0.00 0.00 176.35 176.10 1s7f n ASN 163 N 4.20 -2.64 0.00 3.68 3.02 -1.26 -2.09 115.26 120.16 1s7f n ASN 163 Ca -0.25 -1.09 0.00 0.00 -0.03 0.00 0.00 54.58 53.22 1s7f n ASN 163 Cb 0.54 -2.80 0.00 0.00 -0.61 0.00 0.00 39.78 36.91 1s7f n ASN 163 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s7f n GLY 164 N -1.95 2.89 3.54 7.41 0.00 -1.26 -5.00 105.19 110.82 1s7f n GLY 164 Ca -0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 1s7f n GLY 164 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s7f s ASP 165 N -0.32 3.43 -0.14 1.61 1.01 -0.89 -5.14 116.67 116.24 1s7f s ASP 165 Ca 0.00 -1.29 -0.10 0.00 0.71 0.00 0.00 52.55 51.87 1s7f s ASP 165 Cb 0.00 -0.30 -0.05 0.00 1.01 0.00 0.00 42.92 43.58 1s7f s ASP 165 CO 0.00 -0.38 0.20 -0.31 0.21 0.00 0.00 175.17 174.89 1s7f s TYR 166 N -2.81 3.53 -0.03 4.23 2.02 -1.26 -0.47 117.35 122.56 1s7f s TYR 166 Ca 0.34 0.54 0.07 0.00 -0.37 0.00 0.00 57.07 57.64 1s7f s TYR 166 Cb 0.06 -2.13 -0.01 0.00 -0.40 0.00 0.00 41.96 39.48 1s7f s TYR 166 CO 0.16 0.50 -0.23 -1.01 -1.57 0.00 0.00 175.55 173.39 1s7f s HIS 167 N -0.33 2.16 0.52 2.71 3.76 0.18 -4.78 115.29 119.51 1s7f s HIS 167 Ca 0.14 -0.50 -0.22 0.00 -0.15 0.00 0.00 55.06 54.33 1s7f s HIS 167 Cb -0.12 -1.40 -0.06 0.00 1.11 0.00 0.00 32.58 32.10 1s7f s HIS 167 CO 0.03 -0.10 1.31 -0.51 -0.85 0.00 0.00 174.74 174.62 1s7f s ASP 168 N -0.39 5.54 -0.02 1.40 1.01 -1.26 -1.74 116.67 121.21 1s7f s ASP 168 Ca 0.04 2.65 -0.01 0.00 0.71 0.00 0.00 52.55 55.94 1s7f s ASP 168 Cb -0.11 -2.63 0.02 0.00 1.01 0.00 0.00 42.92 41.21 1s7f s ASP 168 CO 0.01 -1.38 0.04 0.68 0.21 0.00 0.00 175.17 174.73 1s7f s VAL 169 N -1.36 -0.03 0.36 -1.27 -7.23 -0.14 -2.12 120.40 108.61 1s7f s VAL 169 Ca 0.69 0.11 -0.24 0.00 -1.81 0.00 0.00 61.98 60.73 1s7f s VAL 169 Cb -0.37 -0.09 -0.10 0.00 0.56 0.00 0.00 36.38 36.38 1s7f s VAL 169 CO 0.45 0.05 0.93 0.20 -0.31 0.00 0.00 175.10 176.41 1s7f s ASN 170 N 0.59 7.17 -0.20 4.85 0.01 0.15 0.66 114.94 128.16 1s7f s ASN 170 Ca -0.05 1.75 0.01 0.00 -0.71 0.00 0.00 52.86 53.86 1s7f s ASN 170 Cb -0.07 -2.55 0.04 0.00 0.41 0.00 0.00 41.25 39.08 1s7f s ASN 170 CO -0.02 -0.17 -0.11 -0.32 -1.51 0.00 0.00 177.10 174.96 1s7f s MET 171 N -2.49 2.14 0.14 -0.60 -2.45 -0.30 -1.34 119.30 114.40 1s7f s MET 171 Ca 0.54 -0.89 0.07 0.00 -1.25 0.00 0.00 55.69 54.17 1s7f s MET 171 Cb -0.15 -2.48 -0.04 0.00 1.25 0.00 0.00 34.83 33.42 1s7f s MET 171 CO 0.19 -0.42 -0.08 0.71 1.05 0.00 0.00 175.02 176.48 1s7f s TYR 172 N 1.36 2.74 0.08 4.11 2.02 0.32 0.10 117.35 128.08 1s7f s TYR 172 Ca -0.01 -0.16 -0.12 0.00 -0.37 0.00 0.00 57.07 56.41 1s7f s TYR 172 Cb -0.16 -1.39 0.01 0.00 -0.40 0.00 0.00 41.96 40.02 1s7f s TYR 172 CO -0.08 0.47 0.27 0.00 -1.57 0.00 0.00 175.55 174.63 1s7f s ALA 173 N -1.44 -0.52 -0.07 3.71 0.00 -0.14 -1.12 121.76 122.18 1s7f s ALA 173 Ca 0.24 -0.28 -0.05 0.00 0.00 0.00 0.00 51.96 51.86 1s7f s ALA 173 Cb -0.10 0.46 0.03 0.00 0.00 0.00 0.00 23.12 23.50 1s7f s ALA 173 CO 0.15 -0.49 0.18 0.50 0.00 0.00 0.00 175.76 176.10 1s7f s ARG 174 N -3.34 0.19 -0.17 0.00 3.52 -0.43 0.14 118.95 118.86 1s7f s ARG 174 Ca 0.01 0.31 -0.04 0.00 -0.13 0.00 0.00 55.73 55.87 1s7f s ARG 174 Cb 0.02 0.02 -0.03 0.00 -1.56 0.00 0.00 34.95 33.40 1s7f s ARG 174 CO -0.08 -0.07 -0.02 0.42 -0.81 0.00 0.00 175.30 174.74 1s7f s ILE 175 N 0.46 4.02 0.00 4.11 1.09 -1.26 -0.63 121.20 129.00 1s7f s ILE 175 Ca -0.03 -0.31 0.00 0.00 -1.10 0.00 0.00 60.65 59.21 1s7f s ILE 175 Cb -0.04 -2.78 0.00 0.00 -1.06 0.00 0.00 42.46 38.57 1s7f s ILE 175 CO -0.02 0.47 0.29 -0.38 -0.10 0.00 0.00 174.94 175.20