#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mj7 s GLN 5 N 0.00 4.24 -0.02 3.23 -1.52 -1.26 -4.26 119.66 120.07 1mj7 s GLN 5 Ca 0.00 0.58 0.03 0.00 -1.95 0.00 0.00 55.36 54.01 1mj7 s GLN 5 Cb 0.00 -3.54 -0.00 0.00 -0.22 0.00 0.00 33.01 29.25 1mj7 s GLN 5 CO 0.00 -0.14 -0.09 -0.65 -0.25 0.00 0.00 175.29 174.16 1mj7 s GLN 6 N 1.59 0.85 0.49 2.91 -0.21 -1.26 -4.24 119.66 119.79 1mj7 s GLN 6 Ca 0.28 -0.30 -0.24 0.00 0.02 0.00 0.00 55.36 55.12 1mj7 s GLN 6 Cb -0.16 -0.81 -0.07 0.00 1.00 0.00 0.00 33.01 32.98 1mj7 s GLN 6 CO 0.11 0.14 1.41 -1.25 -2.12 0.00 0.00 175.29 173.58 1mj7 s PRO 7 N 0.05 3.43 0.36 2.91 0.04 -1.26 -4.74 135.00 135.78 1mj7 s PRO 7 Ca -0.01 2.37 0.12 0.00 0.04 0.00 0.00 61.00 63.53 1mj7 s PRO 7 Cb -0.07 -2.48 0.68 0.00 0.04 0.00 0.00 34.50 32.67 1mj7 s PRO 7 CO 0.00 -1.01 1.80 0.78 0.04 0.00 0.00 177.00 178.62 1mj7 h GLY 8 N 1.93 0.01 -3.65 0.56 0.00 -1.93 -3.28 103.07 96.71 1mj7 h GLY 8 Ca -0.51 -0.01 -0.03 0.00 0.00 0.00 0.00 47.33 46.78 1mj7 h GLY 8 CO 0.59 0.01 0.22 0.00 0.00 0.00 0.00 176.54 177.37 1mj7 s ALA 9 N -4.14 -1.72 -0.09 3.60 0.00 -1.26 -2.20 121.76 115.95 1mj7 s ALA 9 Ca -0.03 1.03 -0.03 0.00 0.00 0.00 0.00 51.96 52.93 1mj7 s ALA 9 Cb 0.14 0.29 0.05 0.00 0.00 0.00 0.00 23.12 23.60 1mj7 s ALA 9 CO 0.73 -0.52 0.12 -1.21 0.00 0.00 0.00 175.76 174.88 1mj7 s GLU 10 N -2.15 0.01 -0.32 0.00 0.41 -1.08 -4.70 118.70 110.87 1mj7 s GLU 10 Ca -0.06 0.39 -0.15 0.00 -0.41 0.00 0.00 54.97 54.75 1mj7 s GLU 10 Cb -0.00 -0.61 -0.02 0.00 -1.78 0.00 0.00 34.13 31.71 1mj7 s GLU 10 CO 0.01 -0.38 0.35 -1.17 -0.49 0.00 0.00 175.26 173.57 1mj7 s LEU 11 N 2.23 4.29 -0.03 1.80 2.96 -1.26 -1.18 118.68 127.49 1mj7 s LEU 11 Ca 0.04 -0.07 0.06 0.00 -0.22 0.00 0.00 54.13 53.94 1mj7 s LEU 11 Cb -0.13 -2.34 -0.01 0.00 0.50 0.00 0.00 46.19 44.21 1mj7 s LEU 11 CO -0.06 -0.27 -0.23 0.68 -1.32 0.00 0.00 176.35 175.16 1mj7 s VAL 12 N 2.01 1.84 0.41 1.68 -7.23 -0.35 -4.98 120.40 113.77 1mj7 s VAL 12 Ca 0.12 -0.97 -0.25 0.00 -1.81 0.00 0.00 61.98 59.07 1mj7 s VAL 12 Cb -0.16 -1.54 -0.08 0.00 0.56 0.00 0.00 36.38 35.15 1mj7 s VAL 12 CO 0.11 0.52 1.20 -0.54 -0.31 0.00 0.00 175.10 176.08 1mj7 s LYS 13 N -0.34 4.00 0.27 4.82 3.01 -1.25 -1.68 119.74 128.56 1mj7 s LYS 13 Ca 0.03 1.91 -0.31 0.00 -1.01 0.00 0.00 55.97 56.59 1mj7 s LYS 13 Cb -0.11 -2.67 -0.12 0.00 -1.01 0.00 0.00 37.83 33.93 1mj7 s LYS 13 CO 0.01 -0.39 1.64 -1.25 0.51 0.00 0.00 175.35 175.87 1mj7 s PRO 14 N -2.32 4.11 0.00 -1.68 0.04 -1.26 -1.62 135.00 132.27 1mj7 s PRO 14 Ca 0.58 2.60 0.00 0.00 0.04 0.00 0.00 61.00 64.22 1mj7 s PRO 14 Cb -0.32 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.18 1mj7 s PRO 14 CO 0.41 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 177.18 1mj7 n GLY 15 N 2.69 1.67 3.92 0.56 0.00 -0.51 -4.95 105.19 108.58 1mj7 n GLY 15 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 1mj7 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mj7 s ALA 16 N -2.34 3.03 0.44 4.61 0.00 -0.64 -4.21 121.76 122.65 1mj7 s ALA 16 Ca 0.00 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 51.14 1mj7 s ALA 16 Cb 0.00 -2.67 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 1mj7 s ALA 16 CO 0.00 -1.42 0.20 -1.54 0.00 0.00 0.00 175.76 173.00 1mj7 s SER 17 N -4.55 4.45 -0.22 0.00 1.04 -1.26 -1.40 113.70 111.77 1mj7 s SER 17 Ca 0.61 -1.14 -0.27 0.00 0.48 0.00 0.00 55.95 55.64 1mj7 s SER 17 Cb -0.10 -0.28 0.09 0.00 0.10 0.00 0.00 66.02 65.82 1mj7 s SER 17 CO 0.46 -0.65 0.80 0.54 0.98 0.00 0.00 173.24 175.37 1mj7 s VAL 18 N -2.64 0.00 -0.30 5.02 0.11 -0.45 -4.97 120.40 117.17 1mj7 s VAL 18 Ca 0.38 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.40 1mj7 s VAL 18 Cb 0.03 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.92 1mj7 s VAL 18 CO 0.21 0.00 0.01 -0.75 -3.33 0.00 0.00 175.10 171.24 1mj7 s LYS 19 N -0.11 2.46 0.20 1.54 2.20 -1.26 -0.09 119.74 124.68 1mj7 s LYS 19 Ca -0.02 -1.25 -0.25 0.00 -0.36 0.00 0.00 55.97 54.09 1mj7 s LYS 19 Cb -0.04 -3.21 -0.08 0.00 -1.51 0.00 0.00 37.83 32.99 1mj7 s LYS 19 CO 0.02 -0.62 0.81 -0.51 -0.36 0.00 0.00 175.35 174.69 1mj7 s LEU 20 N 1.27 4.54 0.13 5.43 1.43 0.19 -4.86 118.68 126.81 1mj7 s LEU 20 Ca -0.05 1.68 0.04 0.00 -1.03 0.00 0.00 54.13 54.77 1mj7 s LEU 20 Cb -0.20 -3.46 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 1mj7 s LEU 20 CO -0.01 0.15 0.09 -0.94 0.23 0.00 0.00 176.35 175.88 1mj7 s SER 21 N -1.28 5.44 0.00 2.29 1.04 -1.26 -1.37 113.70 118.56 1mj7 s SER 21 Ca 0.39 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.72 1mj7 s SER 21 Cb -0.22 -1.41 0.00 0.00 0.10 0.00 0.00 66.02 64.49 1mj7 s SER 21 CO 0.26 0.12 0.00 0.00 0.98 0.00 0.00 173.24 174.60 1mj7 n SER 31 N 0.00 -0.00 -4.06 0.00 2.88 -1.26 -4.35 113.62 106.82 1mj7 n SER 31 Ca 0.00 -1.67 -0.10 0.00 -1.33 0.00 0.00 58.87 55.76 1mj7 n SER 31 Cb 0.00 -0.49 -0.07 0.00 -0.75 0.00 0.00 64.21 62.89 1mj7 n SER 31 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1mj7 s SER 32 N 5.01 0.04 -0.18 -3.46 0.01 -1.26 -4.91 113.70 108.94 1mj7 s SER 32 Ca 0.39 -1.13 -0.05 0.00 1.31 0.00 0.00 55.95 56.46 1mj7 s SER 32 Cb 0.05 0.50 -0.03 0.00 0.21 0.00 0.00 66.02 66.76 1mj7 s SER 32 CO 0.17 -1.02 -0.00 0.26 0.41 0.00 0.00 173.24 173.06 1mj7 s TRP 33 N -4.05 3.08 -0.29 2.43 0.52 -0.62 -3.99 118.94 116.01 1mj7 s TRP 33 Ca 0.30 -0.28 -0.12 0.00 0.02 0.00 0.00 56.10 56.01 1mj7 s TRP 33 Cb 0.03 -2.04 -0.04 0.00 -1.15 0.00 0.00 33.47 30.27 1mj7 s TRP 33 CO 0.11 -0.08 0.25 0.42 0.02 0.00 0.00 176.95 177.66 1mj7 s ILE 34 N 0.63 5.27 0.16 2.03 -1.09 0.12 -0.83 121.20 127.50 1mj7 s ILE 34 Ca -0.00 0.23 0.06 0.00 -2.23 0.00 0.00 60.65 58.70 1mj7 s ILE 34 Cb -0.14 -3.60 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 1mj7 s ILE 34 CO 0.02 0.19 0.09 0.20 -1.23 0.00 0.00 174.94 174.21 1mj7 s ASN 35 N 1.73 5.30 -0.05 3.58 0.01 0.56 -1.02 114.94 125.06 1mj7 s ASN 35 Ca 0.09 -0.20 0.07 0.00 -0.71 0.00 0.00 52.86 52.11 1mj7 s ASN 35 Cb -0.16 -1.32 -0.01 0.00 0.41 0.00 0.00 41.25 40.17 1mj7 s ASN 35 CO 0.11 0.08 -0.25 0.26 -1.51 0.00 0.00 177.10 175.79 1mj7 s TRP 36 N -1.72 2.38 -0.02 2.20 0.52 -0.53 0.03 118.94 121.80 1mj7 s TRP 36 Ca 0.30 -0.64 0.04 0.00 0.02 0.00 0.00 56.10 55.82 1mj7 s TRP 36 Cb -0.10 -1.55 -0.00 0.00 -1.15 0.00 0.00 33.47 30.66 1mj7 s TRP 36 CO 0.22 -0.16 -0.12 0.08 0.02 0.00 0.00 176.95 176.98 1mj7 s VAL 37 N -0.29 1.01 0.06 4.03 1.01 -0.05 -1.13 120.40 125.05 1mj7 s VAL 37 Ca 0.00 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.49 1mj7 s VAL 37 Cb -0.13 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1mj7 s VAL 37 CO 0.02 0.29 0.06 -0.75 0.00 0.00 0.00 175.10 174.73 1mj7 s LYS 38 N -0.09 2.84 -0.28 2.72 2.20 0.17 -0.88 119.74 126.42 1mj7 s LYS 38 Ca 0.01 -0.68 -0.08 0.00 -0.36 0.00 0.00 55.97 54.86 1mj7 s LYS 38 Cb -0.07 -2.71 0.13 0.00 -1.51 0.00 0.00 37.83 33.67 1mj7 s LYS 38 CO 0.00 0.58 0.60 -1.14 -0.36 0.00 0.00 175.35 175.03 1mj7 s GLN 39 N -2.22 0.54 0.19 4.03 0.74 0.39 -1.32 119.66 122.01 1mj7 s GLN 39 Ca 0.27 1.32 -0.30 0.00 0.05 0.00 0.00 55.36 56.70 1mj7 s GLN 39 Cb -0.12 0.73 -0.08 0.00 1.10 0.00 0.00 33.01 34.64 1mj7 s GLN 39 CO 0.19 -0.28 0.97 1.03 -0.55 0.00 0.00 175.29 176.65 1mj7 s ARG 40 N 2.85 4.77 -0.36 1.67 0.52 -1.26 0.36 118.95 127.49 1mj7 s ARG 40 Ca -0.01 1.51 -0.43 0.00 -0.52 0.00 0.00 55.73 56.27 1mj7 s ARG 40 Cb -0.12 -3.31 -0.18 0.00 0.52 0.00 0.00 34.95 31.86 1mj7 s ARG 40 CO -0.18 0.36 1.63 -2.30 0.02 0.00 0.00 175.30 174.83 1mj7 n PRO 41 N 1.99 0.53 -0.99 3.54 -0.02 -1.26 0.97 135.00 139.77 1mj7 n PRO 41 Ca -0.00 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1mj7 n PRO 41 Cb 0.48 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 1mj7 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mj7 n GLY 42 N 3.92 0.50 0.00 -1.23 0.00 -1.26 -5.01 105.19 102.11 1mj7 n GLY 42 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1mj7 n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1mj7 n GLN 43 N -2.52 2.13 -0.47 1.61 1.13 0.27 -5.16 117.38 114.38 1mj7 n GLN 43 Ca 0.00 0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 55.02 1mj7 n GLN 43 Cb 0.05 0.00 0.03 0.00 0.11 0.00 0.00 30.24 30.42 1mj7 n GLN 43 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1mj7 n GLY 44 N 5.00 -0.66 3.41 1.08 0.00 -1.26 -4.75 105.19 108.01 1mj7 n GLY 44 Ca 0.00 -1.76 -0.33 0.00 0.00 0.00 0.00 46.02 43.94 1mj7 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mj7 s LEU 45 N 0.00 2.65 -0.03 0.99 1.43 -1.26 -4.15 118.68 118.31 1mj7 s LEU 45 Ca 0.11 -0.29 0.05 0.00 -1.03 0.00 0.00 54.13 52.98 1mj7 s LEU 45 Cb -0.00 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.65 1mj7 s LEU 45 CO 0.08 0.26 -0.19 -1.61 0.23 0.00 0.00 176.35 175.12 1mj7 s GLU 46 N -0.21 1.77 -0.11 1.70 2.02 -0.43 -4.98 118.70 118.46 1mj7 s GLU 46 Ca 0.00 -0.68 -0.19 0.00 0.02 0.00 0.00 54.97 54.12 1mj7 s GLU 46 Cb -0.13 -1.61 -0.04 0.00 0.10 0.00 0.00 34.13 32.45 1mj7 s GLU 46 CO 0.03 0.34 0.53 -0.46 0.02 0.00 0.00 175.26 175.72 1mj7 s TRP 47 N -0.21 3.52 -0.22 1.61 -0.00 -1.26 -0.66 118.94 121.73 1mj7 s TRP 47 Ca 0.01 0.96 -0.19 0.00 -0.00 0.00 0.00 56.10 56.88 1mj7 s TRP 47 Cb -0.10 -2.61 -0.17 0.00 -0.00 0.00 0.00 33.47 30.59 1mj7 s TRP 47 CO 0.01 0.14 0.08 -0.89 -0.00 0.00 0.00 176.95 176.29 1mj7 n ILE 48 N 3.73 1.53 -2.11 5.86 5.41 -0.28 -4.73 119.36 128.78 1mj7 n ILE 48 Ca -0.06 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.63 1mj7 n ILE 48 Cb 0.51 -2.04 0.00 0.00 -0.71 0.00 0.00 39.64 37.40 1mj7 n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1mj7 n GLY 49 N 1.41 -1.65 3.62 7.39 0.00 -1.24 0.14 105.19 114.88 1mj7 n GLY 49 Ca -0.34 -1.10 -0.09 0.00 0.00 0.00 0.00 46.02 44.49 1mj7 n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mj7 s ASN 50 N -2.37 -0.16 0.07 1.61 2.20 0.17 -1.46 114.94 115.00 1mj7 s ASN 50 Ca 0.00 -0.75 -0.00 0.00 -0.94 0.00 0.00 52.86 51.16 1mj7 s ASN 50 Cb 0.00 0.61 -0.04 0.00 -2.00 0.00 0.00 41.25 39.82 1mj7 s ASN 50 CO 0.00 -1.16 -0.03 0.54 -2.94 0.00 0.00 177.10 173.52 1mj7 s VAL 51 N -3.96 0.32 -0.45 3.54 0.11 -0.18 -1.16 120.40 118.61 1mj7 s VAL 51 Ca 0.17 -1.85 0.03 0.00 -2.93 0.00 0.00 61.98 57.39 1mj7 s VAL 51 Cb -0.02 -1.63 0.13 0.00 -1.53 0.00 0.00 36.38 33.34 1mj7 s VAL 51 CO 0.05 -0.90 0.23 -0.47 -3.33 0.00 0.00 175.10 170.68 1mj7 s TYR 52 N -3.86 2.40 0.00 1.54 5.04 -1.26 0.15 117.35 121.35 1mj7 s TYR 52 Ca 0.10 -2.64 -0.11 0.00 -2.44 0.00 0.00 57.07 51.98 1mj7 s TYR 52 Cb 0.07 -2.20 -0.14 0.00 0.35 0.00 0.00 41.96 40.04 1mj7 s TYR 52 CO -0.07 -0.78 1.10 -2.30 -1.34 0.00 0.00 175.55 172.15 1mj7 n PRO 52 N 3.52 0.00 -1.71 4.97 -0.02 -1.26 -5.00 135.00 135.50 1mj7 n PRO 52 Ca 0.07 -0.61 0.00 0.00 -2.02 0.00 0.00 63.50 60.94 1mj7 n PRO 52 Cb 0.34 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1mj7 n PRO 52 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1mj7 n SER 56 N 6.14 -4.73 -4.27 2.55 2.88 -1.26 -4.97 113.62 109.97 1mj7 n SER 56 Ca 0.17 1.19 -0.16 0.00 -1.33 0.00 0.00 58.87 58.74 1mj7 n SER 56 Cb 0.17 -3.34 -0.10 0.00 -0.75 0.00 0.00 64.21 60.18 1mj7 n SER 56 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1mj7 s THR 57 N -1.52 1.33 -0.08 2.46 -4.23 -1.26 -4.67 115.64 107.67 1mj7 s THR 57 Ca 0.00 -1.99 -0.01 0.00 -1.18 0.00 0.00 61.69 58.51 1mj7 s THR 57 Cb 0.00 -1.79 0.03 0.00 1.34 0.00 0.00 72.50 72.07 1mj7 s THR 57 CO 0.00 -0.62 -0.03 0.20 -0.54 0.00 0.00 174.62 173.63 1mj7 s ASN 58 N -2.99 1.63 0.10 3.99 0.01 -0.31 -4.98 114.94 112.39 1mj7 s ASN 58 Ca 0.16 -0.15 0.05 0.00 -0.71 0.00 0.00 52.86 52.21 1mj7 s ASN 58 Cb -0.00 -0.54 -0.04 0.00 0.41 0.00 0.00 41.25 41.07 1mj7 s ASN 58 CO 0.03 -0.15 0.02 -0.31 -1.51 0.00 0.00 177.10 175.17 1mj7 s TYR 59 N 1.73 3.02 -0.13 2.20 1.51 -1.26 0.42 117.35 124.83 1mj7 s TYR 59 Ca 0.02 -0.02 -0.25 0.00 -1.01 0.00 0.00 57.07 55.81 1mj7 s TYR 59 Cb -0.13 -1.54 -0.02 0.00 -0.11 0.00 0.00 41.96 40.17 1mj7 s TYR 59 CO -0.05 0.49 0.82 1.21 -1.11 0.00 0.00 175.55 176.91 1mj7 s ASN 60 N -2.42 7.00 0.36 2.29 3.84 0.12 -4.92 114.94 121.21 1mj7 s ASN 60 Ca 0.27 1.23 0.16 0.00 0.21 0.00 0.00 52.86 54.73 1mj7 s ASN 60 Cb -0.11 -2.46 1.12 0.00 -0.55 0.00 0.00 41.25 39.24 1mj7 s ASN 60 CO 0.19 -0.34 1.67 -0.33 -2.79 0.00 0.00 177.10 175.51 1mj7 h GLU 61 N 7.18 0.31 0.00 0.43 4.39 -1.95 0.29 114.58 125.22 1mj7 h GLU 61 Ca -0.32 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.34 1mj7 h GLU 61 Cb 1.15 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1mj7 h GLU 61 CO 0.81 0.21 -0.07 0.87 -1.16 0.00 0.00 179.01 179.67 1mj7 h LYS 62 N 0.32 0.00 -0.27 2.33 1.57 -1.94 -2.76 116.57 115.82 1mj7 h LYS 62 Ca 0.72 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.50 1mj7 h LYS 62 Cb 1.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.04 1mj7 h LYS 62 CO -0.54 0.07 0.00 1.19 -0.57 0.00 0.00 179.45 179.59 1mj7 n PHE 63 N -3.93 0.35 -1.59 -1.35 3.72 0.99 -4.91 117.46 110.73 1mj7 n PHE 63 Ca -0.03 -0.21 -0.42 0.00 -0.05 0.00 0.00 57.45 56.75 1mj7 n PHE 63 Cb 0.16 -0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.70 1mj7 n PHE 63 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1mj7 n LYS 64 N 1.19 1.29 0.00 -1.08 5.02 -1.04 -1.86 118.16 121.67 1mj7 n LYS 64 Ca 0.15 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 1mj7 n LYS 64 Cb 0.52 -1.97 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 1mj7 n LYS 64 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1mj7 n ASN 65 N 0.67 0.00 -0.34 4.39 4.13 -1.26 -4.42 115.26 118.43 1mj7 n ASN 65 Ca 0.10 0.00 0.20 0.00 1.68 0.00 0.00 54.58 56.55 1mj7 n ASN 65 Cb 0.38 0.00 0.42 0.00 -1.54 0.00 0.00 39.78 39.04 1mj7 n ASN 65 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 1mj7 h LYS 66 N 0.00 0.48 -6.57 3.52 1.63 -1.86 -3.39 116.57 110.38 1mj7 h LYS 66 Ca 0.00 -0.03 -0.68 0.00 -0.85 0.00 0.00 60.65 59.09 1mj7 h LYS 66 Cb 0.00 -0.11 -0.21 0.00 -0.60 0.00 0.00 32.23 31.32 1mj7 h LYS 66 CO 0.00 0.32 -0.79 0.00 -3.45 0.00 0.00 179.45 175.53 1mj7 s ALA 67 N -5.72 2.68 -0.12 5.00 0.00 -0.78 -4.09 121.76 118.73 1mj7 s ALA 67 Ca -0.10 -1.20 -0.02 0.00 0.00 0.00 0.00 51.96 50.63 1mj7 s ALA 67 Cb 0.28 -0.78 0.04 0.00 0.00 0.00 0.00 23.12 22.66 1mj7 s ALA 67 CO 0.80 0.58 0.02 0.99 0.00 0.00 0.00 175.76 178.15 1mj7 s THR 68 N -0.99 0.35 -0.21 0.00 2.01 -0.16 -4.78 115.64 111.85 1mj7 s THR 68 Ca 0.16 -0.09 -0.13 0.00 0.31 0.00 0.00 61.69 61.94 1mj7 s THR 68 Cb -0.11 -0.66 -0.05 0.00 0.01 0.00 0.00 72.50 71.69 1mj7 s THR 68 CO 0.07 0.06 0.25 -0.76 -0.69 0.00 0.00 174.62 173.55 1mj7 s LEU 69 N 1.97 4.15 0.22 4.42 1.43 -1.26 -0.69 118.68 128.92 1mj7 s LEU 69 Ca 0.03 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 1mj7 s LEU 69 Cb -0.14 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 1mj7 s LEU 69 CO -0.06 0.03 0.14 0.42 0.23 0.00 0.00 176.35 177.11 1mj7 s THR 70 N 1.00 0.08 -0.10 5.49 -4.23 -0.23 -5.01 115.64 112.63 1mj7 s THR 70 Ca 0.13 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.55 1mj7 s THR 70 Cb -0.14 -2.52 0.03 0.00 1.34 0.00 0.00 72.50 71.22 1mj7 s THR 70 CO 0.05 0.00 0.27 0.68 -0.54 0.00 0.00 174.62 175.08 1mj7 s VAL 71 N -4.03 -0.01 -0.53 2.29 -7.23 -1.26 -0.27 120.40 109.35 1mj7 s VAL 71 Ca 0.39 0.02 -0.05 0.00 -1.81 0.00 0.00 61.98 60.53 1mj7 s VAL 71 Cb 0.07 -0.39 0.14 0.00 0.56 0.00 0.00 36.38 36.76 1mj7 s VAL 71 CO 0.14 0.01 0.37 -0.62 -0.31 0.00 0.00 175.10 174.69 1mj7 s ASP 72 N 0.34 5.48 0.32 4.85 -1.08 -0.01 -4.94 116.67 121.63 1mj7 s ASP 72 Ca -0.02 -2.35 0.04 0.00 -0.52 0.00 0.00 52.55 49.70 1mj7 s ASP 72 Cb -0.03 -1.91 0.64 0.00 -1.46 0.00 0.00 42.92 40.16 1mj7 s ASP 72 CO -0.01 -0.52 1.88 0.71 0.52 0.00 0.00 175.17 177.74 1mj7 h THR 73 N 5.79 0.94 -0.19 1.71 1.35 -1.95 1.04 112.91 121.61 1mj7 h THR 73 Ca -0.09 -0.31 0.02 0.00 -0.55 0.00 0.00 66.41 65.49 1mj7 h THR 73 Cb 1.02 -0.03 -0.04 0.00 -1.73 0.00 0.00 68.15 67.37 1mj7 h THR 73 CO 0.75 0.16 -0.28 0.28 -0.25 0.00 0.00 175.52 176.18 1mj7 h SER 74 N 0.89 -0.94 -0.03 5.36 0.02 -1.97 -1.76 113.55 115.13 1mj7 h SER 74 Ca 0.44 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.51 1mj7 h SER 74 Cb 0.46 0.38 0.00 0.00 0.14 0.00 0.00 62.40 63.38 1mj7 h SER 74 CO -0.20 -0.21 0.00 -1.54 -1.14 0.00 0.00 176.83 173.74 1mj7 n SER 75 N -4.06 1.60 -3.44 3.07 3.41 -1.09 -4.98 113.62 108.13 1mj7 n SER 75 Ca -0.02 -1.55 -0.19 0.00 -0.26 0.00 0.00 58.87 56.86 1mj7 n SER 75 Cb 0.18 -0.01 0.01 0.00 -0.26 0.00 0.00 64.21 64.12 1mj7 n SER 75 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1mj7 n SER 76 N 0.25 -6.11 -3.73 4.04 2.88 0.35 -5.01 113.62 106.29 1mj7 n SER 76 Ca 0.18 -0.41 -0.12 0.00 -1.33 0.00 0.00 58.87 57.19 1mj7 n SER 76 Cb 0.37 -3.06 -0.12 0.00 -0.75 0.00 0.00 64.21 60.64 1mj7 n SER 76 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1mj7 s THR 77 N -2.67 -0.02 0.20 2.46 -1.32 -0.92 -4.99 115.64 108.38 1mj7 s THR 77 Ca 0.10 0.09 -0.08 0.00 -1.21 0.00 0.00 61.69 60.58 1mj7 s THR 77 Cb -0.02 -0.44 -0.07 0.00 -1.51 0.00 0.00 72.50 70.46 1mj7 s THR 77 CO 0.84 0.04 0.50 0.00 -2.21 0.00 0.00 174.62 173.79 1mj7 s ALA 78 N 0.94 3.63 0.03 11.08 0.00 -1.26 -0.83 121.76 135.35 1mj7 s ALA 78 Ca -0.06 -0.35 0.03 0.00 0.00 0.00 0.00 51.96 51.57 1mj7 s ALA 78 Cb -0.07 -2.35 -0.02 0.00 0.00 0.00 0.00 23.12 20.68 1mj7 s ALA 78 CO -0.07 0.56 -0.09 0.71 0.00 0.00 0.00 175.76 176.87 1mj7 s TYR 79 N -1.77 0.79 -0.10 0.00 2.02 0.63 -0.64 117.35 118.27 1mj7 s TYR 79 Ca 0.45 -0.36 -0.00 0.00 -0.37 0.00 0.00 57.07 56.79 1mj7 s TYR 79 Cb -0.11 -0.48 0.02 0.00 -0.40 0.00 0.00 41.96 40.99 1mj7 s TYR 79 CO 0.22 -0.03 -0.07 1.41 -1.57 0.00 0.00 175.55 175.51 1mj7 s MET 80 N -1.12 1.41 -0.23 -0.62 -2.45 -0.47 -1.07 119.30 114.74 1mj7 s MET 80 Ca -0.04 -0.22 -0.09 0.00 -1.25 0.00 0.00 55.69 54.10 1mj7 s MET 80 Cb -0.07 -1.49 -0.04 0.00 1.25 0.00 0.00 34.83 34.48 1mj7 s MET 80 CO 0.01 -0.25 0.12 -1.14 1.05 0.00 0.00 175.02 174.81 1mj7 s GLN 81 N 1.66 3.93 0.34 4.11 0.74 0.13 0.57 119.66 131.13 1mj7 s GLN 81 Ca 0.03 -0.35 0.06 0.00 0.05 0.00 0.00 55.36 55.15 1mj7 s GLN 81 Cb -0.13 -3.43 0.06 0.00 1.10 0.00 0.00 33.01 30.61 1mj7 s GLN 81 CO -0.07 0.01 0.46 1.28 -0.55 0.00 0.00 175.29 176.42 1mj7 n LEU 82 N 4.38 0.00 0.00 3.68 4.77 0.87 -0.99 117.00 129.71 1mj7 n LEU 82 Ca -0.15 -1.47 0.00 0.00 -0.03 0.00 0.00 56.01 54.35 1mj7 n LEU 82 Cb 0.52 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1mj7 n LEU 82 CO 0.34 -0.62 0.00 -1.54 -1.33 0.00 0.00 177.39 174.24 1mj7 n SER 82 N -2.58 0.00 -4.75 -1.43 3.41 -1.09 -1.33 113.62 105.84 1mj7 n SER 82 Ca 0.09 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.35 1mj7 n SER 82 Cb 0.35 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.34 1mj7 n SER 82 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1mj7 s LEU 82 N 0.00 3.59 0.33 1.04 1.02 -0.49 -4.64 118.68 119.53 1mj7 s LEU 82 Ca 0.00 2.30 0.03 0.00 0.02 0.00 0.00 54.13 56.49 1mj7 s LEU 82 Cb 0.00 -4.59 -0.04 0.00 0.02 0.00 0.00 46.19 41.58 1mj7 s LEU 82 CO 0.00 -1.65 0.14 0.28 0.02 0.00 0.00 176.35 175.14 1mj7 s THR 83 N -1.77 0.51 0.27 5.49 -1.32 -1.26 -1.42 115.64 116.13 1mj7 s THR 83 Ca 0.75 -2.00 -0.00 0.00 -1.21 0.00 0.00 61.69 59.23 1mj7 s THR 83 Cb -0.28 -2.51 0.26 0.00 -1.51 0.00 0.00 72.50 68.46 1mj7 s THR 83 CO 0.35 0.00 1.83 0.28 -2.21 0.00 0.00 174.62 174.87 1mj7 h SER 84 N 2.10 0.87 -0.24 8.08 0.02 -1.97 0.22 113.55 122.62 1mj7 h SER 84 Ca -0.35 0.05 0.07 0.00 -0.84 0.00 0.00 61.79 60.72 1mj7 h SER 84 Cb 1.25 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 1mj7 h SER 84 CO 0.55 0.47 0.32 0.44 -1.14 0.00 0.00 176.83 177.48 1mj7 h ASP 85 N 0.95 0.00 1.32 3.07 3.45 -1.98 0.13 116.42 123.37 1mj7 h ASP 85 Ca 0.47 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.93 1mj7 h ASP 85 Cb 0.44 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.21 1mj7 h ASP 85 CO -0.26 0.00 -0.40 0.44 -1.57 0.00 0.00 179.24 177.45 1mj7 h ASP 86 N 0.00 0.00 -2.49 6.45 3.32 -0.95 -3.45 116.42 119.30 1mj7 h ASP 86 Ca 0.11 -0.06 -0.54 0.00 0.02 0.00 0.00 57.03 56.56 1mj7 h ASP 86 Cb 0.76 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.31 1mj7 h ASP 86 CO -0.00 0.03 1.16 -0.44 -1.72 0.00 0.00 179.24 178.27 1mj7 s SER 87 N -5.05 6.56 -0.13 6.45 0.01 0.45 -4.87 113.70 117.12 1mj7 s SER 87 Ca 0.06 2.46 -0.34 0.00 1.31 0.00 0.00 55.95 59.44 1mj7 s SER 87 Cb 0.10 -2.53 0.15 0.00 0.21 0.00 0.00 66.02 63.95 1mj7 s SER 87 CO 0.69 -0.99 1.44 0.00 0.41 0.00 0.00 173.24 174.79 1mj7 s ALA 88 N 4.20 -2.47 0.23 1.44 0.00 -0.80 -4.70 121.76 119.67 1mj7 s ALA 88 Ca 0.81 1.11 -0.26 0.00 0.00 0.00 0.00 51.96 53.62 1mj7 s ALA 88 Cb -0.38 0.13 -0.09 0.00 0.00 0.00 0.00 23.12 22.78 1mj7 s ALA 88 CO 0.35 -0.98 0.86 -0.06 0.00 0.00 0.00 175.76 175.93 1mj7 s PHE 89 N -2.02 3.85 -0.12 0.00 0.40 0.16 -1.01 117.98 119.23 1mj7 s PHE 89 Ca 0.15 1.72 0.02 0.00 -0.60 0.00 0.00 56.93 58.21 1mj7 s PHE 89 Cb 0.07 -2.85 0.02 0.00 0.51 0.00 0.00 43.02 40.76 1mj7 s PHE 89 CO -0.06 0.40 -0.16 0.71 0.70 0.00 0.00 175.22 176.81 1mj7 s TYR 90 N -1.32 2.13 0.11 0.36 1.51 0.44 -0.46 117.35 120.12 1mj7 s TYR 90 Ca 0.42 -1.05 0.09 0.00 -1.01 0.00 0.00 57.07 55.51 1mj7 s TYR 90 Cb -0.22 -1.52 -0.04 0.00 -0.11 0.00 0.00 41.96 40.07 1mj7 s TYR 90 CO 0.27 -0.53 -0.17 0.71 -1.11 0.00 0.00 175.55 174.71 1mj7 s TYR 91 N 1.04 2.55 -0.10 2.71 2.02 -0.05 -0.30 117.35 125.22 1mj7 s TYR 91 Ca -0.05 -0.25 -0.00 0.00 -0.37 0.00 0.00 57.07 56.40 1mj7 s TYR 91 Cb -0.15 -1.36 -0.03 0.00 -0.40 0.00 0.00 41.96 40.03 1mj7 s TYR 91 CO -0.03 0.38 -0.08 0.00 -1.57 0.00 0.00 175.55 174.25 1mj7 s VAL 93 N -0.30 0.62 -0.16 0.00 0.11 0.10 -1.04 120.40 119.73 1mj7 s VAL 93 Ca 0.04 -0.12 -0.25 0.00 -2.93 0.00 0.00 61.98 58.73 1mj7 s VAL 93 Cb -0.13 -0.67 -0.02 0.00 -1.53 0.00 0.00 36.38 34.04 1mj7 s VAL 93 CO 0.02 0.27 0.80 -0.60 -3.33 0.00 0.00 175.10 172.26 1mj7 s ARG 94 N 1.27 4.30 -0.21 1.54 3.00 -0.89 -0.32 118.95 127.64 1mj7 s ARG 94 Ca -0.05 0.96 -0.06 0.00 -1.00 0.00 0.00 55.73 55.58 1mj7 s ARG 94 Cb -0.14 -3.57 -0.03 0.00 0.00 0.00 0.00 34.95 31.22 1mj7 s ARG 94 CO -0.02 -0.29 0.02 0.21 0.00 0.00 0.00 175.30 175.22 1mj7 s LYS 95 N 2.02 3.66 -0.03 5.12 2.36 -0.01 -0.54 119.74 132.32 1mj7 s LYS 95 Ca 0.37 -0.50 -0.03 0.00 -2.55 0.00 0.00 55.97 53.27 1mj7 s LYS 95 Cb -0.17 -3.14 -0.02 0.00 -1.05 0.00 0.00 37.83 33.46 1mj7 s LYS 95 CO 0.13 -0.00 0.21 -0.44 1.55 0.00 0.00 175.35 176.79 1mj7 h ASP 96 N 7.57 -0.09 -1.06 1.43 3.45 -1.91 -1.64 116.42 124.17 1mj7 h ASP 96 Ca -0.36 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.10 1mj7 h ASP 96 Cb 1.18 0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.97 1mj7 h ASP 96 CO 0.61 0.13 -0.05 2.22 -1.57 0.00 0.00 179.24 180.58 1mj7 n PHE 100 N -3.31 0.00 -2.49 4.55 -0.00 -1.26 -5.03 117.46 109.91 1mj7 n PHE 100 Ca -0.01 0.00 -0.40 0.00 -0.00 0.00 0.00 57.45 57.03 1mj7 n PHE 100 Cb 0.04 -0.07 -0.04 0.00 -0.00 0.00 0.00 39.48 39.40 1mj7 n PHE 100 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 1mj7 s PRO 101 N -0.05 4.65 -0.48 3.97 0.04 -1.26 -5.00 135.00 136.87 1mj7 s PRO 101 Ca 0.00 1.78 -0.14 0.00 0.04 0.00 0.00 61.00 62.68 1mj7 s PRO 101 Cb 0.00 -3.20 0.09 0.00 0.04 0.00 0.00 34.50 31.43 1mj7 s PRO 101 CO 0.00 0.22 0.39 -0.47 0.04 0.00 0.00 177.00 177.18 1mj7 s TYR 102 N -1.08 3.27 0.39 0.56 6.14 0.30 -4.92 117.35 122.01 1mj7 s TYR 102 Ca 0.45 -1.16 -0.25 0.00 0.64 0.00 0.00 57.07 56.74 1mj7 s TYR 102 Cb -0.31 -3.28 -0.09 0.00 0.42 0.00 0.00 41.96 38.69 1mj7 s TYR 102 CO 0.40 -0.86 1.12 -1.58 0.64 0.00 0.00 175.55 175.26 1mj7 s TRP 103 N 1.58 3.18 0.73 4.97 0.52 -1.26 -2.09 118.94 126.56 1mj7 s TRP 103 Ca 0.04 1.60 -0.06 0.00 0.02 0.00 0.00 56.10 57.70 1mj7 s TRP 103 Cb -0.25 -3.28 0.09 0.00 -1.15 0.00 0.00 33.47 28.87 1mj7 s TRP 103 CO 0.05 -0.99 1.03 0.20 0.02 0.00 0.00 176.95 177.26 1mj7 s GLY 104 N -1.28 1.72 0.38 0.98 0.00 -0.21 -4.88 107.32 104.03 1mj7 s GLY 104 Ca 0.56 -1.10 0.14 0.00 0.00 0.00 0.00 44.72 44.32 1mj7 s GLY 104 CO 0.34 -0.64 1.84 0.06 0.00 0.00 0.00 173.10 174.70 1mj7 h GLN 105 N -0.67 0.00 0.00 2.90 3.07 -1.88 -3.45 115.11 115.08 1mj7 h GLN 105 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.31 1mj7 h GLN 105 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.86 1mj7 h GLN 105 CO 0.54 0.35 0.00 0.41 0.09 0.00 0.00 178.83 180.23 1mj7 n GLY 106 N -0.43 -0.71 3.25 0.06 0.00 -1.26 -5.00 105.19 101.10 1mj7 n GLY 106 Ca -0.02 -1.50 -0.34 0.00 0.00 0.00 0.00 46.02 44.17 1mj7 n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mj7 s THR 107 N -3.15 2.84 -0.58 2.61 2.01 0.59 -4.43 115.64 115.52 1mj7 s THR 107 Ca 0.00 -0.69 -0.22 0.00 0.31 0.00 0.00 61.69 61.09 1mj7 s THR 107 Cb 0.00 -2.25 0.06 0.00 0.01 0.00 0.00 72.50 70.32 1mj7 s THR 107 CO 0.00 0.48 0.88 -0.22 -0.69 0.00 0.00 174.62 175.08 1mj7 s LEU 108 N 1.20 4.41 -0.17 4.42 2.96 -0.93 -0.42 118.68 130.15 1mj7 s LEU 108 Ca 0.02 -0.73 -0.23 0.00 -0.22 0.00 0.00 54.13 52.97 1mj7 s LEU 108 Cb -0.14 -2.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.94 1mj7 s LEU 108 CO -0.05 -1.24 0.74 -0.69 -1.32 0.00 0.00 176.35 173.79 1mj7 s VAL 109 N 3.71 4.95 -0.24 1.68 1.01 -0.18 -2.64 120.40 128.70 1mj7 s VAL 109 Ca 0.24 1.43 -0.03 0.00 0.00 0.00 0.00 61.98 63.62 1mj7 s VAL 109 Cb -0.16 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 32.19 1mj7 s VAL 109 CO 0.14 0.08 -0.06 -0.89 0.00 0.00 0.00 175.10 174.38 1mj7 s THR 110 N 1.92 3.04 -0.33 3.92 2.01 -0.32 -1.90 115.64 123.98 1mj7 s THR 110 Ca 0.34 -0.82 -0.17 0.00 0.31 0.00 0.00 61.69 61.36 1mj7 s THR 110 Cb -0.16 -2.47 -0.01 0.00 0.01 0.00 0.00 72.50 69.86 1mj7 s THR 110 CO 0.12 0.29 0.46 -0.69 -0.69 0.00 0.00 174.62 174.11 1mj7 s VAL 111 N 1.39 5.08 -0.04 3.82 1.01 -1.26 -1.21 120.40 129.19 1mj7 s VAL 111 Ca 0.03 0.36 -0.29 0.00 0.00 0.00 0.00 61.98 62.07 1mj7 s VAL 111 Cb -0.16 -3.88 0.11 0.00 0.00 0.00 0.00 36.38 32.45 1mj7 s VAL 111 CO -0.04 -0.10 0.92 -0.55 0.00 0.00 0.00 175.10 175.33 1mj7 s SER 112 N 1.72 -0.35 0.00 3.32 0.15 -0.68 -4.79 113.70 113.07 1mj7 s SER 112 Ca 0.17 0.04 0.25 0.00 0.70 0.00 0.00 55.95 57.11 1mj7 s SER 112 Cb -0.16 0.36 0.46 0.00 -1.71 0.00 0.00 66.02 64.96 1mj7 s SER 112 CO 0.12 -0.56 1.38 0.00 1.20 0.00 0.00 173.24 175.38 1mj7 n ALA 113 N -0.13 3.30 -1.22 5.45 0.00 -1.26 -3.91 120.51 122.74 1mj7 n ALA 113 Ca -0.08 -0.49 -0.31 0.00 0.00 0.00 0.00 53.44 52.56 1mj7 n ALA 113 Cb 0.61 -1.00 0.10 0.00 0.00 0.00 0.00 19.45 19.16 1mj7 n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mj7 s ALA 114 N -2.51 2.08 0.14 0.00 0.00 -1.26 -5.02 121.76 115.19 1mj7 s ALA 114 Ca 0.22 0.22 0.02 0.00 0.00 0.00 0.00 51.96 52.41 1mj7 s ALA 114 Cb 0.19 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 1mj7 s ALA 114 CO 0.55 -1.92 0.28 -1.59 0.00 0.00 0.00 175.76 173.08 1mj7 s LYS 115 N -4.90 3.45 0.08 0.00 -2.85 -1.26 -5.03 119.74 109.24 1mj7 s LYS 115 Ca 0.62 -0.54 -0.31 0.00 -1.00 0.00 0.00 55.97 54.74 1mj7 s LYS 115 Cb -0.18 -2.97 -0.08 0.00 -2.06 0.00 0.00 37.83 32.55 1mj7 s LYS 115 CO 0.56 0.53 1.46 -0.08 0.10 0.00 0.00 175.35 177.92 1mj7 s THR 116 N -1.71 3.29 -0.19 3.79 -1.32 -1.26 -4.73 115.64 113.51 1mj7 s THR 116 Ca 0.35 0.84 -0.02 0.00 -1.21 0.00 0.00 61.69 61.65 1mj7 s THR 116 Cb -0.11 -3.54 0.06 0.00 -1.51 0.00 0.00 72.50 67.39 1mj7 s THR 116 CO 0.28 0.04 0.01 -0.89 -2.21 0.00 0.00 174.62 171.85 1mj7 s THR 117 N 1.72 0.76 0.65 5.08 2.01 0.39 -4.95 115.64 121.30 1mj7 s THR 117 Ca 0.67 -0.63 -0.17 0.00 0.31 0.00 0.00 61.69 61.86 1mj7 s THR 117 Cb -0.37 -1.16 -0.02 0.00 0.01 0.00 0.00 72.50 70.96 1mj7 s THR 117 CO 0.30 -0.12 1.01 0.00 -0.69 0.00 0.00 174.62 175.12 1mj7 n ALA 118 N 4.97 0.19 -2.00 7.40 0.00 -1.26 -0.92 120.51 128.89 1mj7 n ALA 118 Ca -0.10 -0.06 -0.30 0.00 0.00 0.00 0.00 53.44 52.98 1mj7 n ALA 118 Cb 0.47 -2.14 -0.00 0.00 0.00 0.00 0.00 19.45 17.77 1mj7 n ALA 118 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1mj7 s PRO 119 N -3.05 3.64 -0.20 0.00 0.04 -1.26 -4.54 135.00 129.63 1mj7 s PRO 119 Ca 0.77 0.60 -0.09 0.00 0.04 0.00 0.00 61.00 62.32 1mj7 s PRO 119 Cb -0.39 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 1mj7 s PRO 119 CO 0.46 -0.39 0.10 -1.12 0.04 0.00 0.00 177.00 176.09 1mj7 s SER 120 N -3.95 5.89 -0.31 6.66 0.01 0.33 -4.94 113.70 117.39 1mj7 s SER 120 Ca 0.53 0.13 -0.04 0.00 1.31 0.00 0.00 55.95 57.88 1mj7 s SER 120 Cb -0.11 -2.03 0.04 0.00 0.21 0.00 0.00 66.02 64.13 1mj7 s SER 120 CO 0.47 0.15 0.04 -0.69 0.41 0.00 0.00 173.24 173.62 1mj7 s VAL 121 N 0.52 3.39 -0.14 3.43 1.01 -1.26 -0.78 120.40 126.57 1mj7 s VAL 121 Ca 0.06 -1.17 -0.04 0.00 0.00 0.00 0.00 61.98 60.83 1mj7 s VAL 121 Cb -0.12 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 1mj7 s VAL 121 CO 0.00 -0.08 -0.02 -0.31 0.00 0.00 0.00 175.10 174.70 1mj7 s TYR 122 N 1.35 3.09 0.37 5.22 2.02 0.11 -4.97 117.35 124.53 1mj7 s TYR 122 Ca -0.02 -0.10 -0.24 0.00 -0.37 0.00 0.00 57.07 56.33 1mj7 s TYR 122 Cb -0.19 -1.92 -0.10 0.00 -0.40 0.00 0.00 41.96 39.35 1mj7 s TYR 122 CO 0.00 0.14 0.97 -1.25 -1.57 0.00 0.00 175.55 173.85 1mj7 s PRO 123 N -0.02 4.39 -0.22 -1.71 0.04 -1.26 -0.51 135.00 135.71 1mj7 s PRO 123 Ca 0.02 1.33 0.01 0.00 0.04 0.00 0.00 61.00 62.40 1mj7 s PRO 123 Cb -0.13 -2.59 0.06 0.00 0.04 0.00 0.00 34.50 31.87 1mj7 s PRO 123 CO 0.02 0.10 -0.06 -0.51 0.04 0.00 0.00 177.00 176.59 1mj7 s LEU 124 N -2.46 2.41 0.14 -3.56 1.43 -0.57 -4.86 118.68 111.21 1mj7 s LEU 124 Ca 0.55 -1.07 0.07 0.00 -1.03 0.00 0.00 54.13 52.65 1mj7 s LEU 124 Cb -0.17 -1.16 -0.04 0.00 0.03 0.00 0.00 46.19 44.85 1mj7 s LEU 124 CO 0.22 -0.22 -0.04 0.00 0.23 0.00 0.00 176.35 176.55 1mj7 s ALA 125 N 1.42 3.11 0.10 4.21 0.00 -1.26 -0.56 121.76 128.78 1mj7 s ALA 125 Ca -0.04 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.61 1mj7 s ALA 125 Cb -0.18 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 21.98 1mj7 s ALA 125 CO -0.07 0.56 0.00 -2.30 0.00 0.00 0.00 175.76 173.95 1mj7 n PRO 126 N 0.25 3.77 0.03 0.00 -0.02 -1.26 -4.90 135.00 132.87 1mj7 n PRO 126 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1mj7 n PRO 126 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 1mj7 n PRO 126 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1mj7 n SER 136 N 0.00 0.00 -4.28 2.55 3.41 -1.26 -4.60 113.62 109.44 1mj7 n SER 136 Ca 0.00 0.05 -0.15 0.00 -0.26 0.00 0.00 58.87 58.51 1mj7 n SER 136 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 1mj7 n SER 136 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1mj7 s SER 137 N -1.76 1.70 0.01 4.04 1.04 -1.26 -1.69 113.70 115.79 1mj7 s SER 137 Ca 0.00 -1.13 0.03 0.00 0.48 0.00 0.00 55.95 55.33 1mj7 s SER 137 Cb 0.00 0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.13 1mj7 s SER 137 CO 0.00 -0.45 -0.08 0.54 0.98 0.00 0.00 173.24 174.23 1mj7 s VAL 138 N -3.43 0.62 -0.23 5.02 0.11 0.43 -4.48 120.40 118.44 1mj7 s VAL 138 Ca 0.23 -0.55 -0.03 0.00 -2.93 0.00 0.00 61.98 58.70 1mj7 s VAL 138 Cb 0.04 -0.56 0.01 0.00 -1.53 0.00 0.00 36.38 34.34 1mj7 s VAL 138 CO 0.05 0.02 -0.05 -0.89 -3.33 0.00 0.00 175.10 170.89 1mj7 s THR 139 N -0.50 3.12 0.18 5.04 2.01 -1.26 -1.66 115.64 122.57 1mj7 s THR 139 Ca -0.00 -0.73 0.05 0.00 0.31 0.00 0.00 61.69 61.32 1mj7 s THR 139 Cb -0.05 -2.48 -0.04 0.00 0.01 0.00 0.00 72.50 69.94 1mj7 s THR 139 CO 0.00 0.33 0.16 -0.76 -0.69 0.00 0.00 174.62 173.66 1mj7 s LEU 140 N 1.41 3.86 0.32 4.42 1.43 -0.01 -4.46 118.68 125.65 1mj7 s LEU 140 Ca 0.04 -0.12 0.05 0.00 -1.03 0.00 0.00 54.13 53.07 1mj7 s LEU 140 Cb -0.15 -2.45 -0.03 0.00 0.03 0.00 0.00 46.19 43.58 1mj7 s LEU 140 CO -0.04 0.05 0.23 -0.83 0.23 0.00 0.00 176.35 175.99 1mj7 s GLY 141 N -3.22 2.22 -0.14 -3.19 0.00 0.27 -0.39 107.32 102.87 1mj7 s GLY 141 Ca 0.32 -1.88 -0.06 0.00 0.00 0.00 0.00 44.72 43.10 1mj7 s GLY 141 CO 0.24 -1.52 0.30 0.00 0.00 0.00 0.00 173.10 172.12 1mj7 s LEU 143 N 2.25 3.83 -0.43 0.00 2.96 0.33 -1.27 118.68 126.35 1mj7 s LEU 143 Ca -0.01 0.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.91 1mj7 s LEU 143 Cb -0.12 -2.01 0.12 0.00 0.50 0.00 0.00 46.19 44.68 1mj7 s LEU 143 CO -0.10 0.07 0.20 -0.69 -1.32 0.00 0.00 176.35 174.52 1mj7 s VAL 144 N 0.98 2.95 0.07 1.68 1.01 0.30 0.10 120.40 127.49 1mj7 s VAL 144 Ca 0.05 -2.45 0.03 0.00 0.00 0.00 0.00 61.98 59.62 1mj7 s VAL 144 Cb -0.14 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 1mj7 s VAL 144 CO 0.03 -0.71 0.03 -0.75 0.00 0.00 0.00 175.10 173.71 1mj7 s LYS 145 N 0.70 2.72 -1.20 2.72 2.20 0.04 -0.18 119.74 126.74 1mj7 s LYS 145 Ca 0.12 -0.74 -0.03 0.00 -0.36 0.00 0.00 55.97 54.96 1mj7 s LYS 145 Cb -0.22 -2.64 0.00 0.00 -1.51 0.00 0.00 37.83 33.47 1mj7 s LYS 145 CO -0.05 0.57 1.02 0.41 -0.36 0.00 0.00 175.35 176.93 1mj7 n GLY 146 N 0.67 -0.38 3.65 5.54 0.00 -0.86 -0.51 105.19 113.29 1mj7 n GLY 146 Ca -0.11 0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 1mj7 n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mj7 s TYR 147 N -3.33 2.76 -0.28 1.61 1.13 -0.85 -4.44 117.35 113.95 1mj7 s TYR 147 Ca 0.19 -0.19 -0.20 0.00 -1.41 0.00 0.00 57.07 55.46 1mj7 s TYR 147 Cb -0.08 -1.29 0.10 0.00 -1.10 0.00 0.00 41.96 39.59 1mj7 s TYR 147 CO 0.70 0.56 0.81 0.12 -2.51 0.00 0.00 175.55 175.23 1mj7 s PHE 148 N -1.98 -0.80 0.06 -3.49 2.19 -0.09 -0.31 117.98 113.55 1mj7 s PHE 148 Ca 0.29 1.73 0.00 0.00 0.33 0.00 0.00 56.93 59.28 1mj7 s PHE 148 Cb -0.08 0.44 0.01 0.00 -1.31 0.00 0.00 43.02 42.09 1mj7 s PHE 148 CO 0.19 -0.39 0.08 -0.35 1.83 0.00 0.00 175.22 176.58 1mj7 n PRO 149 N 3.46 0.65 -1.34 10.12 -0.04 -1.26 0.15 135.00 146.73 1mj7 n PRO 149 Ca -0.17 -0.25 -0.29 0.00 -0.04 0.00 0.00 63.50 62.75 1mj7 n PRO 149 Cb 0.57 -0.05 0.14 0.00 -0.04 0.00 0.00 33.50 34.12 1mj7 n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1mj7 s GLU 150 N -2.53 1.08 0.46 0.54 0.41 -1.26 -4.84 118.70 112.56 1mj7 s GLU 150 Ca 0.06 0.55 0.04 0.00 -0.41 0.00 0.00 54.97 55.20 1mj7 s GLU 150 Cb -0.00 -1.81 0.04 0.00 -1.78 0.00 0.00 34.13 30.57 1mj7 s GLU 150 CO 0.04 -2.29 0.29 -0.35 -0.49 0.00 0.00 175.26 172.46 1mj7 n PRO 151 N -3.88 0.83 -4.26 0.39 -0.04 -1.26 -4.83 135.00 121.95 1mj7 n PRO 151 Ca 0.06 -2.94 -0.18 0.00 -0.04 0.00 0.00 63.50 60.41 1mj7 n PRO 151 Cb 0.57 0.39 -0.13 0.00 -0.04 0.00 0.00 33.50 34.29 1mj7 n PRO 151 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1mj7 s VAL 152 N -2.34 0.85 -0.35 0.52 -7.23 -1.26 -4.25 120.40 106.35 1mj7 s VAL 152 Ca 0.22 -0.87 -0.06 0.00 -1.81 0.00 0.00 61.98 59.47 1mj7 s VAL 152 Cb -0.02 -0.80 0.05 0.00 0.56 0.00 0.00 36.38 36.18 1mj7 s VAL 152 CO 0.14 -0.06 0.12 -0.89 -0.31 0.00 0.00 175.10 174.10 1mj7 s THR 153 N -0.83 3.69 -0.06 5.32 2.01 -0.47 -4.93 115.64 120.37 1mj7 s THR 153 Ca -0.01 -1.29 -0.04 0.00 0.31 0.00 0.00 61.69 60.67 1mj7 s THR 153 Cb -0.07 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.24 1mj7 s THR 153 CO 0.01 -0.26 0.12 -0.22 -0.69 0.00 0.00 174.62 173.58 1mj7 s LEU 154 N 1.36 4.18 0.30 4.42 0.20 -1.26 -1.36 118.68 126.52 1mj7 s LEU 154 Ca -0.01 0.32 -0.01 0.00 0.69 0.00 0.00 54.13 55.13 1mj7 s LEU 154 Cb -0.20 -2.24 -0.02 0.00 -0.43 0.00 0.00 46.19 43.30 1mj7 s LEU 154 CO 0.02 0.33 0.35 0.42 -0.29 0.00 0.00 176.35 177.18 1mj7 s THR 157 N -1.14 0.00 -0.05 3.68 -4.23 -0.59 -4.99 115.64 108.32 1mj7 s THR 157 Ca 0.20 -1.77 0.03 0.00 -1.18 0.00 0.00 61.69 58.97 1mj7 s THR 157 Cb -0.12 -2.52 0.01 0.00 1.34 0.00 0.00 72.50 71.21 1mj7 s THR 157 CO 0.10 0.00 -0.14 0.26 -0.54 0.00 0.00 174.62 174.31 1mj7 s TRP 158 N -3.52 1.47 -1.67 3.99 0.52 -1.26 -1.53 118.94 116.94 1mj7 s TRP 158 Ca 0.34 -0.47 -0.16 0.00 0.02 0.00 0.00 56.10 55.83 1mj7 s TRP 158 Cb 0.02 -1.04 0.14 0.00 -1.15 0.00 0.00 33.47 31.44 1mj7 s TRP 158 CO 0.19 -0.21 0.72 0.09 0.02 0.00 0.00 176.95 177.77 1mj7 n ASN 162 N 3.48 -2.83 -2.82 2.95 3.02 0.13 -0.30 115.26 118.89 1mj7 n ASN 162 Ca -0.20 -1.02 -0.19 0.00 -0.03 0.00 0.00 54.58 53.13 1mj7 n ASN 162 Cb 0.53 -2.74 0.00 0.00 -0.61 0.00 0.00 39.78 36.96 1mj7 n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1mj7 n SER 163 N -2.70 -4.79 0.00 6.41 7.64 -1.26 -1.98 113.62 116.94 1mj7 n SER 163 Ca 0.02 -0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.79 1mj7 n SER 163 Cb 0.52 -3.96 0.00 0.00 -1.01 0.00 0.00 64.21 59.75 1mj7 n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mj7 n GLY 164 N -1.12 1.50 0.34 0.23 0.00 0.59 -4.96 105.19 101.77 1mj7 n GLY 164 Ca -0.12 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.98 1mj7 n GLY 164 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1mj7 h SER 165 N 0.00 0.51 -3.48 1.61 0.02 -1.27 -3.40 113.55 107.54 1mj7 h SER 165 Ca 0.00 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.30 1mj7 h SER 165 Cb 0.00 -0.11 -0.24 0.00 0.14 0.00 0.00 62.40 62.19 1mj7 h SER 165 CO 0.00 0.33 -0.67 -0.76 -1.14 0.00 0.00 176.83 174.60 1mj7 s LEU 166 N -9.53 3.22 0.00 5.07 1.43 -1.20 -4.91 118.68 112.76 1mj7 s LEU 166 Ca -0.09 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1mj7 s LEU 166 Cb 0.19 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.58 1mj7 s LEU 166 CO 0.76 0.02 0.00 -1.54 0.23 0.00 0.00 176.35 175.81 1mj7 n SER 167 N 4.57 0.72 -0.01 2.29 3.41 -1.26 -4.42 113.62 118.91 1mj7 n SER 167 Ca -0.17 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.30 1mj7 n SER 167 Cb 0.51 0.04 -0.08 0.00 -0.26 0.00 0.00 64.21 64.43 1mj7 n SER 167 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1mj7 h SER 168 N 0.00 -1.56 -0.45 4.04 0.02 -1.95 -2.33 113.55 111.32 1mj7 h SER 168 Ca 0.00 0.19 -0.23 0.00 -0.84 0.00 0.00 61.79 60.92 1mj7 h SER 168 Cb 0.16 0.62 -0.14 0.00 0.14 0.00 0.00 62.40 63.18 1mj7 h SER 168 CO 0.00 -0.46 0.29 0.61 -1.14 0.00 0.00 176.83 176.13 1mj7 n GLY 169 N -1.44 3.10 3.85 -3.77 0.00 -1.26 -4.95 105.19 100.73 1mj7 n GLY 169 Ca -0.05 -0.49 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 1mj7 n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mj7 s VAL 171 N -1.50 5.40 -0.13 1.61 1.01 -0.88 -0.22 120.40 125.69 1mj7 s VAL 171 Ca 0.26 0.35 -0.02 0.00 0.00 0.00 0.00 61.98 62.57 1mj7 s VAL 171 Cb 0.22 -3.48 0.04 0.00 0.00 0.00 0.00 36.38 33.16 1mj7 s VAL 171 CO 0.05 0.58 0.00 -1.00 0.00 0.00 0.00 175.10 174.73 1mj7 s HIS 172 N -0.79 0.98 -0.25 5.22 3.76 0.38 -4.99 115.29 119.60 1mj7 s HIS 172 Ca 0.16 -0.57 0.02 0.00 -0.15 0.00 0.00 55.06 54.52 1mj7 s HIS 172 Cb -0.13 -0.98 0.06 0.00 1.11 0.00 0.00 32.58 32.64 1mj7 s HIS 172 CO 0.05 -0.48 -0.08 0.99 -0.85 0.00 0.00 174.74 174.37 1mj7 s THR 173 N 1.87 1.91 -0.03 1.30 2.01 -1.26 0.52 115.64 121.95 1mj7 s THR 173 Ca 0.02 -1.50 -0.30 0.00 0.31 0.00 0.00 61.69 60.23 1mj7 s THR 173 Cb -0.14 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 70.24 1mj7 s THR 173 CO -0.07 -0.08 1.06 -0.36 -0.69 0.00 0.00 174.62 174.48 1mj7 s PHE 174 N 1.21 3.50 0.24 4.92 0.08 -0.88 -5.00 117.98 122.05 1mj7 s PHE 174 Ca -0.07 1.52 -0.30 0.00 0.12 0.00 0.00 56.93 58.20 1mj7 s PHE 174 Cb -0.20 -3.24 -0.14 0.00 -0.57 0.00 0.00 43.02 38.87 1mj7 s PHE 174 CO -0.06 -0.50 1.15 -2.30 -0.10 0.00 0.00 175.22 173.42 1mj7 n PRO 175 N 4.47 1.46 -0.99 0.24 -0.02 -1.26 -4.18 135.00 134.72 1mj7 n PRO 175 Ca 0.08 0.52 -0.33 0.00 -2.02 0.00 0.00 63.50 61.75 1mj7 n PRO 175 Cb 0.49 -2.00 0.14 0.00 -0.02 0.00 0.00 33.50 32.11 1mj7 n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mj7 n ALA 176 N 1.00 -0.43 -2.96 3.55 0.00 -1.26 -4.88 120.51 115.52 1mj7 n ALA 176 Ca 0.12 -0.40 -0.21 0.00 0.00 0.00 0.00 53.44 52.95 1mj7 n ALA 176 Cb 0.29 -2.19 -0.15 0.00 0.00 0.00 0.00 19.45 17.40 1mj7 n ALA 176 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1mj7 s VAL 177 N -2.25 0.86 -0.05 0.00 1.01 -0.76 -4.94 120.40 114.27 1mj7 s VAL 177 Ca 0.71 -0.41 -0.19 0.00 0.00 0.00 0.00 61.98 62.08 1mj7 s VAL 177 Cb -0.27 -0.76 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 1mj7 s VAL 177 CO 0.54 0.26 0.53 -0.22 0.00 0.00 0.00 175.10 176.22 1mj7 s LEU 178 N 0.12 4.36 -0.25 3.92 2.96 -1.26 -1.52 118.68 127.00 1mj7 s LEU 178 Ca -0.02 1.00 -0.02 0.00 -0.22 0.00 0.00 54.13 54.87 1mj7 s LEU 178 Cb -0.08 -2.80 0.14 0.00 0.50 0.00 0.00 46.19 43.94 1mj7 s LEU 178 CO 0.01 0.07 0.40 -1.58 -1.32 0.00 0.00 176.35 173.93 1mj7 s GLN 179 N 0.09 0.37 -1.03 1.98 2.00 -0.63 -4.94 119.66 117.50 1mj7 s GLN 179 Ca 0.29 0.50 -0.01 0.00 -2.00 0.00 0.00 55.36 54.13 1mj7 s GLN 179 Cb -0.17 -0.38 -0.02 0.00 0.80 0.00 0.00 33.01 33.24 1mj7 s GLN 179 CO 0.14 -0.70 0.87 0.43 -0.50 0.00 0.00 175.29 175.53 1mj7 n SER 180 N 5.37 -3.19 0.00 6.67 7.64 -1.26 -2.75 113.62 126.10 1mj7 n SER 180 Ca -0.03 -0.57 0.00 0.00 1.01 0.00 0.00 58.87 59.28 1mj7 n SER 180 Cb 0.50 -4.65 0.00 0.00 -1.01 0.00 0.00 64.21 59.05 1mj7 n SER 180 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1mj7 n ASP 183 N -2.94 -1.05 -4.07 6.43 8.00 -1.26 -4.96 116.55 116.69 1mj7 n ASP 183 Ca -0.20 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.07 1mj7 n ASP 183 Cb 0.64 -1.74 -0.15 0.00 -0.02 0.00 0.00 41.12 39.85 1mj7 n ASP 183 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1mj7 s LEU 184 N 0.00 1.90 0.22 0.64 1.43 -1.11 -4.81 118.68 116.95 1mj7 s LEU 184 Ca 0.00 -0.25 -0.17 0.00 -1.03 0.00 0.00 54.13 52.68 1mj7 s LEU 184 Cb 0.00 -0.72 -0.08 0.00 0.03 0.00 0.00 46.19 45.42 1mj7 s LEU 184 CO 0.00 0.12 0.67 -0.31 0.23 0.00 0.00 176.35 177.07 1mj7 s TYR 185 N -0.01 3.59 -0.02 0.29 2.02 0.58 -1.60 117.35 122.20 1mj7 s TYR 185 Ca -0.01 1.26 0.02 0.00 -0.37 0.00 0.00 57.07 57.97 1mj7 s TYR 185 Cb -0.08 -2.53 0.00 0.00 -0.40 0.00 0.00 41.96 38.95 1mj7 s TYR 185 CO 0.01 0.32 -0.08 0.99 -1.57 0.00 0.00 175.55 175.22 1mj7 s THR 186 N -1.58 0.69 -0.02 -0.71 2.01 -0.58 -2.01 115.64 113.44 1mj7 s THR 186 Ca 0.43 -0.31 -0.06 0.00 0.31 0.00 0.00 61.69 62.07 1mj7 s THR 186 Cb -0.15 -0.62 0.01 0.00 0.01 0.00 0.00 72.50 71.74 1mj7 s THR 186 CO 0.20 0.22 0.13 -0.22 -0.69 0.00 0.00 174.62 174.26 1mj7 s LEU 187 N 0.23 1.57 0.18 4.42 0.20 0.74 -1.84 118.68 124.18 1mj7 s LEU 187 Ca -0.03 0.00 0.06 0.00 0.69 0.00 0.00 54.13 54.85 1mj7 s LEU 187 Cb -0.08 0.54 -0.05 0.00 -0.43 0.00 0.00 46.19 46.17 1mj7 s LEU 187 CO 0.00 -0.21 -0.11 -0.94 -0.29 0.00 0.00 176.35 174.80 1mj7 s SER 188 N -0.69 2.13 -0.13 3.68 1.04 -1.26 0.11 113.70 118.57 1mj7 s SER 188 Ca -0.08 -1.03 -0.11 0.00 0.48 0.00 0.00 55.95 55.21 1mj7 s SER 188 Cb -0.05 -0.06 0.04 0.00 0.10 0.00 0.00 66.02 66.05 1mj7 s SER 188 CO 0.01 -0.28 0.34 -0.55 0.98 0.00 0.00 173.24 173.74 1mj7 s SER 189 N -3.24 -0.36 0.15 7.02 0.15 -0.40 -2.06 113.70 114.95 1mj7 s SER 189 Ca 0.20 0.69 0.11 0.00 0.70 0.00 0.00 55.95 57.65 1mj7 s SER 189 Cb 0.01 0.68 -0.04 0.00 -1.71 0.00 0.00 66.02 64.97 1mj7 s SER 189 CO 0.04 -0.13 -0.25 -0.94 1.20 0.00 0.00 173.24 173.16 1mj7 s SER 190 N 0.36 3.20 -0.03 5.45 1.04 0.18 -0.31 113.70 123.59 1mj7 s SER 190 Ca -0.01 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.63 1mj7 s SER 190 Cb -0.03 -0.21 0.03 0.00 0.10 0.00 0.00 66.02 65.90 1mj7 s SER 190 CO -0.01 0.13 0.00 0.54 0.98 0.00 0.00 173.24 174.88 1mj7 s VAL 191 N -1.35 0.16 -0.12 5.02 0.11 0.47 -0.47 120.40 124.22 1mj7 s VAL 191 Ca 0.15 0.10 0.01 0.00 -2.93 0.00 0.00 61.98 59.32 1mj7 s VAL 191 Cb -0.09 -0.26 -0.01 0.00 -1.53 0.00 0.00 36.38 34.49 1mj7 s VAL 191 CO 0.07 0.14 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.93 1mj7 s THR 192 N 1.07 2.70 0.06 5.04 2.01 0.70 -0.83 115.64 126.40 1mj7 s THR 192 Ca -0.09 -0.79 0.00 0.00 0.31 0.00 0.00 61.69 61.13 1mj7 s THR 192 Cb -0.13 -2.11 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 1mj7 s THR 192 CO -0.02 0.53 -0.05 0.68 -0.69 0.00 0.00 174.62 175.08 1mj7 s VAL 193 N 0.40 0.39 -0.30 3.82 -7.23 -0.66 -4.18 120.40 112.63 1mj7 s VAL 193 Ca -0.13 -1.72 -0.37 0.00 -1.81 0.00 0.00 61.98 57.95 1mj7 s VAL 193 Cb -0.17 -1.40 -0.13 0.00 0.56 0.00 0.00 36.38 35.24 1mj7 s VAL 193 CO 0.06 -0.87 1.99 0.41 -0.31 0.00 0.00 175.10 176.38 1mj7 n THR 194 N 0.28 0.27 -0.37 5.32 -1.04 -1.26 -0.43 114.28 117.06 1mj7 n THR 194 Ca -0.15 -0.15 0.29 0.00 -2.04 0.00 0.00 64.05 62.00 1mj7 n THR 194 Cb 0.60 -1.46 0.55 0.00 -1.82 0.00 0.00 70.33 68.20 1mj7 n THR 194 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1mj7 h SER 195 N 9.91 0.40 0.35 8.00 4.64 -1.55 0.14 113.55 135.45 1mj7 h SER 195 Ca -0.36 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1mj7 h SER 195 Cb 1.32 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 1mj7 h SER 195 CO 0.99 -0.17 0.00 -1.54 -0.87 0.00 0.00 176.83 175.24 1mj7 n SER 196 N -4.92 0.00 -1.11 4.97 3.41 -1.26 -2.91 113.62 111.80 1mj7 n SER 196 Ca 0.34 0.13 0.12 0.00 -0.26 0.00 0.00 58.87 59.20 1mj7 n SER 196 Cb 1.16 -0.32 0.22 0.00 -0.26 0.00 0.00 64.21 65.00 1mj7 n SER 196 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1mj7 n THR 198 N -1.32 0.45 -3.97 6.66 -2.24 0.50 -4.76 114.28 109.60 1mj7 n THR 198 Ca 0.07 -0.70 -0.14 0.00 -2.27 0.00 0.00 64.05 61.01 1mj7 n THR 198 Cb 0.14 0.98 -0.15 0.00 -2.10 0.00 0.00 70.33 69.20 1mj7 n THR 198 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1mj7 s TRP 199 N -1.55 0.22 -1.81 4.78 -0.00 -1.15 -0.41 118.94 119.02 1mj7 s TRP 199 Ca 0.38 -0.02 0.26 0.00 -0.00 0.00 0.00 56.10 56.72 1mj7 s TRP 199 Cb 0.22 -0.19 1.50 0.00 -0.00 0.00 0.00 33.47 35.00 1mj7 s TRP 199 CO 0.31 -0.03 1.92 -0.35 -0.00 0.00 0.00 176.95 178.80 1mj7 n PRO 200 N 3.28 0.68 -0.34 5.86 -0.04 -1.26 -4.91 135.00 138.27 1mj7 n PRO 200 Ca -0.16 0.02 0.11 0.00 -0.04 0.00 0.00 63.50 63.42 1mj7 n PRO 200 Cb 0.57 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.83 1mj7 n PRO 200 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1mj7 h SER 202 N 0.00 0.82 -3.81 3.54 4.64 -1.86 -3.23 113.55 113.65 1mj7 h SER 202 Ca 0.00 0.07 -0.69 0.00 -0.47 0.00 0.00 61.79 60.70 1mj7 h SER 202 Cb 0.08 -0.09 -0.36 0.00 -0.31 0.00 0.00 62.40 61.72 1mj7 h SER 202 CO 0.00 0.37 -0.51 -1.10 -0.87 0.00 0.00 176.83 174.71 1mj7 s GLN 203 N -5.86 2.13 0.30 4.77 -0.21 0.45 -5.07 119.66 116.17 1mj7 s GLN 203 Ca -0.11 -2.14 -0.26 0.00 0.02 0.00 0.00 55.36 52.87 1mj7 s GLN 203 Cb 0.23 -3.57 -0.15 0.00 1.00 0.00 0.00 33.01 30.53 1mj7 s GLN 203 CO 0.80 -1.10 0.58 -1.13 -2.12 0.00 0.00 175.29 172.33 1mj7 n SER 204 N 4.05 -0.81 -4.04 5.90 3.41 -1.22 -4.55 113.62 116.36 1mj7 n SER 204 Ca 0.02 1.05 -0.23 0.00 -0.26 0.00 0.00 58.87 59.45 1mj7 n SER 204 Cb 0.39 -1.05 -0.16 0.00 -0.26 0.00 0.00 64.21 63.13 1mj7 n SER 204 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1mj7 s ILE 205 N -1.21 1.07 -0.02 -1.33 1.01 -1.26 -5.00 121.20 114.46 1mj7 s ILE 205 Ca 0.62 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.80 1mj7 s ILE 205 Cb -0.76 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 40.76 1mj7 s ILE 205 CO 0.58 0.33 -0.08 -0.89 0.00 0.00 0.00 174.94 174.88 1mj7 s THR 206 N 0.30 0.66 -0.05 2.92 2.01 -1.26 -1.67 115.64 118.55 1mj7 s THR 206 Ca -0.07 -0.31 -0.21 0.00 0.31 0.00 0.00 61.69 61.42 1mj7 s THR 206 Cb -0.12 -0.58 -0.05 0.00 0.01 0.00 0.00 72.50 71.76 1mj7 s THR 206 CO 0.02 0.21 0.59 0.00 -0.69 0.00 0.00 174.62 174.74 1mj7 s ASN 209 N 0.28 2.99 -0.20 0.00 0.02 -0.58 -0.30 114.94 117.16 1mj7 s ASN 209 Ca 0.31 -0.58 0.01 0.00 -1.02 0.00 0.00 52.86 51.58 1mj7 s ASN 209 Cb -0.17 -1.38 0.04 0.00 0.02 0.00 0.00 41.25 39.76 1mj7 s ASN 209 CO 0.16 0.06 -0.09 -0.69 0.02 0.00 0.00 177.10 176.55 1mj7 s VAL 210 N 0.91 1.56 -0.13 1.60 1.01 0.11 -1.54 120.40 123.91 1mj7 s VAL 210 Ca -0.05 -0.97 -0.09 0.00 0.00 0.00 0.00 61.98 60.87 1mj7 s VAL 210 Cb -0.15 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1mj7 s VAL 210 CO -0.03 0.15 0.17 0.00 0.00 0.00 0.00 175.10 175.38 1mj7 s ALA 211 N 1.43 3.80 -0.43 5.51 0.00 -0.46 -0.24 121.76 131.36 1mj7 s ALA 211 Ca -0.01 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.36 1mj7 s ALA 211 Cb -0.16 -2.09 0.13 0.00 0.00 0.00 0.00 23.12 21.01 1mj7 s ALA 211 CO -0.08 0.45 0.23 -1.58 0.00 0.00 0.00 175.76 174.78 1mj7 s HIS 212 N -0.56 1.95 0.21 0.00 2.46 -0.24 -1.37 115.29 117.74 1mj7 s HIS 212 Ca 0.14 -2.38 -0.11 0.00 0.47 0.00 0.00 55.06 53.18 1mj7 s HIS 212 Cb -0.12 -1.86 0.29 0.00 -0.13 0.00 0.00 32.58 30.76 1mj7 s HIS 212 CO 0.03 -0.79 1.67 -1.35 -2.47 0.00 0.00 174.74 171.83 1mj7 h PRO 213 N 6.80 0.14 -0.79 2.88 0.11 -1.83 -0.86 132.00 138.44 1mj7 h PRO 213 Ca -0.01 -0.01 0.15 0.00 0.11 0.00 0.00 66.00 66.24 1mj7 h PRO 213 Cb 0.93 -0.03 -0.10 0.00 0.11 0.00 0.00 31.00 31.92 1mj7 h PRO 213 CO 0.48 0.09 0.35 0.00 -0.21 0.00 0.00 178.00 178.71 1mj7 h ALA 214 N 1.54 1.16 -0.08 -0.75 0.00 -1.85 -0.23 119.26 119.06 1mj7 h ALA 214 Ca 0.32 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1mj7 h ALA 214 Cb 0.51 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1mj7 h ALA 214 CO -0.50 -0.18 0.00 -1.13 0.00 0.00 0.00 179.25 177.44 1mj7 n SER 215 N -4.96 2.24 -3.92 0.00 3.41 -0.99 -4.97 113.62 104.43 1mj7 n SER 215 Ca 0.16 -1.75 -0.28 0.00 -0.26 0.00 0.00 58.87 56.73 1mj7 n SER 215 Cb 0.43 -0.04 0.01 0.00 -0.26 0.00 0.00 64.21 64.36 1mj7 n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1mj7 n SER 216 N 0.73 -2.97 -3.96 4.04 7.64 -0.10 -4.98 113.62 114.03 1mj7 n SER 216 Ca 0.17 -0.86 -0.15 0.00 1.01 0.00 0.00 58.87 59.03 1mj7 n SER 216 Cb 0.46 -3.62 -0.14 0.00 -1.01 0.00 0.00 64.21 59.90 1mj7 n SER 216 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1mj7 s THR 217 N -3.50 0.39 0.03 0.44 -4.23 -1.12 -5.01 115.64 102.64 1mj7 s THR 217 Ca 0.41 -0.28 0.07 0.00 -1.18 0.00 0.00 61.69 60.72 1mj7 s THR 217 Cb -0.21 -0.34 -0.02 0.00 1.34 0.00 0.00 72.50 73.26 1mj7 s THR 217 CO 0.85 0.07 -0.21 -0.54 -0.54 0.00 0.00 174.62 174.24 1mj7 s LYS 218 N -0.23 1.48 -0.02 3.99 1.02 -1.26 -1.08 119.74 123.64 1mj7 s LYS 218 Ca 0.01 -0.93 0.02 0.00 0.02 0.00 0.00 55.97 55.09 1mj7 s LYS 218 Cb -0.03 -1.57 0.00 0.00 -0.52 0.00 0.00 37.83 35.71 1mj7 s LYS 218 CO -0.00 0.41 -0.08 0.54 -0.92 0.00 0.00 175.35 175.30 1mj7 s VAL 219 N -0.75 0.70 -0.15 3.17 0.11 0.66 -4.93 120.40 119.19 1mj7 s VAL 219 Ca 0.08 -0.32 -0.01 0.00 -2.93 0.00 0.00 61.98 58.80 1mj7 s VAL 219 Cb -0.09 -0.62 -0.01 0.00 -1.53 0.00 0.00 36.38 34.13 1mj7 s VAL 219 CO 0.01 0.22 -0.10 -1.81 -3.33 0.00 0.00 175.10 170.09 1mj7 s ASP 220 N 0.16 4.13 -0.23 3.54 1.01 -1.26 0.05 116.67 124.08 1mj7 s ASP 220 Ca -0.02 -0.33 0.01 0.00 0.71 0.00 0.00 52.55 52.92 1mj7 s ASP 220 Cb -0.08 -1.65 0.05 0.00 1.01 0.00 0.00 42.92 42.26 1mj7 s ASP 220 CO 0.00 0.12 -0.09 -0.54 0.21 0.00 0.00 175.17 174.87 1mj7 s LYS 221 N 0.62 1.96 -0.02 8.23 -0.14 0.59 -4.95 119.74 126.04 1mj7 s LYS 221 Ca -0.06 -1.02 -0.30 0.00 -1.36 0.00 0.00 55.97 53.23 1mj7 s LYS 221 Cb -0.15 -2.60 -0.03 0.00 -1.68 0.00 0.00 37.83 33.37 1mj7 s LYS 221 CO 0.03 -0.52 1.08 0.21 -0.76 0.00 0.00 175.35 175.39 1mj7 s LYS 222 N 1.32 4.46 -0.21 1.68 2.20 -1.26 -0.86 119.74 127.07 1mj7 s LYS 222 Ca -0.05 1.55 -0.29 0.00 -0.36 0.00 0.00 55.97 56.82 1mj7 s LYS 222 Cb -0.18 -3.47 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 1mj7 s LYS 222 CO -0.07 -0.23 1.11 0.42 -0.36 0.00 0.00 175.35 176.22 1mj7 s ILE 223 N 1.45 4.56 0.11 5.43 -1.09 -0.67 -4.98 121.20 126.02 1mj7 s ILE 223 Ca 0.54 1.88 0.04 0.00 -2.23 0.00 0.00 60.65 60.87 1mj7 s ILE 223 Cb -0.23 -4.21 -0.04 0.00 -1.58 0.00 0.00 42.46 36.40 1mj7 s ILE 223 CO 0.25 -0.17 0.11 -1.61 -1.23 0.00 0.00 174.94 172.29 1mj7 s GLU 226 N 3.30 2.92 0.60 2.79 0.41 -1.26 -4.72 118.70 122.74 1mj7 s GLU 226 Ca 0.47 -0.75 -0.20 0.00 -0.41 0.00 0.00 54.97 54.09 1mj7 s GLU 226 Cb -0.17 -2.71 -0.03 0.00 -1.78 0.00 0.00 34.13 29.44 1mj7 s GLU 226 CO 0.09 0.53 1.33 -2.14 -0.49 0.00 0.00 175.26 174.58 1mj7 s PRO 227 N -2.69 2.83 0.00 0.39 0.02 -1.26 -4.74 135.00 129.54 1mj7 s PRO 227 Ca 0.30 2.15 0.31 0.00 0.02 0.00 0.00 61.00 63.78 1mj7 s PRO 227 Cb -0.11 -2.04 1.61 0.00 0.02 0.00 0.00 34.50 33.98 1mj7 s PRO 227 CO 0.23 -1.41 2.06 -2.13 -0.33 0.00 0.00 177.00 175.42