#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mjj s GLN 3 N 0.00 0.44 -0.19 5.55 -2.07 -0.81 -5.00 119.66 117.58 1mjj s GLN 3 Ca 0.00 -0.46 0.01 0.00 -1.82 0.00 0.00 55.36 53.09 1mjj s GLN 3 Cb 0.00 0.18 0.03 0.00 -1.09 0.00 0.00 33.01 32.13 1mjj s GLN 3 CO 0.00 -0.10 -0.16 -0.51 -1.32 0.00 0.00 175.29 173.20 1mjj s LEU 4 N -1.41 2.36 -0.29 2.60 1.43 -1.26 -1.73 118.68 120.37 1mjj s LEU 4 Ca -0.15 -0.81 -0.11 0.00 -1.03 0.00 0.00 54.13 52.02 1mjj s LEU 4 Cb -0.08 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 1mjj s LEU 4 CO 0.01 -0.07 0.20 -1.58 0.23 0.00 0.00 176.35 175.14 1mjj s GLN 5 N 1.29 3.87 0.04 1.70 0.74 0.34 -4.19 119.66 123.45 1mjj s GLN 5 Ca 0.01 -0.38 0.08 0.00 0.05 0.00 0.00 55.36 55.12 1mjj s GLN 5 Cb -0.15 -3.69 -0.03 0.00 1.10 0.00 0.00 33.01 30.25 1mjj s GLN 5 CO -0.10 -0.23 -0.23 -0.65 -0.55 0.00 0.00 175.29 173.53 1mjj s GLN 6 N 1.75 1.60 0.58 1.67 -0.21 -1.26 -1.47 119.66 122.33 1mjj s GLN 6 Ca 0.07 -0.99 -0.20 0.00 0.02 0.00 0.00 55.36 54.26 1mjj s GLN 6 Cb -0.16 -1.72 -0.04 0.00 1.00 0.00 0.00 33.01 32.09 1mjj s GLN 6 CO 0.11 0.45 1.25 -2.14 -2.12 0.00 0.00 175.29 172.83 1mjj s PRO 7 N -1.12 3.00 0.37 2.91 0.02 -1.26 -4.81 135.00 134.10 1mjj s PRO 7 Ca 0.09 1.94 0.12 0.00 0.02 0.00 0.00 61.00 63.17 1mjj s PRO 7 Cb -0.09 -2.01 0.71 0.00 0.02 0.00 0.00 34.50 33.12 1mjj s PRO 7 CO 0.02 -1.22 1.82 0.78 -0.33 0.00 0.00 177.00 178.07 1mjj h GLY 8 N 1.03 0.04 -3.19 0.52 0.00 -1.96 -3.34 103.07 96.16 1mjj h GLY 8 Ca -0.51 -0.03 -0.04 0.00 0.00 0.00 0.00 47.33 46.75 1mjj h GLY 8 CO 0.56 0.03 0.08 0.00 0.00 0.00 0.00 176.54 177.21 1mjj s ALA 9 N -4.23 -1.34 -0.05 3.60 0.00 -1.26 -1.73 121.76 116.75 1mjj s ALA 9 Ca -0.03 0.37 -0.02 0.00 0.00 0.00 0.00 51.96 52.28 1mjj s ALA 9 Cb 0.14 0.69 0.03 0.00 0.00 0.00 0.00 23.12 23.99 1mjj s ALA 9 CO 0.73 -0.66 0.08 -1.21 0.00 0.00 0.00 175.76 174.70 1mjj s GLU 10 N -3.41 -0.05 -0.22 0.00 0.41 -0.87 -4.81 118.70 109.75 1mjj s GLU 10 Ca -0.00 0.42 -0.16 0.00 -0.41 0.00 0.00 54.97 54.82 1mjj s GLU 10 Cb 0.00 -0.45 -0.04 0.00 -1.78 0.00 0.00 34.13 31.86 1mjj s GLU 10 CO -0.10 -0.32 0.43 -1.17 -0.49 0.00 0.00 175.26 173.61 1mjj s LEU 11 N 2.19 4.12 -0.03 1.80 2.96 -1.26 -1.62 118.68 126.84 1mjj s LEU 11 Ca 0.05 0.50 0.03 0.00 -0.22 0.00 0.00 54.13 54.49 1mjj s LEU 11 Cb -0.12 -2.54 -0.00 0.00 0.50 0.00 0.00 46.19 44.02 1mjj s LEU 11 CO -0.04 -0.13 -0.13 0.68 -1.32 0.00 0.00 176.35 175.41 1mjj s VAL 12 N 1.60 1.07 0.44 1.68 -7.23 -0.51 -4.99 120.40 112.47 1mjj s VAL 12 Ca 0.19 -0.53 -0.24 0.00 -1.81 0.00 0.00 61.98 59.59 1mjj s VAL 12 Cb -0.15 -0.93 -0.08 0.00 0.56 0.00 0.00 36.38 35.78 1mjj s VAL 12 CO 0.09 0.32 1.18 -0.54 -0.31 0.00 0.00 175.10 175.83 1mjj s LYS 13 N 0.03 3.86 0.20 4.82 -0.14 -1.25 -0.54 119.74 126.72 1mjj s LYS 13 Ca -0.02 1.83 -0.33 0.00 -1.36 0.00 0.00 55.97 56.10 1mjj s LYS 13 Cb -0.09 -2.52 -0.13 0.00 -1.68 0.00 0.00 37.83 33.41 1mjj s LYS 13 CO 0.01 -0.48 1.62 -2.30 -0.76 0.00 0.00 175.35 173.43 1mjj n PRO 14 N -0.26 2.42 0.00 -1.68 -0.02 -1.26 -1.66 135.00 132.53 1mjj n PRO 14 Ca 0.06 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 1mjj n PRO 14 Cb 0.47 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 1mjj n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mjj n GLY 15 N 3.37 3.13 3.89 -1.23 0.00 0.11 -4.93 105.19 109.54 1mjj n GLY 15 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1mjj n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mjj s ALA 16 N -2.10 2.88 0.47 4.61 0.00 -0.67 -4.01 121.76 122.93 1mjj s ALA 16 Ca 0.00 -0.48 0.08 0.00 0.00 0.00 0.00 51.96 51.56 1mjj s ALA 16 Cb 0.00 -2.95 0.03 0.00 0.00 0.00 0.00 23.12 20.20 1mjj s ALA 16 CO 0.00 -1.26 0.60 -1.54 0.00 0.00 0.00 175.76 173.56 1mjj s SER 17 N -4.42 5.39 -0.00 0.00 1.04 -1.26 -1.06 113.70 113.38 1mjj s SER 17 Ca 0.59 -0.62 -0.08 0.00 0.48 0.00 0.00 55.95 56.33 1mjj s SER 17 Cb -0.11 -0.33 0.00 0.00 0.10 0.00 0.00 66.02 65.68 1mjj s SER 17 CO 0.50 -0.93 0.15 0.54 0.98 0.00 0.00 173.24 174.48 1mjj s VAL 18 N -2.47 0.08 -0.26 5.02 0.11 -0.49 -4.93 120.40 117.46 1mjj s VAL 18 Ca 0.55 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 58.96 1mjj s VAL 18 Cb -0.08 -0.44 0.07 0.00 -1.53 0.00 0.00 36.38 34.41 1mjj s VAL 18 CO 0.34 -0.36 -0.00 -0.75 -3.33 0.00 0.00 175.10 171.00 1mjj s LYS 19 N -1.33 1.32 0.29 1.54 2.20 -1.26 -0.18 119.74 122.32 1mjj s LYS 19 Ca -0.14 -1.03 -0.24 0.00 -0.36 0.00 0.00 55.97 54.20 1mjj s LYS 19 Cb -0.07 -2.49 -0.09 0.00 -1.51 0.00 0.00 37.83 33.66 1mjj s LYS 19 CO 0.02 -0.71 0.87 -0.51 -0.36 0.00 0.00 175.35 174.66 1mjj s LEU 20 N 1.44 4.33 0.14 5.43 1.43 0.59 -4.87 118.68 127.17 1mjj s LEU 20 Ca -0.00 1.70 0.09 0.00 -1.03 0.00 0.00 54.13 54.88 1mjj s LEU 20 Cb -0.18 -3.89 -0.04 0.00 0.03 0.00 0.00 46.19 42.10 1mjj s LEU 20 CO -0.10 -0.04 -0.16 -0.94 0.23 0.00 0.00 176.35 175.33 1mjj s SER 21 N -1.65 3.95 -0.30 2.29 1.04 -1.26 -1.31 113.70 116.46 1mjj s SER 21 Ca 0.48 -0.59 -0.02 0.00 0.48 0.00 0.00 55.95 56.31 1mjj s SER 21 Cb -0.18 -0.57 0.12 0.00 0.10 0.00 0.00 66.02 65.49 1mjj s SER 21 CO 0.23 0.15 0.22 0.00 0.98 0.00 0.00 173.24 174.82 1mjj s LYS 23 N 2.10 4.08 0.13 0.00 2.20 -0.54 -0.68 119.74 127.03 1mjj s LYS 23 Ca 0.10 0.57 -0.04 0.00 -0.36 0.00 0.00 55.97 56.24 1mjj s LYS 23 Cb -0.16 -3.67 -0.05 0.00 -1.51 0.00 0.00 37.83 32.45 1mjj s LYS 23 CO -0.31 -0.47 0.35 0.00 -0.36 0.00 0.00 175.35 174.57 1mjj s ALA 24 N 2.60 3.82 0.16 3.13 0.00 -0.43 -0.51 121.76 130.52 1mjj s ALA 24 Ca 0.28 -0.59 -0.18 0.00 0.00 0.00 0.00 51.96 51.46 1mjj s ALA 24 Cb -0.15 -2.09 0.04 0.00 0.00 0.00 0.00 23.12 20.92 1mjj s ALA 24 CO 0.09 0.69 0.49 -1.54 0.00 0.00 0.00 175.76 175.49 1mjj s SER 25 N -2.43 -0.32 0.00 0.00 1.04 -0.71 -4.87 113.70 106.42 1mjj s SER 25 Ca 0.40 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.54 1mjj s SER 25 Cb -0.12 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1mjj s SER 25 CO 0.25 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 174.13 1mjj n GLY 26 N -0.30 0.75 3.81 7.32 0.00 -1.26 -1.93 105.19 113.58 1mjj n GLY 26 Ca -0.14 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.88 1mjj n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mjj s TYR 27 N -2.42 -0.00 -0.83 1.61 -0.85 -1.26 -4.50 117.35 109.10 1mjj s TYR 27 Ca 0.00 -0.21 -0.25 0.00 -0.52 0.00 0.00 57.07 56.09 1mjj s TYR 27 Cb 0.00 0.60 0.04 0.00 0.38 0.00 0.00 41.96 42.99 1mjj s TYR 27 CO 0.00 -0.52 1.30 0.99 -1.52 0.00 0.00 175.55 175.80 1mjj s THR 28 N -2.36 3.87 0.36 -3.49 2.01 -1.26 -4.91 115.64 109.86 1mjj s THR 28 Ca 0.20 -0.09 0.17 0.00 0.31 0.00 0.00 61.69 62.28 1mjj s THR 28 Cb 0.00 -4.94 0.36 0.00 0.01 0.00 0.00 72.50 67.94 1mjj s THR 28 CO 0.00 -1.84 1.58 0.15 -0.69 0.00 0.00 174.62 173.83 1mjj h PHE 29 N 9.87 0.67 0.00 4.92 3.57 -1.95 -1.09 116.94 132.93 1mjj h PHE 29 Ca -0.11 0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.40 1mjj h PHE 29 Cb 1.04 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 1mjj h PHE 29 CO 1.16 -0.45 -0.17 1.79 -2.23 0.00 0.00 178.31 178.42 1mjj h THR 30 N 0.02 0.50 -0.04 4.41 1.35 -1.90 -3.28 112.91 113.97 1mjj h THR 30 Ca 0.79 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1mjj h THR 30 Cb 2.01 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 70.01 1mjj h THR 30 CO -0.79 0.16 0.00 0.59 -0.25 0.00 0.00 175.52 175.24 1mjj n ASN 31 N -3.45 1.27 -4.00 5.36 3.02 -0.41 -2.08 115.26 114.97 1mjj n ASN 31 Ca -0.01 -1.47 -0.14 0.00 -0.03 0.00 0.00 54.58 52.93 1mjj n ASN 31 Cb 0.34 -0.02 -0.13 0.00 -0.61 0.00 0.00 39.78 39.36 1mjj n ASN 31 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1mjj s TYR 32 N -1.96 0.51 0.32 3.10 2.02 -1.24 -5.06 117.35 115.05 1mjj s TYR 32 Ca 0.38 -0.30 -0.29 0.00 -0.37 0.00 0.00 57.07 56.48 1mjj s TYR 32 Cb 0.20 -0.32 -0.10 0.00 -0.40 0.00 0.00 41.96 41.34 1mjj s TYR 32 CO 0.32 -0.06 1.37 -1.58 -1.57 0.00 0.00 175.55 174.03 1mjj s TRP 33 N -0.79 2.96 -0.21 2.71 0.52 -1.26 -4.26 118.94 118.60 1mjj s TRP 33 Ca -0.05 1.27 -0.06 0.00 0.02 0.00 0.00 56.10 57.29 1mjj s TRP 33 Cb -0.06 -3.78 -0.02 0.00 -1.15 0.00 0.00 33.47 28.46 1mjj s TRP 33 CO 0.00 -2.26 0.02 0.42 0.02 0.00 0.00 176.95 175.15 1mjj s ILE 34 N -0.85 4.02 0.21 2.03 -1.09 0.12 -3.05 121.20 122.60 1mjj s ILE 34 Ca 0.52 -0.28 0.07 0.00 -2.23 0.00 0.00 60.65 58.73 1mjj s ILE 34 Cb -0.41 -2.84 -0.04 0.00 -1.58 0.00 0.00 42.46 37.59 1mjj s ILE 34 CO 0.52 0.40 0.07 0.20 -1.23 0.00 0.00 174.94 174.91 1mjj s ASN 35 N 1.19 5.03 -0.04 3.58 0.01 0.41 -0.87 114.94 124.25 1mjj s ASN 35 Ca 0.03 -0.36 0.04 0.00 -0.71 0.00 0.00 52.86 51.86 1mjj s ASN 35 Cb -0.14 -1.15 -0.00 0.00 0.41 0.00 0.00 41.25 40.37 1mjj s ASN 35 CO 0.02 0.04 -0.15 0.26 -1.51 0.00 0.00 177.10 175.76 1mjj s TRP 36 N -1.94 1.49 -0.03 2.20 0.52 -0.16 -0.64 118.94 120.38 1mjj s TRP 36 Ca 0.30 -0.41 0.04 0.00 0.02 0.00 0.00 56.10 56.06 1mjj s TRP 36 Cb -0.09 -1.01 -0.01 0.00 -1.15 0.00 0.00 33.47 31.22 1mjj s TRP 36 CO 0.21 -0.14 -0.15 0.08 0.02 0.00 0.00 176.95 176.97 1mjj s VAL 37 N 0.06 1.23 -0.05 4.03 1.01 -0.07 -0.78 120.40 125.81 1mjj s VAL 37 Ca -0.03 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.31 1mjj s VAL 37 Cb -0.10 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 1mjj s VAL 37 CO 0.01 0.35 0.05 -0.75 0.00 0.00 0.00 175.10 174.77 1mjj s LYS 38 N -0.09 3.05 -0.20 2.72 2.20 0.23 -0.40 119.74 127.24 1mjj s LYS 38 Ca 0.00 -0.42 -0.04 0.00 -0.36 0.00 0.00 55.97 55.15 1mjj s LYS 38 Cb -0.09 -2.86 0.10 0.00 -1.51 0.00 0.00 37.83 33.48 1mjj s LYS 38 CO 0.01 0.69 0.30 -1.14 -0.36 0.00 0.00 175.35 174.84 1mjj s GLN 39 N -1.28 0.24 0.47 4.03 0.74 0.16 -1.34 119.66 122.69 1mjj s GLN 39 Ca 0.18 0.51 -0.19 0.00 0.05 0.00 0.00 55.36 55.91 1mjj s GLN 39 Cb -0.12 -0.56 -0.09 0.00 1.10 0.00 0.00 33.01 33.35 1mjj s GLN 39 CO 0.07 -0.52 0.99 1.03 -0.55 0.00 0.00 175.29 176.31 1mjj s ARG 40 N 2.44 4.00 0.11 1.67 0.52 -1.26 -0.21 118.95 126.22 1mjj s ARG 40 Ca 0.07 1.14 -0.35 0.00 -0.52 0.00 0.00 55.73 56.06 1mjj s ARG 40 Cb -0.14 -2.14 -0.16 0.00 0.52 0.00 0.00 34.95 33.02 1mjj s ARG 40 CO -0.12 -0.24 1.29 -2.30 0.02 0.00 0.00 175.30 173.95 1mjj n PRO 41 N -1.04 1.17 -0.25 3.54 -0.02 -1.26 -0.74 135.00 136.40 1mjj n PRO 41 Ca 0.08 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1mjj n PRO 41 Cb 0.54 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 1mjj n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mjj n GLY 42 N 2.38 0.96 0.00 -1.23 0.00 -1.26 -4.97 105.19 101.08 1mjj n GLY 42 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1mjj n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1mjj n GLN 43 N -2.00 1.50 -2.20 1.61 1.13 0.08 -5.14 117.38 112.36 1mjj n GLN 43 Ca 0.00 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 54.92 1mjj n GLN 43 Cb 0.00 0.00 0.06 0.00 0.11 0.00 0.00 30.24 30.41 1mjj n GLN 43 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1mjj n GLY 44 N 5.00 1.45 3.84 1.08 0.00 -1.26 -4.75 105.19 110.55 1mjj n GLY 44 Ca 0.00 -2.12 -0.34 0.00 0.00 0.00 0.00 46.02 43.56 1mjj n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mjj s LEU 45 N 0.00 4.19 -0.01 0.99 1.43 -1.26 -4.31 118.68 119.70 1mjj s LEU 45 Ca 0.43 1.23 0.01 0.00 -1.03 0.00 0.00 54.13 54.77 1mjj s LEU 45 Cb -0.03 -3.77 0.01 0.00 0.03 0.00 0.00 46.19 42.43 1mjj s LEU 45 CO 0.28 -0.08 -0.04 -1.61 0.23 0.00 0.00 176.35 175.14 1mjj s GLU 46 N -2.54 0.43 -0.13 1.70 2.02 -0.45 -4.98 118.70 114.74 1mjj s GLU 46 Ca 0.48 -0.10 -0.21 0.00 0.02 0.00 0.00 54.97 55.16 1mjj s GLU 46 Cb -0.13 -0.46 -0.03 0.00 0.10 0.00 0.00 34.13 33.61 1mjj s GLU 46 CO 0.19 0.02 0.60 -0.46 0.02 0.00 0.00 175.26 175.63 1mjj s TRP 47 N 0.28 3.48 -0.20 1.61 -0.00 -1.26 -0.60 118.94 122.25 1mjj s TRP 47 Ca -0.03 1.01 -0.15 0.00 -0.00 0.00 0.00 56.10 56.93 1mjj s TRP 47 Cb -0.06 -2.72 -0.20 0.00 -0.00 0.00 0.00 33.47 30.49 1mjj s TRP 47 CO -0.00 0.02 0.15 -0.89 -0.00 0.00 0.00 176.95 176.22 1mjj n ILE 48 N 4.08 1.60 -0.19 5.86 5.41 0.04 -4.63 119.36 131.53 1mjj n ILE 48 Ca -0.03 -0.27 0.00 0.00 1.00 0.00 0.00 62.75 63.45 1mjj n ILE 48 Cb 0.51 -1.91 0.00 0.00 -0.71 0.00 0.00 39.64 37.53 1mjj n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1mjj n GLY 49 N 1.60 -2.41 3.42 7.39 0.00 -1.21 -0.59 105.19 113.39 1mjj n GLY 49 Ca -0.36 -1.24 -0.11 0.00 0.00 0.00 0.00 46.02 44.31 1mjj n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mjj s ASN 50 N -0.21 0.14 -0.10 1.61 4.22 0.11 -0.98 114.94 119.74 1mjj s ASN 50 Ca 0.00 -1.18 -0.15 0.00 -2.14 0.00 0.00 52.86 49.39 1mjj s ASN 50 Cb 0.00 0.51 0.03 0.00 1.28 0.00 0.00 41.25 43.08 1mjj s ASN 50 CO 0.00 -1.04 0.38 -0.51 -2.04 0.00 0.00 177.10 173.89 1mjj s ILE 51 N -3.96 0.02 -0.43 0.54 2.07 -0.05 -1.87 121.20 117.52 1mjj s ILE 51 Ca 0.30 -0.17 -0.14 0.00 -1.41 0.00 0.00 60.65 59.23 1mjj s ILE 51 Cb 0.02 -0.60 0.04 0.00 0.13 0.00 0.00 42.46 42.06 1mjj s ILE 51 CO 0.12 -0.09 0.32 -0.47 -1.91 0.00 0.00 174.94 172.90 1mjj s TYR 52 N -0.40 3.25 0.37 3.50 5.04 -0.27 -0.70 117.35 128.14 1mjj s TYR 52 Ca -0.05 -0.80 0.14 0.00 -2.44 0.00 0.00 57.07 53.91 1mjj s TYR 52 Cb -0.03 -2.78 0.96 0.00 0.35 0.00 0.00 41.96 40.46 1mjj s TYR 52 CO 0.02 -0.68 1.81 -1.35 -1.34 0.00 0.00 175.55 174.01 1mjj h PRO 52 N 8.64 0.52 0.00 4.97 0.11 -1.74 1.29 132.00 145.78 1mjj h PRO 52 Ca -0.27 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.80 1mjj h PRO 52 Cb 1.11 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 1mjj h PRO 52 CO 0.77 0.34 -0.06 0.78 -0.21 0.00 0.00 178.00 179.63 1mjj h GLY 53 N 0.53 0.00 0.00 -0.55 0.00 -1.70 -3.33 103.07 98.03 1mjj h GLY 53 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.87 1mjj h GLY 53 CO -0.27 0.00 -0.07 -1.14 0.00 0.00 0.00 176.54 175.06 1mjj n SER 54 N -3.23 0.35 -0.97 0.19 3.41 -0.74 -5.02 113.62 107.60 1mjj n SER 54 Ca -0.01 -0.10 -0.12 0.00 -0.26 0.00 0.00 58.87 58.39 1mjj n SER 54 Cb 0.27 0.26 -0.05 0.00 -0.26 0.00 0.00 64.21 64.44 1mjj n SER 54 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1mjj n SER 55 N -0.30 -4.39 -4.77 4.04 7.64 0.43 -4.99 113.62 111.29 1mjj n SER 55 Ca 0.00 0.27 -0.40 0.00 1.01 0.00 0.00 58.87 59.75 1mjj n SER 55 Cb 0.00 -3.02 -0.02 0.00 -1.01 0.00 0.00 64.21 60.16 1mjj n SER 55 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1mjj s TYR 56 N -2.47 3.01 0.07 1.43 5.04 -1.23 -4.76 117.35 118.46 1mjj s TYR 56 Ca 0.00 1.45 0.02 0.00 -2.44 0.00 0.00 57.07 56.10 1mjj s TYR 56 Cb 0.00 -3.61 -0.03 0.00 0.35 0.00 0.00 41.96 38.67 1mjj s TYR 56 CO 0.00 -1.76 -0.07 0.95 -1.34 0.00 0.00 175.55 173.32 1mjj s THR 57 N -1.23 0.64 -0.03 4.34 -4.23 -1.26 -1.11 115.64 112.76 1mjj s THR 57 Ca 0.53 -1.55 0.02 0.00 -1.18 0.00 0.00 61.69 59.51 1mjj s THR 57 Cb -0.37 -1.20 0.01 0.00 1.34 0.00 0.00 72.50 72.28 1mjj s THR 57 CO 0.48 -0.64 -0.07 -1.00 -0.54 0.00 0.00 174.62 172.85 1mjj s HIS 58 N -2.58 0.82 0.09 3.99 3.76 -0.78 -4.99 115.29 115.60 1mjj s HIS 58 Ca 0.02 -0.20 0.09 0.00 -0.15 0.00 0.00 55.06 54.81 1mjj s HIS 58 Cb -0.02 -0.61 -0.03 0.00 1.11 0.00 0.00 32.58 33.03 1mjj s HIS 58 CO -0.02 -0.10 -0.23 0.71 -0.85 0.00 0.00 174.74 174.25 1mjj s TYR 59 N 0.30 1.95 0.04 1.40 1.51 -1.26 -0.71 117.35 120.57 1mjj s TYR 59 Ca -0.04 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.31 1mjj s TYR 59 Cb -0.09 -1.09 -0.05 0.00 -0.11 0.00 0.00 41.96 40.62 1mjj s TYR 59 CO 0.00 0.20 1.14 1.21 -1.11 0.00 0.00 175.55 177.00 1mjj s ASN 60 N -1.73 7.15 0.29 2.29 3.84 0.25 -4.90 114.94 122.14 1mjj s ASN 60 Ca 0.09 1.91 0.03 0.00 0.21 0.00 0.00 52.86 55.10 1mjj s ASN 60 Cb -0.10 -2.57 0.74 0.00 -0.55 0.00 0.00 41.25 38.77 1mjj s ASN 60 CO 0.04 -0.42 1.65 -0.08 -2.79 0.00 0.00 177.10 175.50 1mjj h GLU 61 N 6.84 0.23 -0.98 0.43 4.57 -1.94 0.15 114.58 123.88 1mjj h GLU 61 Ca -0.41 -0.01 0.25 0.00 -1.18 0.00 0.00 59.36 58.01 1mjj h GLU 61 Cb 1.21 -0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 29.68 1mjj h GLU 61 CO 0.80 0.15 0.66 -0.22 -1.18 0.00 0.00 179.01 179.22 1mjj h LYS 62 N 0.23 0.26 -0.35 1.92 3.64 -1.95 -1.87 116.57 118.46 1mjj h LYS 62 Ca 0.57 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.93 1mjj h LYS 62 Cb 1.16 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1mjj h LYS 62 CO -0.64 0.17 0.00 1.19 -2.27 0.00 0.00 179.45 177.90 1mjj n PHE 63 N -4.46 0.47 -0.10 1.91 3.72 0.49 -4.67 117.46 114.82 1mjj n PHE 63 Ca 0.22 -0.39 0.10 0.00 -0.05 0.00 0.00 57.45 57.33 1mjj n PHE 63 Cb 0.87 -0.02 0.46 0.00 -0.94 0.00 0.00 39.48 39.86 1mjj n PHE 63 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1mjj h LYS 64 N 2.67 0.48 -0.46 -1.08 1.57 -1.02 -0.57 116.57 118.15 1mjj h LYS 64 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1mjj h LYS 64 Cb 0.76 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1mjj h LYS 64 CO 0.00 0.32 0.00 0.09 -0.57 0.00 0.00 179.45 179.29 1mjj n ASN 65 N -4.48 2.97 -0.02 0.86 3.02 -1.26 -4.34 115.26 112.02 1mjj n ASN 65 Ca 0.09 -1.95 -0.03 0.00 -0.03 0.00 0.00 54.58 52.67 1mjj n ASN 65 Cb 0.32 -0.31 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 1mjj n ASN 65 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1mjj n LYS 66 N 1.14 1.49 -4.38 3.52 3.00 -0.34 -5.03 118.16 117.56 1mjj n LYS 66 Ca 0.19 0.01 -0.31 0.00 -0.00 0.00 0.00 58.31 58.21 1mjj n LYS 66 Cb 0.50 -1.09 -0.11 0.00 0.00 0.00 0.00 35.03 34.33 1mjj n LYS 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1mjj s ALA 67 N -2.09 2.89 -0.06 3.14 0.00 -0.49 -4.11 121.76 121.04 1mjj s ALA 67 Ca -0.04 -1.18 -0.01 0.00 0.00 0.00 0.00 51.96 50.72 1mjj s ALA 67 Cb 0.01 -0.91 0.03 0.00 0.00 0.00 0.00 23.12 22.25 1mjj s ALA 67 CO 0.12 0.62 0.02 0.99 0.00 0.00 0.00 175.76 177.51 1mjj s THR 68 N -1.10 0.21 -0.15 0.00 2.01 -0.45 -4.82 115.64 111.34 1mjj s THR 68 Ca 0.19 0.21 -0.07 0.00 0.31 0.00 0.00 61.69 62.33 1mjj s THR 68 Cb -0.11 -0.39 -0.04 0.00 0.01 0.00 0.00 72.50 71.97 1mjj s THR 68 CO 0.10 0.22 0.08 -0.76 -0.69 0.00 0.00 174.62 173.58 1mjj s LEU 69 N 1.91 3.99 0.26 4.42 1.43 -1.26 -0.95 118.68 128.47 1mjj s LEU 69 Ca 0.03 0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 53.33 1mjj s LEU 69 Cb -0.12 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 1mjj s LEU 69 CO -0.04 0.27 0.26 0.42 0.23 0.00 0.00 176.35 177.49 1mjj s THR 70 N -0.18 0.00 0.14 5.49 -4.23 -0.64 -5.02 115.64 111.19 1mjj s THR 70 Ca 0.08 -1.86 -0.08 0.00 -1.18 0.00 0.00 61.69 58.66 1mjj s THR 70 Cb -0.12 -2.48 -0.01 0.00 1.34 0.00 0.00 72.50 71.23 1mjj s THR 70 CO 0.01 0.00 0.22 0.68 -0.54 0.00 0.00 174.62 174.99 1mjj s VAL 71 N -3.83 0.09 -0.34 2.29 -7.23 -1.26 -0.59 120.40 109.53 1mjj s VAL 71 Ca 0.36 -1.41 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 1mjj s VAL 71 Cb 0.04 -1.73 0.11 0.00 0.56 0.00 0.00 36.38 35.36 1mjj s VAL 71 CO 0.16 -0.43 0.12 -0.62 -0.31 0.00 0.00 175.10 174.02 1mjj s ASP 72 N -2.95 4.02 0.48 4.85 -1.08 0.02 -4.97 116.67 117.04 1mjj s ASP 72 Ca 0.15 -1.91 0.15 0.00 -0.52 0.00 0.00 52.55 50.42 1mjj s ASP 72 Cb 0.04 -0.98 1.12 0.00 -1.46 0.00 0.00 42.92 41.65 1mjj s ASP 72 CO -0.03 -0.38 2.06 0.71 0.52 0.00 0.00 175.17 178.05 1mjj h THR 73 N 6.23 1.07 0.00 1.71 1.35 -1.89 -0.93 112.91 120.45 1mjj h THR 73 Ca -0.10 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1mjj h THR 73 Cb 1.00 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 1mjj h THR 73 CO 0.48 0.10 0.00 0.77 -0.25 0.00 0.00 175.52 176.62 1mjj h SER 74 N 0.00 0.00 0.00 5.36 4.64 -1.95 -2.76 113.55 118.83 1mjj h SER 74 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1mjj h SER 74 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1mjj h SER 74 CO 0.01 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.43 1mjj n SER 75 N -2.97 1.60 -3.94 4.97 3.41 -0.90 -5.00 113.62 110.79 1mjj n SER 75 Ca 0.00 -1.72 -0.28 0.00 -0.26 0.00 0.00 58.87 56.61 1mjj n SER 75 Cb 0.27 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.23 1mjj n SER 75 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1mjj n SER 76 N -0.36 -2.70 -4.28 4.04 7.64 -0.41 -4.77 113.62 112.78 1mjj n SER 76 Ca 0.00 -0.89 -0.30 0.00 1.01 0.00 0.00 58.87 58.70 1mjj n SER 76 Cb 0.24 -3.51 -0.16 0.00 -1.01 0.00 0.00 64.21 59.77 1mjj n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1mjj s THR 77 N -3.53 1.92 0.05 0.44 2.01 -0.88 -1.32 115.64 114.34 1mjj s THR 77 Ca 0.39 -1.04 0.03 0.00 0.31 0.00 0.00 61.69 61.38 1mjj s THR 77 Cb -0.20 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 1mjj s THR 77 CO 0.86 0.54 0.01 0.00 -0.69 0.00 0.00 174.62 175.34 1mjj s ALA 78 N -0.55 3.32 0.04 7.40 0.00 0.14 -0.80 121.76 131.31 1mjj s ALA 78 Ca 0.09 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 51.04 1mjj s ALA 78 Cb -0.10 -1.28 -0.02 0.00 0.00 0.00 0.00 23.12 21.72 1mjj s ALA 78 CO -0.01 0.69 -0.10 0.71 0.00 0.00 0.00 175.76 177.05 1mjj s TYR 79 N -1.23 0.84 -0.15 0.00 2.02 0.24 -0.39 117.35 118.68 1mjj s TYR 79 Ca 0.24 -0.42 -0.01 0.00 -0.37 0.00 0.00 57.07 56.51 1mjj s TYR 79 Cb -0.12 -0.50 0.04 0.00 -0.40 0.00 0.00 41.96 40.99 1mjj s TYR 79 CO 0.16 -0.03 -0.04 1.41 -1.57 0.00 0.00 175.55 175.47 1mjj s MET 80 N -1.39 1.28 -0.21 -0.62 -2.45 -0.43 -1.62 119.30 113.86 1mjj s MET 80 Ca -0.05 -0.37 -0.11 0.00 -1.25 0.00 0.00 55.69 53.91 1mjj s MET 80 Cb -0.09 -1.80 -0.05 0.00 1.25 0.00 0.00 34.83 34.15 1mjj s MET 80 CO 0.01 -0.40 0.16 -1.14 1.05 0.00 0.00 175.02 174.70 1mjj s GLN 81 N 1.71 4.16 0.32 4.11 0.74 -0.13 -0.30 119.66 130.27 1mjj s GLN 81 Ca 0.02 -0.20 0.03 0.00 0.05 0.00 0.00 55.36 55.26 1mjj s GLN 81 Cb -0.14 -3.46 0.03 0.00 1.10 0.00 0.00 33.01 30.53 1mjj s GLN 81 CO -0.08 0.21 0.22 1.28 -0.55 0.00 0.00 175.29 176.37 1mjj n LEU 82 N 3.79 0.00 0.00 3.68 4.77 0.75 -1.35 117.00 128.64 1mjj n LEU 82 Ca -0.15 -1.70 0.00 0.00 -0.03 0.00 0.00 56.01 54.12 1mjj n LEU 82 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1mjj n LEU 82 CO 0.37 -0.43 0.00 -1.20 -1.33 0.00 0.00 177.39 174.80 1mjj n SER 82 N -1.83 0.00 -4.76 -1.43 7.64 -1.24 -1.39 113.62 110.60 1mjj n SER 82 Ca -0.02 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.48 1mjj n SER 82 Cb 0.37 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.58 1mjj n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1mjj s LEU 82 N 0.00 3.96 0.36 -3.43 1.02 -0.23 -4.63 118.68 115.73 1mjj s LEU 82 Ca 0.00 2.47 0.04 0.00 0.02 0.00 0.00 54.13 56.65 1mjj s LEU 82 Cb 0.00 -4.25 -0.03 0.00 0.02 0.00 0.00 46.19 41.93 1mjj s LEU 82 CO 0.00 -1.14 0.14 0.42 0.02 0.00 0.00 176.35 175.79 1mjj s THR 83 N -1.46 0.54 0.58 5.49 -4.23 -1.26 0.05 115.64 115.35 1mjj s THR 83 Ca 0.66 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.45 1mjj s THR 83 Cb -0.33 -2.46 0.35 0.00 1.34 0.00 0.00 72.50 71.40 1mjj s THR 83 CO 0.39 0.00 2.17 0.77 -0.54 0.00 0.00 174.62 177.41 1mjj h SER 84 N 1.99 0.00 0.52 3.99 4.64 -1.97 0.53 113.55 123.25 1mjj h SER 84 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1mjj h SER 84 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1mjj h SER 84 CO 0.55 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.98 1mjj n ASP 85 N -3.92 0.44 0.01 4.97 8.00 -1.26 -2.15 116.55 122.64 1mjj n ASP 85 Ca -0.01 0.62 0.11 0.00 0.71 0.00 0.00 54.79 56.23 1mjj n ASP 85 Cb 0.21 -0.71 0.08 0.00 -0.02 0.00 0.00 41.12 40.68 1mjj n ASP 85 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1mjj n ASP 86 N -2.00 0.66 -4.69 -2.24 8.00 0.18 -4.86 116.55 111.60 1mjj n ASP 86 Ca 0.02 -0.41 -0.42 0.00 0.71 0.00 0.00 54.79 54.69 1mjj n ASP 86 Cb 0.17 0.62 -0.03 0.00 -0.02 0.00 0.00 41.12 41.86 1mjj n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1mjj s SER 87 N -3.35 6.50 0.00 -2.24 0.01 -0.92 -4.87 113.70 108.84 1mjj s SER 87 Ca 0.08 2.64 0.00 0.00 1.31 0.00 0.00 55.95 59.98 1mjj s SER 87 Cb 0.16 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1mjj s SER 87 CO 0.78 -0.96 0.00 0.00 0.41 0.00 0.00 173.24 173.46 1mjj n ALA 88 N 5.82 0.00 -2.71 1.44 0.00 -0.84 -4.75 120.51 119.47 1mjj n ALA 88 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.25 1mjj n ALA 88 Cb 0.39 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.78 1mjj n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1mjj s VAL 89 N -2.00 5.28 -0.18 0.00 1.01 0.71 -0.64 120.40 124.59 1mjj s VAL 89 Ca 0.00 0.58 -0.00 0.00 0.00 0.00 0.00 61.98 62.55 1mjj s VAL 89 Cb 0.00 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.75 1mjj s VAL 89 CO 0.00 0.43 -0.15 -0.31 0.00 0.00 0.00 175.10 175.07 1mjj s TYR 90 N 0.18 2.82 0.12 5.22 1.51 0.01 -0.67 117.35 126.54 1mjj s TYR 90 Ca 0.18 -1.28 0.04 0.00 -1.01 0.00 0.00 57.07 54.99 1mjj s TYR 90 Cb -0.13 -1.95 -0.04 0.00 -0.11 0.00 0.00 41.96 39.73 1mjj s TYR 90 CO 0.05 -0.64 0.14 0.71 -1.11 0.00 0.00 175.55 174.70 1mjj s TYR 91 N 1.17 3.23 0.07 2.71 2.02 0.46 -1.33 117.35 125.68 1mjj s TYR 91 Ca 0.02 0.05 0.07 0.00 -0.37 0.00 0.00 57.07 56.84 1mjj s TYR 91 Cb -0.14 -1.59 -0.04 0.00 -0.40 0.00 0.00 41.96 39.79 1mjj s TYR 91 CO -0.06 0.53 -0.14 0.00 -1.57 0.00 0.00 175.55 174.30 1mjj s ALA 93 N -1.08 -0.71 0.50 0.00 0.00 0.18 -1.22 121.76 119.44 1mjj s ALA 93 Ca 0.18 0.60 0.04 0.00 0.00 0.00 0.00 51.96 52.77 1mjj s ALA 93 Cb -0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 1mjj s ALA 93 CO 0.09 -0.18 0.15 0.54 0.00 0.00 0.00 175.76 176.36 1mjj s ASN 94 N -0.42 4.31 -0.12 0.00 6.03 -0.18 0.15 114.94 124.71 1mjj s ASN 94 Ca -0.05 -1.42 -0.03 0.00 -1.03 0.00 0.00 52.86 50.33 1mjj s ASN 94 Cb -0.04 0.25 0.05 0.00 -3.03 0.00 0.00 41.25 38.49 1mjj s ASN 94 CO 0.02 -0.84 0.06 -0.75 -2.03 0.00 0.00 177.10 173.56 1mjj s LYS 95 N -3.99 0.14 -0.44 3.55 2.20 -1.17 -1.94 119.74 118.08 1mjj s LYS 95 Ca 0.22 0.06 -0.09 0.00 -0.36 0.00 0.00 55.97 55.79 1mjj s LYS 95 Cb 0.02 -1.33 0.10 0.00 -1.51 0.00 0.00 37.83 35.10 1mjj s LYS 95 CO 0.13 -0.51 0.30 -0.51 -0.36 0.00 0.00 175.35 174.39 1mjj s LEU 96 N 2.10 5.41 0.00 5.43 2.01 0.10 -4.38 118.68 129.36 1mjj s LEU 96 Ca 0.03 -1.69 0.00 0.00 0.01 0.00 0.00 54.13 52.48 1mjj s LEU 96 Cb -0.14 -2.00 0.00 0.00 0.01 0.00 0.00 46.19 44.06 1mjj s LEU 96 CO -0.06 -0.61 0.00 0.61 1.01 0.00 0.00 176.35 177.29 1mjj n GLY 97 N 4.92 2.79 0.05 -3.19 0.00 -1.26 -1.19 105.19 107.31 1mjj n GLY 97 Ca -0.09 -0.24 0.13 0.00 0.00 0.00 0.00 46.02 45.82 1mjj n GLY 97 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1mjj n TRP 98 N 13.41 0.43 -3.37 1.61 7.02 -1.26 -4.89 117.44 130.40 1mjj n TRP 98 Ca 0.00 0.12 -0.39 0.00 -1.02 0.00 0.00 57.50 56.21 1mjj n TRP 98 Cb 0.00 -0.63 -0.09 0.00 -2.42 0.00 0.00 31.31 28.17 1mjj n TRP 98 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1mjj s PHE 99 N -3.07 3.24 0.07 -5.99 0.40 -0.33 -5.07 117.98 107.22 1mjj s PHE 99 Ca 0.10 0.39 -0.14 0.00 -0.60 0.00 0.00 56.93 56.69 1mjj s PHE 99 Cb 0.15 -2.62 -0.06 0.00 0.51 0.00 0.00 43.02 41.00 1mjj s PHE 99 CO 0.63 -0.27 0.46 -2.14 0.70 0.00 0.00 175.22 174.60 1mjj s PRO 101 N 2.11 3.91 -0.01 0.24 0.02 -1.26 0.02 135.00 140.04 1mjj s PRO 101 Ca 0.16 0.40 0.07 0.00 0.02 0.00 0.00 61.00 61.64 1mjj s PRO 101 Cb -0.16 -3.08 -0.02 0.00 0.02 0.00 0.00 34.50 31.26 1mjj s PRO 101 CO 0.10 0.59 -0.22 0.71 -0.33 0.00 0.00 177.00 177.85 1mjj s TYR 102 N -1.27 2.01 0.09 6.54 2.02 -0.82 -4.95 117.35 120.98 1mjj s TYR 102 Ca 0.31 -0.38 0.07 0.00 -0.37 0.00 0.00 57.07 56.70 1mjj s TYR 102 Cb -0.16 -1.28 -0.04 0.00 -0.40 0.00 0.00 41.96 40.08 1mjj s TYR 102 CO 0.17 -0.02 -0.13 -1.58 -1.57 0.00 0.00 175.55 172.41 1mjj s TRP 103 N -0.55 2.66 0.78 2.71 0.52 -1.26 -1.01 118.94 122.78 1mjj s TRP 103 Ca 0.09 -0.20 -0.10 0.00 0.02 0.00 0.00 56.10 55.91 1mjj s TRP 103 Cb -0.09 -1.42 0.09 0.00 -1.15 0.00 0.00 33.47 30.90 1mjj s TRP 103 CO -0.01 0.39 1.13 0.20 0.02 0.00 0.00 176.95 178.68 1mjj s GLY 104 N -2.05 1.66 0.00 0.98 0.00 -0.35 -4.61 107.32 102.95 1mjj s GLY 104 Ca 0.19 -0.87 0.25 0.00 0.00 0.00 0.00 44.72 44.29 1mjj s GLY 104 CO 0.11 -0.38 1.81 0.61 0.00 0.00 0.00 173.10 175.25 1mjj n GLN 105 N -3.20 0.07 0.00 2.90 -0.00 -1.26 -4.74 117.38 111.16 1mjj n GLN 105 Ca 0.09 0.07 0.00 0.00 -0.00 0.00 0.00 57.00 57.16 1mjj n GLN 105 Cb 0.61 -1.50 0.00 0.00 -0.00 0.00 0.00 30.24 29.35 1mjj n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1mjj n GLY 106 N 1.03 -1.55 3.53 2.61 0.00 -1.26 -5.00 105.19 104.54 1mjj n GLY 106 Ca 0.07 -1.32 -0.34 0.00 0.00 0.00 0.00 46.02 44.43 1mjj n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mjj s THR 107 N -2.26 4.24 -0.44 2.61 2.01 -0.44 -4.60 115.64 116.75 1mjj s THR 107 Ca 0.00 -0.22 -0.23 0.00 0.31 0.00 0.00 61.69 61.55 1mjj s THR 107 Cb 0.00 -2.90 0.02 0.00 0.01 0.00 0.00 72.50 69.63 1mjj s THR 107 CO 0.00 0.45 0.77 -0.22 -0.69 0.00 0.00 174.62 174.94 1mjj s LEU 108 N 0.64 4.26 -0.29 4.42 2.96 -0.71 -0.81 118.68 129.15 1mjj s LEU 108 Ca 0.00 -0.10 -0.17 0.00 -0.22 0.00 0.00 54.13 53.65 1mjj s LEU 108 Cb -0.14 -2.95 -0.03 0.00 0.50 0.00 0.00 46.19 43.58 1mjj s LEU 108 CO 0.02 -0.90 0.45 -0.69 -1.32 0.00 0.00 176.35 173.91 1mjj s VAL 109 N 3.25 5.11 -0.24 1.68 1.01 0.19 -2.04 120.40 129.36 1mjj s VAL 109 Ca 0.29 0.60 -0.05 0.00 0.00 0.00 0.00 61.98 62.82 1mjj s VAL 109 Cb -0.12 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 1mjj s VAL 109 CO 0.22 0.04 -0.01 -0.89 0.00 0.00 0.00 175.10 174.47 1mjj s THR 110 N 2.21 3.58 -0.43 3.92 2.01 -0.64 -1.98 115.64 124.30 1mjj s THR 110 Ca 0.18 -0.51 -0.21 0.00 0.31 0.00 0.00 61.69 61.46 1mjj s THR 110 Cb -0.16 -2.68 0.02 0.00 0.01 0.00 0.00 72.50 69.69 1mjj s THR 110 CO 0.10 0.34 0.67 -0.69 -0.69 0.00 0.00 174.62 174.35 1mjj s VAL 111 N 1.49 4.80 -0.02 3.82 1.01 -1.26 -1.42 120.40 128.82 1mjj s VAL 111 Ca 0.05 0.20 -0.27 0.00 0.00 0.00 0.00 61.98 61.96 1mjj s VAL 111 Cb -0.15 -4.22 0.06 0.00 0.00 0.00 0.00 36.38 32.07 1mjj s VAL 111 CO -0.01 -0.60 0.60 -0.55 0.00 0.00 0.00 175.10 174.53 1mjj s SER 112 N 2.01 -0.55 0.00 3.32 0.15 0.30 -4.80 113.70 114.12 1mjj s SER 112 Ca 0.24 0.52 0.26 0.00 0.70 0.00 0.00 55.95 57.66 1mjj s SER 112 Cb -0.14 0.50 0.62 0.00 -1.71 0.00 0.00 66.02 65.29 1mjj s SER 112 CO 0.19 -0.61 1.49 0.00 1.20 0.00 0.00 173.24 175.51 1mjj n ALA 113 N 0.84 3.37 -1.65 5.45 0.00 -1.26 -3.89 120.51 123.38 1mjj n ALA 113 Ca -0.19 -0.34 -0.32 0.00 0.00 0.00 0.00 53.44 52.59 1mjj n ALA 113 Cb 0.58 -1.15 0.02 0.00 0.00 0.00 0.00 19.45 18.89 1mjj n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mjj s ALA 114 N -2.91 2.73 0.36 0.00 0.00 -1.26 -5.04 121.76 115.65 1mjj s ALA 114 Ca 0.14 0.33 -0.16 0.00 0.00 0.00 0.00 51.96 52.26 1mjj s ALA 114 Cb 0.18 -3.22 -0.09 0.00 0.00 0.00 0.00 23.12 19.99 1mjj s ALA 114 CO 0.65 -0.88 0.80 -1.59 0.00 0.00 0.00 175.76 174.74 1mjj s LYS 115 N -4.27 4.04 0.26 0.00 -2.85 -1.26 -5.02 119.74 110.64 1mjj s LYS 115 Ca 0.62 0.77 -0.30 0.00 -1.00 0.00 0.00 55.97 56.07 1mjj s LYS 115 Cb -0.15 -2.36 -0.10 0.00 -2.06 0.00 0.00 37.83 33.16 1mjj s LYS 115 CO 0.40 0.08 1.32 -0.08 0.10 0.00 0.00 175.35 177.18 1mjj s THR 116 N -2.08 2.93 -0.07 3.79 -1.32 -1.26 -4.77 115.64 112.87 1mjj s THR 116 Ca 0.56 0.84 -0.00 0.00 -1.21 0.00 0.00 61.69 61.87 1mjj s THR 116 Cb -0.10 -3.53 0.02 0.00 -1.51 0.00 0.00 72.50 67.38 1mjj s THR 116 CO 0.18 0.16 -0.03 -0.89 -2.21 0.00 0.00 174.62 171.83 1mjj s THR 117 N -0.43 0.54 0.53 5.08 2.01 0.30 -4.95 115.64 118.72 1mjj s THR 117 Ca 0.54 -0.04 -0.20 0.00 0.31 0.00 0.00 61.69 62.29 1mjj s THR 117 Cb -0.38 -0.62 -0.06 0.00 0.01 0.00 0.00 72.50 71.44 1mjj s THR 117 CO 0.45 0.26 1.13 0.00 -0.69 0.00 0.00 174.62 175.77 1mjj s ALA 118 N 1.48 2.73 0.57 7.40 0.00 -1.26 -1.00 121.76 131.67 1mjj s ALA 118 Ca -0.02 0.84 -0.14 0.00 0.00 0.00 0.00 51.96 52.64 1mjj s ALA 118 Cb -0.13 -3.36 -0.06 0.00 0.00 0.00 0.00 23.12 19.57 1mjj s ALA 118 CO -0.03 -0.76 1.01 -1.25 0.00 0.00 0.00 175.76 174.73 1mjj s PRO 119 N -3.21 3.74 -0.24 0.00 0.04 -1.26 -4.53 135.00 129.54 1mjj s PRO 119 Ca 0.72 0.90 -0.08 0.00 0.04 0.00 0.00 61.00 62.57 1mjj s PRO 119 Cb -0.24 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 1mjj s PRO 119 CO 0.28 -0.45 0.10 -1.12 0.04 0.00 0.00 177.00 175.85 1mjj s SER 120 N -3.47 5.51 -0.23 6.66 0.01 -0.56 -4.93 113.70 116.69 1mjj s SER 120 Ca 0.58 -0.07 -0.08 0.00 1.31 0.00 0.00 55.95 57.69 1mjj s SER 120 Cb -0.11 -1.99 -0.04 0.00 0.21 0.00 0.00 66.02 64.10 1mjj s SER 120 CO 0.41 0.02 0.10 -0.69 0.41 0.00 0.00 173.24 173.49 1mjj s VAL 121 N 1.28 4.77 -0.09 3.43 1.01 -1.26 -1.30 120.40 128.24 1mjj s VAL 121 Ca 0.05 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.04 1mjj s VAL 121 Cb -0.14 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 1mjj s VAL 121 CO 0.05 0.37 -0.20 -0.31 0.00 0.00 0.00 175.10 175.00 1mjj s TYR 122 N 1.12 2.60 0.22 5.22 2.02 0.26 -4.95 117.35 123.84 1mjj s TYR 122 Ca 0.05 -0.72 -0.30 0.00 -0.37 0.00 0.00 57.07 55.73 1mjj s TYR 122 Cb -0.14 -1.69 -0.08 0.00 -0.40 0.00 0.00 41.96 39.64 1mjj s TYR 122 CO 0.04 -0.22 0.98 -1.25 -1.57 0.00 0.00 175.55 173.53 1mjj s PRO 123 N 0.03 4.78 -0.38 -1.71 0.04 -1.26 -0.49 135.00 136.00 1mjj s PRO 123 Ca -0.08 1.55 0.01 0.00 0.04 0.00 0.00 61.00 62.52 1mjj s PRO 123 Cb -0.15 -3.28 0.11 0.00 0.04 0.00 0.00 34.50 31.21 1mjj s PRO 123 CO 0.05 0.38 0.13 -0.51 0.04 0.00 0.00 177.00 177.10 1mjj s LEU 124 N -0.95 4.98 0.27 -3.56 1.43 0.35 -4.90 118.68 116.30 1mjj s LEU 124 Ca 0.43 -2.15 -0.01 0.00 -1.03 0.00 0.00 54.13 51.38 1mjj s LEU 124 Cb -0.27 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 1mjj s LEU 124 CO 0.33 -0.45 0.47 0.00 0.23 0.00 0.00 176.35 176.94 1mjj s ALA 125 N 0.95 3.75 0.75 4.21 0.00 -1.26 -1.05 121.76 129.10 1mjj s ALA 125 Ca 0.10 -0.82 -0.15 0.00 0.00 0.00 0.00 51.96 51.09 1mjj s ALA 125 Cb -0.21 -2.08 0.04 0.00 0.00 0.00 0.00 23.12 20.87 1mjj s ALA 125 CO -0.06 0.24 1.22 -2.30 0.00 0.00 0.00 175.76 174.86 1mjj n PRO 126 N -1.11 0.54 -1.64 0.00 -0.02 -1.26 -4.91 135.00 126.59 1mjj n PRO 126 Ca -0.04 0.25 -0.45 0.00 -2.02 0.00 0.00 63.50 61.24 1mjj n PRO 126 Cb 0.55 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 1mjj n PRO 126 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1mjj n VAL 127 N -2.76 1.24 -1.18 -1.45 0.31 -1.26 -4.51 118.33 108.72 1mjj n VAL 127 Ca 0.14 -0.31 -0.30 0.00 -0.01 0.00 0.00 64.34 63.86 1mjj n VAL 127 Cb 0.49 -1.27 -0.11 0.00 -0.91 0.00 0.00 33.84 32.05 1mjj n VAL 127 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1mjj n SER 136 N 14.11 -0.32 -4.64 0.00 3.41 -1.26 -5.10 113.62 119.81 1mjj n SER 136 Ca 0.44 0.03 -0.26 0.00 -0.26 0.00 0.00 58.87 58.82 1mjj n SER 136 Cb 0.44 -0.17 -0.09 0.00 -0.26 0.00 0.00 64.21 64.14 1mjj n SER 136 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1mjj s SER 137 N -2.87 4.11 -0.01 4.04 1.04 -1.26 -1.30 113.70 117.45 1mjj s SER 137 Ca 0.00 -1.14 0.03 0.00 0.48 0.00 0.00 55.95 55.32 1mjj s SER 137 Cb 0.00 -0.46 -0.01 0.00 0.10 0.00 0.00 66.02 65.65 1mjj s SER 137 CO 0.00 -0.37 -0.10 0.54 0.98 0.00 0.00 173.24 174.30 1mjj s VAL 138 N -2.60 0.76 -0.15 5.02 0.11 0.29 -4.65 120.40 119.18 1mjj s VAL 138 Ca 0.36 -0.40 -0.04 0.00 -2.93 0.00 0.00 61.98 58.97 1mjj s VAL 138 Cb 0.04 -0.64 -0.03 0.00 -1.53 0.00 0.00 36.38 34.22 1mjj s VAL 138 CO 0.19 0.22 -0.04 -0.89 -3.33 0.00 0.00 175.10 171.25 1mjj s THR 139 N -0.19 3.90 0.36 5.04 2.01 -1.26 -1.68 115.64 123.82 1mjj s THR 139 Ca 0.03 -0.36 0.09 0.00 0.31 0.00 0.00 61.69 61.76 1mjj s THR 139 Cb -0.04 -2.71 -0.06 0.00 0.01 0.00 0.00 72.50 69.70 1mjj s THR 139 CO -0.00 0.50 0.02 -0.76 -0.69 0.00 0.00 174.62 173.68 1mjj s LEU 140 N 0.31 2.94 0.30 4.42 1.43 0.24 -4.57 118.68 123.76 1mjj s LEU 140 Ca -0.04 -1.10 -0.05 0.00 -1.03 0.00 0.00 54.13 51.91 1mjj s LEU 140 Cb -0.14 -1.23 -0.00 0.00 0.03 0.00 0.00 46.19 44.84 1mjj s LEU 140 CO 0.03 -0.31 0.44 -0.83 0.23 0.00 0.00 176.35 175.91 1mjj s GLY 141 N -3.73 1.22 -0.10 -3.19 0.00 -0.22 -1.61 107.32 99.70 1mjj s GLY 141 Ca 0.35 -1.36 -0.04 0.00 0.00 0.00 0.00 44.72 43.67 1mjj s GLY 141 CO 0.19 -0.94 0.22 0.00 0.00 0.00 0.00 173.10 172.57 1mjj s LEU 143 N 1.64 3.29 -0.40 0.00 2.96 0.36 -1.57 118.68 124.94 1mjj s LEU 143 Ca -0.05 -0.20 0.01 0.00 -0.22 0.00 0.00 54.13 53.67 1mjj s LEU 143 Cb -0.11 -1.84 0.11 0.00 0.50 0.00 0.00 46.19 44.85 1mjj s LEU 143 CO -0.08 0.05 0.15 -0.69 -1.32 0.00 0.00 176.35 174.46 1mjj s VAL 144 N 1.10 2.75 0.13 1.68 1.01 0.08 0.91 120.40 128.06 1mjj s VAL 144 Ca 0.03 -2.41 0.07 0.00 0.00 0.00 0.00 61.98 59.66 1mjj s VAL 144 Cb -0.14 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1mjj s VAL 144 CO 0.02 -0.67 -0.04 -0.75 0.00 0.00 0.00 175.10 173.65 1mjj s LYS 145 N 0.77 2.31 -1.30 2.72 2.20 -0.42 -0.83 119.74 125.20 1mjj s LYS 145 Ca 0.11 -1.02 -0.04 0.00 -0.36 0.00 0.00 55.97 54.66 1mjj s LYS 145 Cb -0.21 -2.37 0.01 0.00 -1.51 0.00 0.00 37.83 33.75 1mjj s LYS 145 CO -0.06 0.49 1.00 0.41 -0.36 0.00 0.00 175.35 176.84 1mjj n GLY 146 N 0.37 -0.41 3.77 5.54 0.00 -0.47 -1.50 105.19 112.49 1mjj n GLY 146 Ca -0.11 0.16 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 1mjj n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mjj s TYR 147 N -3.40 2.16 -0.29 1.61 1.13 -0.91 -4.61 117.35 113.05 1mjj s TYR 147 Ca 0.23 -0.76 -0.22 0.00 -1.41 0.00 0.00 57.07 54.91 1mjj s TYR 147 Cb -0.10 -1.83 0.17 0.00 -1.10 0.00 0.00 41.96 39.10 1mjj s TYR 147 CO 0.75 0.07 1.25 0.12 -2.51 0.00 0.00 175.55 175.24 1mjj s PHE 148 N -2.73 -0.22 0.26 -3.49 2.19 -0.17 -0.10 117.98 113.72 1mjj s PHE 148 Ca 0.29 0.49 0.01 0.00 0.33 0.00 0.00 56.93 58.04 1mjj s PHE 148 Cb 0.02 0.34 0.05 0.00 -1.31 0.00 0.00 43.02 42.13 1mjj s PHE 148 CO 0.16 -0.11 0.36 -0.35 1.83 0.00 0.00 175.22 177.12 1mjj n PRO 149 N 2.33 0.44 -1.31 10.12 -0.04 -1.26 0.11 135.00 145.38 1mjj n PRO 149 Ca -0.13 -1.04 -0.31 0.00 -0.04 0.00 0.00 63.50 61.98 1mjj n PRO 149 Cb 0.57 -0.22 0.09 0.00 -0.04 0.00 0.00 33.50 33.89 1mjj n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1mjj s GLU 150 N -3.32 2.33 0.54 0.54 0.41 -1.26 -4.80 118.70 113.13 1mjj s GLU 150 Ca 0.24 1.17 0.04 0.00 -0.41 0.00 0.00 54.97 56.02 1mjj s GLU 150 Cb -0.01 -1.91 0.03 0.00 -1.78 0.00 0.00 34.13 30.46 1mjj s GLU 150 CO 0.16 -1.59 0.30 -1.25 -0.49 0.00 0.00 175.26 172.40 1mjj s PRO 151 N -4.86 2.24 0.09 0.39 0.04 -1.26 -4.88 135.00 126.77 1mjj s PRO 151 Ca 0.61 -2.11 0.06 0.00 0.04 0.00 0.00 61.00 59.60 1mjj s PRO 151 Cb -0.17 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 1mjj s PRO 151 CO 0.55 -0.55 -0.15 0.14 0.04 0.00 0.00 177.00 177.03 1mjj s VAL 152 N -2.80 1.24 -0.12 -0.36 -7.23 -1.26 -4.11 120.40 105.76 1mjj s VAL 152 Ca 0.27 -1.48 0.03 0.00 -1.81 0.00 0.00 61.98 58.99 1mjj s VAL 152 Cb -0.01 -1.28 0.00 0.00 0.56 0.00 0.00 36.38 35.65 1mjj s VAL 152 CO 0.17 -0.28 -0.23 -0.89 -0.31 0.00 0.00 175.10 173.55 1mjj s THR 153 N -1.59 2.07 -0.02 5.32 2.01 0.13 -4.94 115.64 118.62 1mjj s THR 153 Ca 0.03 -1.00 0.07 0.00 0.31 0.00 0.00 61.69 61.09 1mjj s THR 153 Cb -0.08 -1.80 -0.02 0.00 0.01 0.00 0.00 72.50 70.61 1mjj s THR 153 CO 0.03 0.56 -0.22 -0.22 -0.69 0.00 0.00 174.62 174.07 1mjj s LEU 154 N 0.55 2.03 0.25 4.42 0.20 -1.26 -0.51 118.68 124.37 1mjj s LEU 154 Ca -0.14 -0.40 0.02 0.00 0.69 0.00 0.00 54.13 54.29 1mjj s LEU 154 Cb -0.17 -1.14 -0.03 0.00 -0.43 0.00 0.00 46.19 44.41 1mjj s LEU 154 CO 0.04 0.26 0.21 0.42 -0.29 0.00 0.00 176.35 176.99 1mjj s THR 157 N -0.45 0.00 -0.04 3.68 -4.23 -0.42 -4.99 115.64 109.20 1mjj s THR 157 Ca 0.07 -1.96 0.04 0.00 -1.18 0.00 0.00 61.69 58.65 1mjj s THR 157 Cb -0.09 -2.50 -0.00 0.00 1.34 0.00 0.00 72.50 71.25 1mjj s THR 157 CO -0.00 0.00 -0.15 0.26 -0.54 0.00 0.00 174.62 174.18 1mjj s TRP 158 N -3.85 1.56 -1.57 3.99 0.52 -1.26 -1.07 118.94 117.25 1mjj s TRP 158 Ca 0.39 -0.45 -0.10 0.00 0.02 0.00 0.00 56.10 55.97 1mjj s TRP 158 Cb 0.05 -1.06 0.08 0.00 -1.15 0.00 0.00 33.47 31.39 1mjj s TRP 158 CO 0.18 -0.16 0.57 0.09 0.02 0.00 0.00 176.95 177.65 1mjj n ASN 162 N 3.20 -1.72 -2.05 2.95 5.03 0.79 -0.61 115.26 122.85 1mjj n ASN 162 Ca -0.18 -1.04 -0.20 0.00 0.87 0.00 0.00 54.58 54.03 1mjj n ASN 162 Cb 0.53 -2.76 -0.04 0.00 -1.02 0.00 0.00 39.78 36.49 1mjj n ASN 162 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1mjj n SER 163 N -2.81 -5.66 0.00 6.41 7.64 -1.26 -1.76 113.62 116.19 1mjj n SER 163 Ca -0.11 0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1mjj n SER 163 Cb 0.59 -4.76 0.00 0.00 -1.01 0.00 0.00 64.21 59.02 1mjj n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mjj n GLY 164 N -0.84 1.55 0.34 0.23 0.00 0.21 -4.94 105.19 101.75 1mjj n GLY 164 Ca -0.23 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.74 1mjj n GLY 164 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1mjj h SER 165 N 0.00 1.09 -3.45 1.61 0.02 -1.22 -3.38 113.55 108.21 1mjj h SER 165 Ca 0.00 -0.13 -0.71 0.00 -0.84 0.00 0.00 61.79 60.11 1mjj h SER 165 Cb 0.00 -0.28 -0.20 0.00 0.14 0.00 0.00 62.40 62.06 1mjj h SER 165 CO 0.00 0.91 -0.27 -0.22 -1.14 0.00 0.00 176.83 176.11 1mjj s LEU 166 N -9.84 5.09 0.00 5.07 0.20 -1.12 -4.85 118.68 113.23 1mjj s LEU 166 Ca -0.13 -0.89 0.00 0.00 0.69 0.00 0.00 54.13 53.81 1mjj s LEU 166 Cb 0.16 -2.29 0.00 0.00 -0.43 0.00 0.00 46.19 43.63 1mjj s LEU 166 CO 0.83 -0.59 0.00 -1.54 -0.29 0.00 0.00 176.35 174.76 1mjj n SER 167 N 5.46 1.93 -4.81 3.68 3.41 -1.26 -4.20 113.62 117.82 1mjj n SER 167 Ca -0.09 -0.09 -0.35 0.00 -0.26 0.00 0.00 58.87 58.08 1mjj n SER 167 Cb 0.46 0.57 -0.07 0.00 -0.26 0.00 0.00 64.21 64.91 1mjj n SER 167 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1mjj s SER 168 N -0.95 7.07 -1.15 4.04 0.01 -1.26 -3.63 113.70 117.82 1mjj s SER 168 Ca 0.00 1.64 0.00 0.00 1.31 0.00 0.00 55.95 58.90 1mjj s SER 168 Cb 0.00 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1mjj s SER 168 CO 0.00 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.07 1mjj n GLY 169 N -0.01 1.15 3.78 3.44 0.00 -1.26 -4.69 105.19 107.60 1mjj n GLY 169 Ca 0.04 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.18 1mjj n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mjj s VAL 171 N -2.42 4.92 -0.20 1.61 1.01 -1.24 -1.82 120.40 122.27 1mjj s VAL 171 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 1mjj s VAL 171 Cb 0.00 -3.11 0.05 0.00 0.00 0.00 0.00 36.38 33.32 1mjj s VAL 171 CO 0.00 0.61 -0.03 -1.00 0.00 0.00 0.00 175.10 174.68 1mjj s HIS 172 N -0.95 1.80 -0.27 5.22 3.76 -0.50 -4.99 115.29 119.36 1mjj s HIS 172 Ca 0.14 -1.28 -0.05 0.00 -0.15 0.00 0.00 55.06 53.71 1mjj s HIS 172 Cb -0.12 -1.35 0.01 0.00 1.11 0.00 0.00 32.58 32.24 1mjj s HIS 172 CO 0.03 -0.67 0.04 0.99 -0.85 0.00 0.00 174.74 174.28 1mjj s THR 173 N 1.60 3.71 0.10 1.30 2.01 -1.26 -0.84 115.64 122.26 1mjj s THR 173 Ca -0.02 -0.70 -0.28 0.00 0.31 0.00 0.00 61.69 61.00 1mjj s THR 173 Cb -0.17 -2.87 -0.06 0.00 0.01 0.00 0.00 72.50 69.41 1mjj s THR 173 CO -0.07 0.16 0.87 -0.36 -0.69 0.00 0.00 174.62 174.52 1mjj s PHE 174 N 1.47 3.81 0.38 4.92 0.08 -0.61 -5.02 117.98 123.00 1mjj s PHE 174 Ca 0.03 1.67 -0.27 0.00 0.12 0.00 0.00 56.93 58.48 1mjj s PHE 174 Cb -0.17 -2.93 -0.11 0.00 -0.57 0.00 0.00 43.02 39.24 1mjj s PHE 174 CO 0.01 0.28 1.24 -2.30 -0.10 0.00 0.00 175.22 174.35 1mjj n PRO 175 N 2.57 1.94 -1.87 0.24 -0.02 -1.26 -4.14 135.00 132.45 1mjj n PRO 175 Ca -0.01 0.68 -0.40 0.00 -2.02 0.00 0.00 63.50 61.76 1mjj n PRO 175 Cb 0.49 -2.29 0.01 0.00 -0.02 0.00 0.00 33.50 31.69 1mjj n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mjj s ALA 176 N -1.15 3.30 -0.07 3.55 0.00 -1.26 -4.81 121.76 121.31 1mjj s ALA 176 Ca 0.58 1.42 0.04 0.00 0.00 0.00 0.00 51.96 54.00 1mjj s ALA 176 Cb -0.55 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.00 1mjj s ALA 176 CO 0.60 -1.07 -0.19 0.08 0.00 0.00 0.00 175.76 175.18 1mjj s VAL 177 N -1.20 1.62 -0.09 0.00 1.01 -0.40 -4.94 120.40 116.40 1mjj s VAL 177 Ca 0.59 -0.78 -0.22 0.00 0.00 0.00 0.00 61.98 61.56 1mjj s VAL 177 Cb -0.43 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1mjj s VAL 177 CO 0.55 0.46 0.66 -0.22 0.00 0.00 0.00 175.10 176.56 1mjj s LEU 178 N 0.33 4.29 -0.24 3.92 2.96 -1.26 -2.05 118.68 126.63 1mjj s LEU 178 Ca -0.13 1.09 -0.11 0.00 -0.22 0.00 0.00 54.13 54.77 1mjj s LEU 178 Cb -0.15 -3.00 0.09 0.00 0.50 0.00 0.00 46.19 43.62 1mjj s LEU 178 CO 0.05 -0.12 0.55 -1.58 -1.32 0.00 0.00 176.35 173.94 1mjj s GLN 179 N 0.90 0.52 -1.33 1.98 0.74 -0.67 -4.90 119.66 116.90 1mjj s GLN 179 Ca 0.35 1.13 -0.06 0.00 0.05 0.00 0.00 55.36 56.83 1mjj s GLN 179 Cb -0.17 0.31 0.01 0.00 1.10 0.00 0.00 33.01 34.26 1mjj s GLN 179 CO 0.16 -0.19 0.86 0.43 -0.55 0.00 0.00 175.29 176.00 1mjj n SER 180 N 4.80 -5.92 0.00 6.67 7.64 -1.26 -2.69 113.62 122.86 1mjj n SER 180 Ca -0.16 -0.39 0.00 0.00 1.01 0.00 0.00 58.87 59.32 1mjj n SER 180 Cb 0.54 -4.63 0.00 0.00 -1.01 0.00 0.00 64.21 59.11 1mjj n SER 180 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1mjj n ASP 183 N -2.42 -4.59 -4.16 6.43 8.00 -1.26 -4.99 116.55 113.56 1mjj n ASP 183 Ca -0.04 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.29 1mjj n ASP 183 Cb 0.58 -2.21 -0.12 0.00 -0.02 0.00 0.00 41.12 39.35 1mjj n ASP 183 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1mjj s LEU 184 N 0.00 2.30 0.18 0.64 1.43 -1.09 -4.92 118.68 117.21 1mjj s LEU 184 Ca 0.00 -0.64 -0.06 0.00 -1.03 0.00 0.00 54.13 52.40 1mjj s LEU 184 Cb 0.00 -0.43 -0.06 0.00 0.03 0.00 0.00 46.19 45.73 1mjj s LEU 184 CO 0.00 -0.13 0.44 -0.31 0.23 0.00 0.00 176.35 176.58 1mjj s TYR 185 N -1.50 3.46 -0.00 0.29 2.02 0.85 -1.67 117.35 120.80 1mjj s TYR 185 Ca -0.02 0.65 0.02 0.00 -0.37 0.00 0.00 57.07 57.36 1mjj s TYR 185 Cb -0.09 -2.08 -0.01 0.00 -0.40 0.00 0.00 41.96 39.38 1mjj s TYR 185 CO 0.02 0.37 -0.07 0.99 -1.57 0.00 0.00 175.55 175.28 1mjj s THR 186 N -1.73 0.58 0.04 -0.71 2.01 -0.87 -1.36 115.64 113.59 1mjj s THR 186 Ca 0.43 -0.34 -0.06 0.00 0.31 0.00 0.00 61.69 62.03 1mjj s THR 186 Cb -0.12 -0.49 -0.01 0.00 0.01 0.00 0.00 72.50 71.89 1mjj s THR 186 CO 0.24 0.14 0.11 -0.22 -0.69 0.00 0.00 174.62 174.20 1mjj s LEU 187 N -0.23 1.75 0.20 4.42 0.20 -0.01 -1.27 118.68 123.74 1mjj s LEU 187 Ca 0.02 -0.50 -0.09 0.00 0.69 0.00 0.00 54.13 54.25 1mjj s LEU 187 Cb -0.03 0.64 -0.01 0.00 -0.43 0.00 0.00 46.19 46.36 1mjj s LEU 187 CO -0.00 -0.51 0.33 -0.94 -0.29 0.00 0.00 176.35 174.94 1mjj s SER 188 N -2.09 0.01 -0.04 3.68 1.04 -1.26 -0.74 113.70 114.30 1mjj s SER 188 Ca -0.05 -0.99 -0.18 0.00 0.48 0.00 0.00 55.95 55.21 1mjj s SER 188 Cb -0.01 0.49 0.04 0.00 0.10 0.00 0.00 66.02 66.63 1mjj s SER 188 CO -0.04 -0.98 0.40 -0.55 0.98 0.00 0.00 173.24 173.05 1mjj s SER 189 N -3.02 -0.33 0.20 7.02 0.15 -0.61 -1.58 113.70 115.53 1mjj s SER 189 Ca 0.23 0.34 0.07 0.00 0.70 0.00 0.00 55.95 57.29 1mjj s SER 189 Cb 0.02 0.45 -0.05 0.00 -1.71 0.00 0.00 66.02 64.74 1mjj s SER 189 CO 0.06 -0.43 -0.13 -0.94 1.20 0.00 0.00 173.24 173.00 1mjj s SER 190 N -1.05 2.43 -0.14 5.45 1.04 -0.02 -0.82 113.70 120.60 1mjj s SER 190 Ca -0.11 -1.04 -0.12 0.00 0.48 0.00 0.00 55.95 55.16 1mjj s SER 190 Cb -0.04 -0.11 0.04 0.00 0.10 0.00 0.00 66.02 66.01 1mjj s SER 190 CO 0.05 -0.22 0.36 0.54 0.98 0.00 0.00 173.24 174.94 1mjj s VAL 191 N -3.05 -0.00 -0.13 5.02 0.11 -0.63 -1.41 120.40 120.31 1mjj s VAL 191 Ca 0.22 0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.32 1mjj s VAL 191 Cb 0.00 -0.51 0.01 0.00 -1.53 0.00 0.00 36.38 34.35 1mjj s VAL 191 CO 0.06 0.01 -0.23 -0.89 -3.33 0.00 0.00 175.10 170.72 1mjj s THR 192 N 0.33 2.08 0.27 5.04 2.01 -0.75 -0.59 115.64 124.03 1mjj s THR 192 Ca -0.01 -0.99 0.02 0.00 0.31 0.00 0.00 61.69 61.02 1mjj s THR 192 Cb -0.03 -1.81 -0.06 0.00 0.01 0.00 0.00 72.50 70.61 1mjj s THR 192 CO -0.01 0.55 0.07 0.68 -0.69 0.00 0.00 174.62 175.22 1mjj s VAL 193 N 0.64 0.83 0.15 3.82 -7.23 -0.68 -4.68 120.40 113.26 1mjj s VAL 193 Ca -0.11 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 57.74 1mjj s VAL 193 Cb -0.16 -2.63 -0.09 0.00 0.56 0.00 0.00 36.38 34.06 1mjj s VAL 193 CO 0.02 -0.06 1.41 0.42 -0.31 0.00 0.00 175.10 176.58 1mjj s THR 194 N -3.56 3.09 0.50 5.32 -4.23 -1.26 -0.55 115.64 114.95 1mjj s THR 194 Ca 0.36 0.81 0.20 0.00 -1.18 0.00 0.00 61.69 61.88 1mjj s THR 194 Cb 0.08 -3.52 0.36 0.00 1.34 0.00 0.00 72.50 70.75 1mjj s THR 194 CO 0.13 0.08 2.01 0.77 -0.54 0.00 0.00 174.62 177.08 1mjj h SER 195 N 6.33 0.12 0.79 3.99 4.64 -1.46 0.63 113.55 128.58 1mjj h SER 195 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1mjj h SER 195 Cb 1.21 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1mjj h SER 195 CO 0.85 0.07 0.00 0.77 -0.87 0.00 0.00 176.83 177.65 1mjj h SER 196 N 0.13 0.00 1.08 4.97 4.64 -1.90 -2.90 113.55 119.56 1mjj h SER 196 Ca 0.22 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.38 1mjj h SER 196 Cb 0.71 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.78 1mjj h SER 196 CO -0.03 0.00 -0.79 0.74 -0.87 0.00 0.00 176.83 175.89 1mjj h THR 198 N 0.00 1.41 -4.33 2.95 2.02 -1.24 -3.43 112.91 110.30 1mjj h THR 198 Ca 0.00 -2.84 -0.58 0.00 0.77 0.00 0.00 66.41 63.76 1mjj h THR 198 Cb 0.39 2.60 -0.30 0.00 -1.74 0.00 0.00 68.15 69.11 1mjj h THR 198 CO 0.00 0.77 -0.85 0.86 0.37 0.00 0.00 175.52 176.67 1mjj s TRP 199 N -2.94 1.73 -2.08 3.16 -0.00 -1.10 -0.92 118.94 116.81 1mjj s TRP 199 Ca 0.01 -0.35 0.22 0.00 -0.00 0.00 0.00 56.10 55.98 1mjj s TRP 199 Cb 0.10 -1.12 1.17 0.00 -0.00 0.00 0.00 33.47 33.62 1mjj s TRP 199 CO 0.79 -0.04 1.77 -0.35 -0.00 0.00 0.00 176.95 179.11 1mjj n PRO 200 N 2.66 1.17 -0.35 5.86 -0.04 -1.26 -4.86 135.00 138.17 1mjj n PRO 200 Ca -0.15 -0.25 0.13 0.00 -0.04 0.00 0.00 63.50 63.19 1mjj n PRO 200 Cb 0.53 -1.35 0.32 0.00 -0.04 0.00 0.00 33.50 32.96 1mjj n PRO 200 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1mjj h SER 202 N 0.53 0.79 -3.33 3.54 4.64 -1.82 -3.35 113.55 114.54 1mjj h SER 202 Ca 0.00 0.10 -0.65 0.00 -0.47 0.00 0.00 61.79 60.76 1mjj h SER 202 Cb 0.11 -0.04 -0.26 0.00 -0.31 0.00 0.00 62.40 61.90 1mjj h SER 202 CO 0.00 0.28 -0.74 -1.10 -0.87 0.00 0.00 176.83 174.40 1mjj s GLN 203 N -5.85 3.43 0.60 4.77 -0.21 -0.10 -5.09 119.66 117.21 1mjj s GLN 203 Ca -0.11 -0.64 -0.18 0.00 0.02 0.00 0.00 55.36 54.44 1mjj s GLN 203 Cb 0.25 -2.79 -0.03 0.00 1.00 0.00 0.00 33.01 31.44 1mjj s GLN 203 CO 0.80 0.09 1.18 -1.54 -2.12 0.00 0.00 175.29 173.71 1mjj s SER 204 N 0.69 5.18 -0.06 5.90 1.04 -1.26 -4.52 113.70 120.68 1mjj s SER 204 Ca -0.05 2.30 0.00 0.00 0.48 0.00 0.00 55.95 58.69 1mjj s SER 204 Cb -0.15 -2.59 0.02 0.00 0.10 0.00 0.00 66.02 63.40 1mjj s SER 204 CO 0.02 -1.59 -0.03 -0.63 0.98 0.00 0.00 173.24 171.99 1mjj s ILE 205 N -1.74 0.51 -0.03 -1.02 1.01 -1.26 -4.99 121.20 113.67 1mjj s ILE 205 Ca 0.75 -0.05 0.03 0.00 0.00 0.00 0.00 60.65 61.38 1mjj s ILE 205 Cb -0.28 -0.58 0.00 0.00 0.01 0.00 0.00 42.46 41.61 1mjj s ILE 205 CO 0.34 0.25 -0.11 -0.89 0.00 0.00 0.00 174.94 174.53 1mjj s THR 206 N 1.34 0.95 -0.16 2.92 2.01 -1.26 -1.44 115.64 120.01 1mjj s THR 206 Ca -0.04 -0.44 -0.22 0.00 0.31 0.00 0.00 61.69 61.30 1mjj s THR 206 Cb -0.13 -0.84 -0.03 0.00 0.01 0.00 0.00 72.50 71.51 1mjj s THR 206 CO -0.02 0.29 0.68 0.00 -0.69 0.00 0.00 174.62 174.88 1mjj s ASN 209 N 1.06 4.10 -0.14 0.00 -0.87 -0.23 -1.14 114.94 117.72 1mjj s ASN 209 Ca 0.33 -0.42 0.02 0.00 -1.57 0.00 0.00 52.86 51.22 1mjj s ASN 209 Cb -0.16 -1.69 0.01 0.00 -0.02 0.00 0.00 41.25 39.39 1mjj s ASN 209 CO 0.13 0.01 -0.21 -0.69 -2.57 0.00 0.00 177.10 173.77 1mjj s VAL 210 N 1.31 1.95 -0.06 1.60 1.01 0.42 -1.30 120.40 125.32 1mjj s VAL 210 Ca 0.04 -0.91 0.05 0.00 0.00 0.00 0.00 61.98 61.16 1mjj s VAL 210 Cb -0.14 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 1mjj s VAL 210 CO -0.04 0.53 -0.22 0.00 0.00 0.00 0.00 175.10 175.37 1mjj s ALA 211 N 0.87 2.28 -0.38 5.51 0.00 0.33 -0.65 121.76 129.72 1mjj s ALA 211 Ca -0.06 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 50.89 1mjj s ALA 211 Cb -0.15 -0.77 0.11 0.00 0.00 0.00 0.00 23.12 22.31 1mjj s ALA 211 CO -0.02 0.42 0.14 -1.58 0.00 0.00 0.00 175.76 174.72 1mjj s HIS 212 N -0.19 2.62 0.19 0.00 2.46 -0.31 0.20 115.29 120.26 1mjj s HIS 212 Ca -0.02 -2.51 -0.21 0.00 0.47 0.00 0.00 55.06 52.79 1mjj s HIS 212 Cb -0.14 -2.29 0.13 0.00 -0.13 0.00 0.00 32.58 30.15 1mjj s HIS 212 CO 0.03 -0.85 1.58 -1.35 -2.47 0.00 0.00 174.74 171.68 1mjj h PRO 213 N 7.36 -0.14 -0.81 2.88 0.11 -1.81 -2.12 132.00 137.48 1mjj h PRO 213 Ca -0.07 0.01 0.23 0.00 0.11 0.00 0.00 66.00 66.28 1mjj h PRO 213 Cb 0.98 0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.08 1mjj h PRO 213 CO 0.52 -0.09 0.58 0.00 -0.21 0.00 0.00 178.00 178.80 1mjj h ALA 214 N 1.01 2.71 -0.38 -0.75 0.00 -1.87 -0.29 119.26 119.69 1mjj h ALA 214 Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1mjj h ALA 214 Cb 0.56 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1mjj h ALA 214 CO -0.74 -0.94 0.00 -1.13 0.00 0.00 0.00 179.25 176.44 1mjj n SER 215 N -4.32 3.02 -3.03 0.00 3.41 -0.85 -4.96 113.62 106.89 1mjj n SER 215 Ca 0.16 -1.94 -0.19 0.00 -0.26 0.00 0.00 58.87 56.64 1mjj n SER 215 Cb 0.85 -0.25 -0.00 0.00 -0.26 0.00 0.00 64.21 64.55 1mjj n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1mjj n SER 216 N 0.77 -3.91 -4.68 4.04 7.64 -0.12 -4.94 113.62 112.42 1mjj n SER 216 Ca 0.14 -0.18 -0.31 0.00 1.01 0.00 0.00 58.87 59.52 1mjj n SER 216 Cb 0.45 -3.25 -0.08 0.00 -1.01 0.00 0.00 64.21 60.31 1mjj n SER 216 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1mjj s THR 217 N -2.83 4.06 -0.21 0.44 -4.23 -1.09 -5.00 115.64 106.78 1mjj s THR 217 Ca 0.26 -0.83 -0.04 0.00 -1.18 0.00 0.00 61.69 59.91 1mjj s THR 217 Cb -0.13 -2.88 0.10 0.00 1.34 0.00 0.00 72.50 70.93 1mjj s THR 217 CO 0.32 0.23 0.28 -0.54 -0.54 0.00 0.00 174.62 174.37 1mjj s LYS 218 N -1.97 0.24 0.20 3.99 1.02 -1.26 -1.16 119.74 120.79 1mjj s LYS 218 Ca 0.23 0.40 0.11 0.00 0.02 0.00 0.00 55.97 56.73 1mjj s LYS 218 Cb -0.12 -0.80 -0.04 0.00 -0.52 0.00 0.00 37.83 36.35 1mjj s LYS 218 CO 0.15 -0.60 -0.21 0.54 -0.92 0.00 0.00 175.35 174.31 1mjj s VAL 219 N 2.41 2.50 -0.09 3.17 0.11 0.17 -4.96 120.40 123.72 1mjj s VAL 219 Ca 0.08 -1.99 0.02 0.00 -2.93 0.00 0.00 61.98 57.15 1mjj s VAL 219 Cb -0.15 -2.21 0.02 0.00 -1.53 0.00 0.00 36.38 32.50 1mjj s VAL 219 CO -0.13 -0.13 -0.13 -1.81 -3.33 0.00 0.00 175.10 169.57 1mjj s ASP 220 N -2.75 2.19 -0.20 3.54 1.01 -1.26 -0.44 116.67 118.76 1mjj s ASP 220 Ca 0.22 -0.37 0.01 0.00 0.71 0.00 0.00 52.55 53.12 1mjj s ASP 220 Cb -0.08 -0.97 0.04 0.00 1.01 0.00 0.00 42.92 42.92 1mjj s ASP 220 CO 0.11 0.01 -0.13 -0.54 0.21 0.00 0.00 175.17 174.83 1mjj s LYS 221 N 0.96 2.29 0.07 8.23 -0.14 -0.29 -4.97 119.74 125.89 1mjj s LYS 221 Ca -0.08 -0.92 -0.30 0.00 -1.36 0.00 0.00 55.97 53.31 1mjj s LYS 221 Cb -0.15 -2.52 -0.05 0.00 -1.68 0.00 0.00 37.83 33.43 1mjj s LYS 221 CO -0.00 -0.40 0.98 0.21 -0.76 0.00 0.00 175.35 175.38 1mjj s LYS 222 N 1.32 4.63 -0.30 1.68 2.20 -1.26 -1.48 119.74 126.54 1mjj s LYS 222 Ca -0.01 1.46 -0.29 0.00 -0.36 0.00 0.00 55.97 56.77 1mjj s LYS 222 Cb -0.16 -3.41 0.01 0.00 -1.51 0.00 0.00 37.83 32.77 1mjj s LYS 222 CO -0.09 0.08 1.08 0.42 -0.36 0.00 0.00 175.35 176.48 1mjj s ILE 223 N 0.44 4.54 -0.00 5.43 -1.09 -0.52 -4.92 121.20 125.08 1mjj s ILE 223 Ca 0.50 1.79 0.02 0.00 -2.23 0.00 0.00 60.65 60.73 1mjj s ILE 223 Cb -0.23 -4.38 -0.03 0.00 -1.58 0.00 0.00 42.46 36.24 1mjj s ILE 223 CO 0.29 -0.40 -0.03 -1.61 -1.23 0.00 0.00 174.94 171.96 1mjj s GLU 226 N 3.56 2.69 0.51 2.79 0.41 -1.26 -4.70 118.70 122.69 1mjj s GLU 226 Ca 0.45 -0.65 -0.23 0.00 -0.41 0.00 0.00 54.97 54.13 1mjj s GLU 226 Cb -0.13 -2.60 -0.06 0.00 -1.78 0.00 0.00 34.13 29.56 1mjj s GLU 226 CO 0.13 0.62 1.31 -2.14 -0.49 0.00 0.00 175.26 174.69 1mjj s PRO 227 N -1.48 3.40 0.00 0.39 0.02 -1.26 -4.68 135.00 131.38 1mjj s PRO 227 Ca 0.18 2.12 0.29 0.00 0.02 0.00 0.00 61.00 63.61 1mjj s PRO 227 Cb -0.11 -2.36 1.75 0.00 0.02 0.00 0.00 34.50 33.80 1mjj s PRO 227 CO 0.09 -0.95 2.09 0.54 -0.33 0.00 0.00 177.00 178.44