#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ias s THR 27 N 0.00 4.28 -0.13 1.12 2.01 -1.26 -0.87 115.64 120.79 3ias s THR 27 Ca 0.00 0.16 -0.16 0.00 0.31 0.00 0.00 61.69 62.00 3ias s THR 27 Cb 0.00 -4.63 -0.04 0.00 0.01 0.00 0.00 72.50 67.84 3ias s THR 27 CO 0.00 -1.30 0.40 -0.22 -0.69 0.00 0.00 174.62 172.81 3ias s LEU 28 N 4.23 4.27 -1.09 4.42 2.96 -0.98 -4.97 118.68 127.51 3ias s LEU 28 Ca 0.29 0.69 -0.07 0.00 -0.22 0.00 0.00 54.13 54.83 3ias s LEU 28 Cb -0.13 -2.56 0.28 0.00 0.50 0.00 0.00 46.19 44.28 3ias s LEU 28 CO 0.17 0.05 1.19 -3.20 -1.32 0.00 0.00 176.35 173.23 3ias n ASN 29 N 3.60 5.67 -4.61 3.68 5.15 -1.26 -2.24 115.26 125.25 3ias n ASN 29 Ca -0.09 -3.14 -0.41 0.00 -0.60 0.00 0.00 54.58 50.34 3ias n ASN 29 Cb 0.52 -1.33 -0.06 0.00 -0.53 0.00 0.00 39.78 38.37 3ias n ASN 29 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3ias s VAL 30 N -1.69 4.95 -0.25 3.44 1.01 -1.03 -4.96 120.40 121.86 3ias s VAL 30 Ca 0.31 0.97 -0.03 0.00 0.00 0.00 0.00 61.98 63.23 3ias s VAL 30 Cb -0.06 -3.98 0.14 0.00 0.00 0.00 0.00 36.38 32.49 3ias s VAL 30 CO -0.03 -0.08 0.45 -0.83 0.00 0.00 0.00 175.10 174.61 3ias s GLY 31 N 1.57 -0.56 0.00 4.51 0.00 -1.26 -0.71 107.32 110.87 3ias s GLY 31 Ca 0.26 1.27 0.00 0.00 0.00 0.00 0.00 44.72 46.25 3ias s GLY 31 CO 0.10 2.82 0.01 0.61 0.00 0.00 0.00 173.10 176.65 3ias n GLY 39 N 5.39 -0.09 2.46 0.20 0.00 -1.26 -4.80 105.19 107.09 3ias n GLY 39 Ca -0.04 0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 3ias n GLY 39 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3ias n VAL 40 N -0.07 2.26 -5.06 1.61 3.14 -1.26 -5.03 118.33 113.92 3ias n VAL 40 Ca 0.00 -4.70 -0.30 0.00 -2.96 0.00 0.00 64.34 56.38 3ias n VAL 40 Cb 0.00 -1.07 -0.17 0.00 -1.06 0.00 0.00 33.84 31.54 3ias n VAL 40 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 3ias s LEU 41 N -3.51 1.99 -0.16 6.55 2.96 -1.26 -4.65 118.68 120.60 3ias s LEU 41 Ca 0.46 -0.50 -0.07 0.00 -0.22 0.00 0.00 54.13 53.80 3ias s LEU 41 Cb 0.41 -1.28 -0.04 0.00 0.50 0.00 0.00 46.19 45.78 3ias s LEU 41 CO -0.15 0.13 0.07 -0.60 -1.32 0.00 0.00 176.35 174.48 3ias s ARG 42 N 0.43 3.74 -0.10 1.98 3.52 -1.12 -4.54 118.95 122.86 3ias s ARG 42 Ca -0.18 -0.30 0.03 0.00 -0.13 0.00 0.00 55.73 55.16 3ias s ARG 42 Cb -0.17 -3.16 0.01 0.00 -1.56 0.00 0.00 34.95 30.06 3ias s ARG 42 CO 0.08 0.44 -0.21 -0.51 -0.81 0.00 0.00 175.30 174.29 3ias s LEU 43 N -0.10 1.98 -0.87 -0.88 1.43 0.11 -0.11 118.68 120.24 3ias s LEU 43 Ca 0.07 -0.51 -0.16 0.00 -1.03 0.00 0.00 54.13 52.51 3ias s LEU 43 Cb -0.12 -1.28 0.19 0.00 0.03 0.00 0.00 46.19 45.01 3ias s LEU 43 CO 0.01 0.11 0.90 -0.04 0.23 0.00 0.00 176.35 177.57 3ias s MET 44 N 0.53 3.61 -0.93 1.70 -1.94 -0.30 -2.47 119.30 119.49 3ias s MET 44 Ca -0.15 -2.22 -0.20 0.00 -1.71 0.00 0.00 55.69 51.41 3ias s MET 44 Cb -0.17 -4.61 0.11 0.00 2.01 0.00 0.00 34.83 32.17 3ias s MET 44 CO 0.05 -1.47 1.18 0.08 -0.01 0.00 0.00 175.02 174.86 3ias s VAL 45 N 1.06 4.56 0.14 -6.03 1.01 -0.95 -1.81 120.40 118.38 3ias s VAL 45 Ca 0.24 -1.36 -0.31 0.00 0.00 0.00 0.00 61.98 60.54 3ias s VAL 45 Cb -0.08 -4.83 -0.11 0.00 0.00 0.00 0.00 36.38 31.37 3ias s VAL 45 CO -0.09 -1.58 1.84 -0.89 0.00 0.00 0.00 175.10 174.37 3ias s THR 46 N 3.17 2.44 -0.35 3.92 2.01 -1.03 -2.33 115.64 123.48 3ias s THR 46 Ca 0.35 0.00 -0.00 0.00 0.31 0.00 0.00 61.69 62.35 3ias s THR 46 Cb -0.05 -3.00 0.19 0.00 0.01 0.00 0.00 72.50 69.65 3ias s THR 46 CO -0.09 0.00 0.80 -0.22 -0.69 0.00 0.00 174.62 174.43 3ias s LEU 47 N 2.63 -1.04 -0.27 4.42 2.96 -0.04 -2.40 118.68 124.92 3ias s LEU 47 Ca 0.81 -0.33 -0.10 0.00 -0.22 0.00 0.00 54.13 54.29 3ias s LEU 47 Cb -0.47 1.42 -0.04 0.00 0.50 0.00 0.00 46.19 47.60 3ias s LEU 47 CO 0.36 -0.14 0.16 -0.55 -1.32 0.00 0.00 176.35 174.86 3ias s SER 48 N 2.19 5.81 0.00 3.68 0.15 -1.25 -3.72 113.70 120.56 3ias s SER 48 Ca 0.16 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.77 3ias s SER 48 Cb -0.03 -2.07 0.00 0.00 -1.71 0.00 0.00 66.02 62.21 3ias s SER 48 CO -0.15 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 174.87 3ias n GLY 49 N 4.95 -0.70 0.01 9.45 0.00 -1.26 -4.69 105.19 112.95 3ias n GLY 49 Ca -0.15 -2.15 0.01 0.00 0.00 0.00 0.00 46.02 43.74 3ias n GLY 49 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ias n GLU 50 N 0.00 2.68 0.00 1.61 4.07 -1.26 -4.99 120.64 122.75 3ias n GLU 50 Ca 0.00 -1.60 0.00 0.00 -0.06 0.00 0.00 57.16 55.50 3ias n GLU 50 Cb 0.00 -1.04 0.00 0.00 -0.06 0.00 0.00 31.44 30.34 3ias n GLU 50 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3ias n GLU 51 N -0.59 3.50 -3.30 5.31 1.02 -1.26 -4.16 120.64 121.16 3ias n GLU 51 Ca 0.02 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.10 3ias n GLU 51 Cb 0.31 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.67 3ias n GLU 51 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3ias s VAL 52 N 1.03 -0.71 0.00 2.62 1.01 -1.15 -4.54 120.40 118.66 3ias s VAL 52 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.92 3ias s VAL 52 Cb 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.51 3ias s VAL 52 CO 0.00 -0.10 0.00 0.18 0.00 0.00 0.00 175.10 175.18 3ias n LEU 53 N 5.38 0.00 -4.06 3.92 7.99 -1.01 -0.19 117.00 129.04 3ias n LEU 53 Ca -0.03 0.00 -0.22 0.00 -0.01 0.00 0.00 56.01 55.76 3ias n LEU 53 Cb 0.50 0.00 -0.15 0.00 -0.11 0.00 0.00 43.42 43.66 3ias n LEU 53 CO 0.05 0.00 -0.46 -1.83 -1.51 0.00 0.00 177.39 173.64 3ias s GLU 54 N -0.01 1.17 -0.38 3.23 -1.05 -1.25 -4.32 118.70 116.09 3ias s GLU 54 Ca 0.00 -0.43 -0.13 0.00 -0.15 0.00 0.00 54.97 54.26 3ias s GLU 54 Cb 0.00 -1.08 0.01 0.00 -0.44 0.00 0.00 34.13 32.62 3ias s GLU 54 CO 0.00 0.20 0.26 0.08 0.95 0.00 0.00 175.26 176.75 3ias s VAL 55 N -0.02 5.09 -0.50 1.83 1.01 -1.26 -2.45 120.40 124.10 3ias s VAL 55 Ca -0.00 -0.57 -0.12 0.00 0.00 0.00 0.00 61.98 61.29 3ias s VAL 55 Cb -0.08 -3.77 0.12 0.00 0.00 0.00 0.00 36.38 32.66 3ias s VAL 55 CO 0.00 -0.20 0.40 -0.69 0.00 0.00 0.00 175.10 174.62 3ias s VAL 56 N 1.66 4.59 0.48 2.92 1.01 -0.75 -4.37 120.40 125.94 3ias s VAL 56 Ca 0.05 -1.68 -0.21 0.00 0.00 0.00 0.00 61.98 60.14 3ias s VAL 56 Cb -0.18 -3.99 -0.09 0.00 0.00 0.00 0.00 36.38 32.12 3ias s VAL 56 CO 0.09 -0.81 1.04 -2.16 0.00 0.00 0.00 175.10 173.26 3ias s PRO 57 N 1.45 3.84 -0.25 2.72 0.04 -1.26 -1.15 135.00 140.39 3ias s PRO 57 Ca 0.05 1.38 -0.02 0.00 0.04 0.00 0.00 61.00 62.45 3ias s PRO 57 Cb -0.28 -2.14 0.08 0.00 0.04 0.00 0.00 34.50 32.20 3ias s PRO 57 CO 0.01 -0.40 0.06 -1.01 0.04 0.00 0.00 177.00 175.70 3ias s HIS 58 N -1.94 1.34 0.54 0.56 3.76 0.84 -4.93 115.29 115.46 3ias s HIS 58 Ca 0.66 -1.28 0.07 0.00 -0.15 0.00 0.00 55.06 54.37 3ias s HIS 58 Cb -0.17 -1.33 0.05 0.00 1.11 0.00 0.00 32.58 32.24 3ias s HIS 58 CO 0.21 -0.75 0.55 0.96 -0.85 0.00 0.00 174.74 174.86 3ias s ILE 59 N 1.75 1.94 0.00 0.60 -0.00 -1.26 -2.81 121.20 121.41 3ias s ILE 59 Ca 0.04 -1.29 0.00 0.00 -0.00 0.00 0.00 60.65 59.40 3ias s ILE 59 Cb -0.17 -2.23 0.00 0.00 -0.00 0.00 0.00 42.46 40.06 3ias s ILE 59 CO -0.17 0.00 0.00 0.61 -0.00 0.00 0.00 174.94 175.38 3ias n GLY 60 N -1.93 0.62 0.14 6.27 0.00 -1.26 -5.02 105.19 104.01 3ias n GLY 60 Ca 0.05 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.18 3ias n GLY 60 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3ias h TYR 61 N 0.00 0.00 -0.30 1.61 0.05 -1.89 -3.24 116.97 113.21 3ias h TYR 61 Ca 0.00 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.64 3ias h TYR 61 Cb 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 37.66 3ias h TYR 61 CO 0.00 0.06 -0.11 1.28 -1.05 0.00 0.00 178.16 178.34 3ias n LEU 62 N -2.81 3.90 -4.56 3.88 4.77 -1.26 -4.99 117.00 115.93 3ias n LEU 62 Ca 0.00 -3.68 -0.40 0.00 -0.03 0.00 0.00 56.01 51.91 3ias n LEU 62 Cb 0.57 -0.61 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 3ias n LEU 62 CO 0.39 1.19 1.57 -2.28 -1.33 0.00 0.00 177.39 176.93 3ias s HIS 63 N -3.19 1.73 -0.11 -1.77 2.46 -1.22 -3.81 115.29 109.38 3ias s HIS 63 Ca 0.43 0.75 0.22 0.00 0.47 0.00 0.00 55.06 56.93 3ias s HIS 63 Cb 0.39 -4.11 -0.21 0.00 -0.13 0.00 0.00 32.58 28.52 3ias s HIS 63 CO 0.00 -2.43 0.68 2.41 -2.47 0.00 0.00 174.74 172.93 3ias n THR 64 N 7.26 0.29 -0.29 0.89 -1.04 -1.26 -5.00 114.28 115.12 3ias n THR 64 Ca 0.21 -0.53 0.00 0.00 -2.04 0.00 0.00 64.05 61.69 3ias n THR 64 Cb 0.51 -0.15 0.00 0.00 -1.82 0.00 0.00 70.33 68.86 3ias n THR 64 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ias n GLY 65 N 1.25 0.83 0.38 3.41 0.00 -1.20 -5.00 105.19 104.86 3ias n GLY 65 Ca -0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 46.02 45.75 3ias n GLY 65 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3ias h PHE 66 N 0.00 -1.07 -0.82 1.61 -1.00 -1.91 0.31 116.94 114.06 3ias h PHE 66 Ca 0.00 0.10 0.24 0.00 2.81 0.00 0.00 57.97 61.12 3ias h PHE 66 Cb 0.00 0.60 -0.03 0.00 3.61 0.00 0.00 35.95 40.13 3ias h PHE 66 CO 0.00 -0.40 0.63 0.93 -1.61 0.00 0.00 178.31 177.86 3ias h GLU 67 N -0.02 0.00 0.08 1.51 5.08 -1.82 -0.39 114.58 119.02 3ias h GLU 67 Ca 0.33 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.43 3ias h GLU 67 Cb 0.59 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 3ias h GLU 67 CO -0.95 0.00 -1.41 -0.22 -1.00 0.00 0.00 179.01 175.43 3ias h LYS 68 N 0.00 0.16 0.00 2.33 1.63 -1.22 -3.38 116.57 116.09 3ias h LYS 68 Ca 0.39 -0.28 -0.17 0.00 -0.85 0.00 0.00 60.65 59.74 3ias h LYS 68 Cb 1.65 0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 33.36 3ias h LYS 68 CO -0.00 1.13 -0.82 1.79 -3.45 0.00 0.00 179.45 178.11 3ias h THR 69 N -0.47 1.58 -0.00 1.00 1.35 -1.14 -2.52 112.91 112.70 3ias h THR 69 Ca -0.33 -2.78 0.00 0.00 -0.55 0.00 0.00 66.41 62.76 3ias h THR 69 Cb 1.64 2.50 -0.00 0.00 -1.73 0.00 0.00 68.15 70.56 3ias h THR 69 CO -0.02 0.79 0.01 0.24 -0.25 0.00 0.00 175.52 176.30 3ias h MET 70 N 0.01 0.00 0.00 4.72 2.86 -1.30 0.39 114.93 121.61 3ias h MET 70 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3ias h MET 70 Cb 1.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.10 3ias h MET 70 CO 0.11 0.00 0.00 0.39 1.06 0.00 0.00 176.91 178.47 3ias n GLU 71 N -3.35 0.60 -2.62 1.72 1.02 -0.95 -2.98 120.64 114.08 3ias n GLU 71 Ca -0.03 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.99 3ias n GLU 71 Cb 0.09 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.05 3ias n GLU 71 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3ias n HIS 72 N -0.99 1.68 -3.68 -0.32 8.25 0.14 -4.77 115.22 115.53 3ias n HIS 72 Ca 0.14 -2.71 -0.10 0.00 -0.26 0.00 0.00 57.72 54.79 3ias n HIS 72 Cb 0.06 -0.30 -0.05 0.00 1.12 0.00 0.00 29.99 30.83 3ias n HIS 72 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3ias s ARG 73 N -3.34 1.02 0.79 -0.41 3.00 -1.16 -5.04 118.95 113.80 3ias s ARG 73 Ca 0.32 -0.75 -0.12 0.00 0.00 0.00 0.00 55.73 55.18 3ias s ARG 73 Cb 0.42 0.44 0.07 0.00 0.00 0.00 0.00 34.95 35.89 3ias s ARG 73 CO -0.02 -0.38 1.16 0.99 0.00 0.00 0.00 175.30 177.05 3ias s THR 74 N -3.78 2.51 0.47 0.02 2.01 -1.26 -4.30 115.64 111.32 3ias s THR 74 Ca 0.03 0.20 0.14 0.00 0.31 0.00 0.00 61.69 62.38 3ias s THR 74 Cb 0.02 -2.57 0.22 0.00 0.01 0.00 0.00 72.50 70.19 3ias s THR 74 CO -0.12 -0.18 2.06 1.88 -0.69 0.00 0.00 174.62 177.57 3ias h TYR 75 N -0.95 0.05 0.05 4.92 -1.99 -1.90 0.23 116.97 117.37 3ias h TYR 75 Ca -0.45 -0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.27 3ias h TYR 75 Cb 1.27 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.99 3ias h TYR 75 CO 0.51 0.12 -0.03 1.25 -0.00 0.00 0.00 178.16 180.02 3ias h LEU 76 N 0.05 -0.06 -1.71 3.88 5.85 -1.90 -3.26 115.31 118.16 3ias h LEU 76 Ca 0.01 -0.45 0.17 0.00 0.84 0.00 0.00 57.88 58.44 3ias h LEU 76 Cb 0.17 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 3ias h LEU 76 CO 0.01 0.44 0.50 1.56 -0.34 0.00 0.00 178.44 180.61 3ias h GLN 77 N -0.58 0.27 0.00 1.25 4.20 -1.75 -1.55 115.11 116.95 3ias h GLN 77 Ca -0.01 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 3ias h GLN 77 Cb 0.51 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.23 3ias h GLN 77 CO 0.01 0.18 -0.09 -0.91 -0.67 0.00 0.00 178.83 177.36 3ias h ASN 78 N 0.28 0.00 0.24 1.46 2.35 -1.01 -2.55 115.58 116.36 3ias h ASN 78 Ca 0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 3ias h ASN 78 Cb 1.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.38 3ias h ASN 78 CO -0.09 0.09 0.00 -0.38 -1.65 0.00 0.00 177.43 175.40 3ias n ILE 79 N -3.68 1.01 0.38 2.81 5.41 -0.58 -0.57 119.36 124.15 3ias n ILE 79 Ca -0.02 0.56 0.12 0.00 1.00 0.00 0.00 62.75 64.40 3ias n ILE 79 Cb 0.19 -1.53 0.08 0.00 -0.71 0.00 0.00 39.64 37.67 3ias n ILE 79 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 3ias h THR 80 N 0.00 0.00 0.00 1.39 1.35 -1.64 -3.35 112.91 110.66 3ias h THR 80 Ca 0.00 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 3ias h THR 80 Cb 0.12 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 3ias h THR 80 CO 0.00 0.00 -0.74 1.88 -0.25 0.00 0.00 175.52 176.41 3ias h TYR 81 N 0.00 0.00 -0.13 4.73 -1.99 -0.96 -3.40 116.97 115.22 3ias h TYR 81 Ca 0.00 0.00 -0.23 0.00 2.00 0.00 0.00 58.73 60.50 3ias h TYR 81 Cb 0.85 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.58 3ias h TYR 81 CO 0.00 0.00 -0.80 1.79 -0.00 0.00 0.00 178.16 179.15 3ias h THR 82 N 0.00 1.29 0.00 -2.88 1.35 -1.58 -3.20 112.91 107.89 3ias h THR 82 Ca 0.00 -2.02 0.00 0.00 -0.55 0.00 0.00 66.41 63.84 3ias h THR 82 Cb 0.99 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 69.45 3ias h THR 82 CO 0.00 0.64 0.00 -0.81 -0.25 0.00 0.00 175.52 175.10 3ias n PRO 83 N -3.92 0.25 -0.42 4.72 -0.04 -1.26 -3.34 135.00 130.99 3ias n PRO 83 Ca -0.07 0.06 0.04 0.00 -0.04 0.00 0.00 63.50 63.48 3ias n PRO 83 Cb 0.76 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.92 3ias n PRO 83 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3ias n ARG 84 N -1.35 2.85 -0.02 0.54 3.00 -1.21 -3.90 116.66 116.57 3ias n ARG 84 Ca 0.10 -1.57 -0.03 0.00 -0.01 0.00 0.00 57.85 56.34 3ias n ARG 84 Cb 0.22 -1.82 -0.01 0.00 0.00 0.00 0.00 32.46 30.86 3ias n ARG 84 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 3ias n MET 85 N 0.35 0.18 -3.13 5.56 2.81 -1.21 -4.74 117.12 116.94 3ias n MET 85 Ca 0.14 0.07 -0.44 0.00 -1.81 0.00 0.00 57.70 55.65 3ias n MET 85 Cb 0.68 -0.73 -0.00 0.00 -0.71 0.00 0.00 33.22 32.46 3ias n MET 85 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3ias s ASP 86 N -5.13 7.18 0.00 7.83 -1.08 -1.26 -2.32 116.67 121.89 3ias s ASP 86 Ca -0.10 -3.27 0.05 0.00 -0.52 0.00 0.00 52.55 48.72 3ias s ASP 86 Cb 0.01 -2.31 0.26 0.00 -1.46 0.00 0.00 42.92 39.42 3ias s ASP 86 CO 0.14 -0.53 0.93 0.00 0.52 0.00 0.00 175.17 176.23 3ias n TYR 87 N 4.26 0.00 -0.08 -5.34 0.18 -1.25 -1.13 117.16 113.80 3ias n TYR 87 Ca 0.30 0.00 -0.08 0.00 1.88 0.00 0.00 57.90 60.01 3ias n TYR 87 Cb 0.41 -0.21 -0.03 0.00 -0.38 0.00 0.00 39.34 39.14 3ias n TYR 87 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 3ias n LEU 88 N -1.21 1.86 -3.08 -3.48 4.77 -1.26 -4.50 117.00 110.11 3ias n LEU 88 Ca 0.03 0.51 -0.37 0.00 -0.03 0.00 0.00 56.01 56.15 3ias n LEU 88 Cb 0.03 -0.83 0.02 0.00 -2.33 0.00 0.00 43.42 40.31 3ias n LEU 88 CO 0.03 -0.33 1.18 1.57 -1.33 0.00 0.00 177.39 178.51 3ias n HIS 89 N -4.54 3.09 -0.31 -1.77 -0.00 -1.17 -4.14 115.22 106.37 3ias n HIS 89 Ca -0.12 -2.68 -0.04 0.00 0.46 0.00 0.00 57.72 55.34 3ias n HIS 89 Cb 0.39 -0.96 0.08 0.00 -0.12 0.00 0.00 29.99 29.38 3ias n HIS 89 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 3ias h SER 90 N 3.31 1.00 -0.69 0.26 4.64 -1.35 -2.69 113.55 118.02 3ias h SER 90 Ca 0.48 -0.05 0.20 0.00 -0.47 0.00 0.00 61.79 61.95 3ias h SER 90 Cb 0.29 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.10 3ias h SER 90 CO 1.21 0.76 0.54 0.15 -0.87 0.00 0.00 176.83 178.61 3ias h PHE 91 N 1.16 0.00 -0.26 4.77 3.57 -1.87 0.65 116.94 124.95 3ias h PHE 91 Ca 0.31 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.72 3ias h PHE 91 Cb -0.07 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 3ias h PHE 91 CO -0.01 0.00 -0.21 0.00 -2.23 0.00 0.00 178.31 175.86 3ias h ALA 92 N 1.58 1.15 -0.13 2.41 0.00 -1.78 -0.66 119.26 121.83 3ias h ALA 92 Ca 0.33 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3ias h ALA 92 Cb 1.40 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 3ias h ALA 92 CO -0.00 0.54 0.01 0.45 0.00 0.00 0.00 179.25 180.24 3ias h HIS 93 N 0.43 0.24 -0.01 0.00 3.86 0.15 -1.67 115.15 118.15 3ias h HIS 93 Ca 0.07 -0.04 0.03 0.00 -1.16 0.00 0.00 60.37 59.27 3ias h HIS 93 Cb 0.61 -0.06 -0.06 0.00 1.06 0.00 0.00 27.41 28.96 3ias h HIS 93 CO 0.02 0.44 -0.41 -0.44 0.86 0.00 0.00 177.93 178.40 3ias h ASP 94 N -0.03 -1.25 -0.36 2.45 5.19 -1.11 -1.90 116.42 119.41 3ias h ASP 94 Ca 0.04 0.15 -0.00 0.00 -0.62 0.00 0.00 57.03 56.60 3ias h ASP 94 Cb 0.34 0.49 -0.02 0.00 0.18 0.00 0.00 39.33 40.33 3ias h ASP 94 CO 0.01 -0.45 0.22 0.25 -3.12 0.00 0.00 179.24 176.14 3ias h LEU 95 N -0.56 0.44 -0.66 1.55 5.85 -1.17 0.23 115.31 121.00 3ias h LEU 95 Ca 0.05 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.63 3ias h LEU 95 Cb 0.64 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 3ias h LEU 95 CO -0.32 0.35 -0.24 0.00 -0.34 0.00 0.00 178.44 177.89 3ias h ALA 96 N 1.73 0.85 0.22 1.25 0.00 -0.70 -0.01 119.26 122.59 3ias h ALA 96 Ca 0.14 -0.38 -0.33 0.00 0.00 0.00 0.00 54.91 54.33 3ias h ALA 96 Cb -0.00 -0.15 0.03 0.00 0.00 0.00 0.00 17.79 17.66 3ias h ALA 96 CO -0.02 0.64 -1.51 -0.92 0.00 0.00 0.00 179.25 177.43 3ias h TYR 97 N 0.69 0.84 0.04 0.00 3.20 -1.10 -3.19 116.97 117.46 3ias h TYR 97 Ca 0.09 -0.61 0.00 0.00 3.14 0.00 0.00 58.73 61.35 3ias h TYR 97 Cb 0.76 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 3ias h TYR 97 CO 0.04 1.54 -0.05 0.00 -1.64 0.00 0.00 178.16 178.05 3ias h ALA 98 N 0.22 -0.09 -0.76 1.82 0.00 -0.81 -1.96 119.26 117.68 3ias h ALA 98 Ca -0.26 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 54.75 3ias h ALA 98 Cb 2.13 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.93 3ias h ALA 98 CO 0.24 -0.56 0.50 -0.07 0.00 0.00 0.00 179.25 179.36 3ias h LEU 99 N -0.11 0.57 -0.42 0.00 -0.00 -1.12 0.86 115.31 115.09 3ias h LEU 99 Ca 0.00 0.02 -0.17 0.00 -0.00 0.00 0.00 57.88 57.73 3ias h LEU 99 Cb 0.11 -0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 40.66 3ias h LEU 99 CO -0.02 0.33 -0.53 0.00 -0.00 0.00 0.00 178.44 178.23 3ias h ALA 100 N 1.62 0.60 0.06 1.53 0.00 -1.38 -2.62 119.26 119.07 3ias h ALA 100 Ca 0.36 -0.50 -0.20 0.00 0.00 0.00 0.00 54.91 54.56 3ias h ALA 100 Cb 0.54 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.27 3ias h ALA 100 CO -0.13 0.68 -0.82 0.28 0.00 0.00 0.00 179.25 179.27 3ias h VAL 101 N 0.56 1.41 -0.35 0.00 2.07 -0.97 -2.87 116.25 116.09 3ias h VAL 101 Ca 0.02 -2.28 0.08 0.00 0.82 0.00 0.00 66.70 65.34 3ias h VAL 101 Cb 1.10 2.75 -0.08 0.00 -1.52 0.00 0.00 31.29 33.54 3ias h VAL 101 CO 0.11 0.67 -0.22 -0.33 0.02 0.00 0.00 177.57 177.82 3ias h GLU 102 N -0.06 -0.16 -0.20 1.57 5.08 -0.85 -1.17 114.58 118.79 3ias h GLU 102 Ca -0.12 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 3ias h GLU 102 Cb 1.54 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.82 3ias h GLU 102 CO 0.16 -0.11 0.08 0.87 -1.00 0.00 0.00 179.01 179.01 3ias h LYS 103 N -0.16 0.30 -0.19 2.33 1.79 -1.58 0.63 116.57 119.67 3ias h LYS 103 Ca 0.18 -0.05 0.06 0.00 -2.18 0.00 0.00 60.65 58.65 3ias h LYS 103 Cb 0.44 -0.05 -0.07 0.00 -1.58 0.00 0.00 32.23 30.97 3ias h LYS 103 CO -0.45 0.36 -0.28 1.25 -1.08 0.00 0.00 179.45 179.25 3ias h LEU 104 N 0.17 -0.89 -1.80 2.94 6.46 -1.15 0.05 115.31 121.10 3ias h LEU 104 Ca 0.07 0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 3ias h LEU 104 Cb 0.17 0.40 0.00 0.00 -0.73 0.00 0.00 40.66 40.50 3ias h LEU 104 CO -0.01 -0.32 0.00 0.00 -0.62 0.00 0.00 178.44 177.50 3ias n LEU 105 N -5.39 2.66 -2.90 2.25 -0.00 -0.51 -4.58 117.00 108.53 3ias n LEU 105 Ca -0.02 -1.21 -0.10 0.00 -0.00 0.00 0.00 56.01 54.68 3ias n LEU 105 Cb 0.31 -0.24 0.01 0.00 -0.00 0.00 0.00 43.42 43.50 3ias n LEU 105 CO 0.15 0.61 0.01 0.61 -0.00 0.00 0.00 177.39 178.76 3ias n GLY 106 N 1.33 -1.27 3.43 1.47 0.00 0.20 -4.99 105.19 105.35 3ias n GLY 106 Ca 0.18 1.24 -0.22 0.00 0.00 0.00 0.00 46.02 47.22 3ias n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias s ALA 107 N -2.49 2.48 -0.20 4.61 0.00 -0.03 -5.00 121.76 121.13 3ias s ALA 107 Ca 0.25 -1.83 0.00 0.00 0.00 0.00 0.00 51.96 50.39 3ias s ALA 107 Cb -0.07 -0.13 0.02 0.00 0.00 0.00 0.00 23.12 22.94 3ias s ALA 107 CO 0.78 0.15 -0.15 0.14 0.00 0.00 0.00 175.76 176.68 3ias s VAL 108 N -2.73 2.36 -0.02 0.00 -7.23 -1.26 -4.75 120.40 106.78 3ias s VAL 108 Ca 0.28 -0.93 -0.30 0.00 -1.81 0.00 0.00 61.98 59.21 3ias s VAL 108 Cb -0.02 -2.06 -0.03 0.00 0.56 0.00 0.00 36.38 34.83 3ias s VAL 108 CO 0.12 0.44 1.09 -0.69 -0.31 0.00 0.00 175.10 175.76 3ias s VAL 109 N 1.31 4.49 1.26 1.32 1.01 -1.26 -4.10 120.40 124.43 3ias s VAL 109 Ca 0.04 1.79 -0.15 0.00 0.00 0.00 0.00 61.98 63.65 3ias s VAL 109 Cb -0.14 -4.15 0.32 0.00 0.00 0.00 0.00 36.38 32.41 3ias s VAL 109 CO -0.10 0.08 0.99 -2.84 0.00 0.00 0.00 175.10 173.23 3ias s PRO 110 N 1.49 -1.64 0.09 2.72 0.02 -1.26 -4.70 135.00 131.72 3ias s PRO 110 Ca 0.54 0.68 -0.34 0.00 0.02 0.00 0.00 61.00 61.90 3ias s PRO 110 Cb -0.24 -1.48 -0.16 0.00 0.02 0.00 0.00 34.50 32.64 3ias s PRO 110 CO 0.25 -4.16 1.59 -1.00 -0.33 0.00 0.00 177.00 173.34 3ias h PRO 111 N -2.93 -0.90 0.00 5.54 0.13 -1.95 -2.60 132.00 129.29 3ias h PRO 111 Ca -0.59 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 3ias h PRO 111 Cb 1.34 0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.68 3ias h PRO 111 CO 0.46 -0.60 0.00 -0.09 -0.23 0.00 0.00 178.00 177.53 3ias h ARG 112 N -0.94 0.00 0.12 0.86 2.43 -1.82 -2.44 114.38 112.59 3ias h ARG 112 Ca -0.06 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3ias h ARG 112 Cb 0.81 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 3ias h ARG 112 CO -0.03 0.00 -0.06 0.00 -1.51 0.00 0.00 179.97 178.37 3ias h ALA 113 N 2.02 -0.16 -0.96 2.80 0.00 -1.69 -2.02 119.26 119.24 3ias h ALA 113 Ca 0.00 -0.24 0.11 0.00 0.00 0.00 0.00 54.91 54.78 3ias h ALA 113 Cb 0.22 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.00 3ias h ALA 113 CO 0.00 -0.23 0.60 1.49 0.00 0.00 0.00 179.25 181.11 3ias h GLU 114 N -0.89 0.94 0.25 0.00 4.81 -1.22 0.25 114.58 118.73 3ias h GLU 114 Ca -0.02 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3ias h GLU 114 Cb 0.54 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3ias h GLU 114 CO 0.03 0.62 -0.12 1.15 -0.73 0.00 0.00 179.01 179.96 3ias h THR 115 N 0.97 0.80 -0.71 0.32 2.02 -1.51 -2.77 112.91 112.04 3ias h THR 115 Ca 0.47 -0.28 0.03 0.00 0.77 0.00 0.00 66.41 67.40 3ias h THR 115 Cb 0.42 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.75 3ias h THR 115 CO -0.25 0.06 0.47 0.40 0.37 0.00 0.00 175.52 176.57 3ias h ILE 116 N -0.47 1.11 0.00 3.11 2.04 -0.76 -2.52 117.51 120.02 3ias h ILE 116 Ca -0.03 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3ias h ILE 116 Cb 0.35 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 3ias h ILE 116 CO 0.06 0.16 0.00 0.54 0.00 0.00 0.00 178.15 178.90 3ias n ARG 117 N -4.45 0.19 -0.10 2.37 1.74 0.83 -0.41 116.66 116.83 3ias n ARG 117 Ca 0.09 0.42 -0.15 0.00 -0.77 0.00 0.00 57.85 57.44 3ias n ARG 117 Cb 0.12 -1.87 -0.14 0.00 -1.02 0.00 0.00 32.46 29.55 3ias n ARG 117 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3ias n VAL 118 N -2.23 1.49 -0.05 1.55 0.24 -1.01 -2.29 118.33 116.03 3ias n VAL 118 Ca 0.02 -0.69 0.04 0.00 -2.04 0.00 0.00 64.34 61.67 3ias n VAL 118 Cb 0.23 -1.09 0.39 0.00 -1.47 0.00 0.00 33.84 31.90 3ias n VAL 118 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 3ias h ILE 119 N 0.01 1.10 0.20 1.34 2.04 -1.08 0.20 117.51 121.32 3ias h ILE 119 Ca -0.54 -0.22 -0.28 0.00 1.00 0.00 0.00 64.86 64.83 3ias h ILE 119 Cb 2.04 0.41 0.03 0.00 -0.74 0.00 0.00 36.82 38.56 3ias h ILE 119 CO -0.02 0.12 -1.20 0.25 0.00 0.00 0.00 178.15 177.30 3ias h LEU 120 N 0.64 0.71 0.54 1.44 7.12 -0.89 -2.86 115.31 122.01 3ias h LEU 120 Ca 0.19 -0.92 -0.03 0.00 0.13 0.00 0.00 57.88 57.25 3ias h LEU 120 Cb -0.01 -0.23 0.01 0.00 -0.53 0.00 0.00 40.66 39.89 3ias h LEU 120 CO -0.04 1.58 -0.26 -1.13 -0.13 0.00 0.00 178.44 178.45 3ias h ASN 121 N -0.04 -0.61 0.23 1.25 -1.24 -0.95 -2.85 115.58 111.37 3ias h ASN 121 Ca -0.21 -0.01 -0.11 0.00 0.71 0.00 0.00 56.30 56.69 3ias h ASN 121 Cb 1.94 0.16 -0.01 0.00 0.73 0.00 0.00 38.32 41.14 3ias h ASN 121 CO 0.23 -0.39 -0.43 -0.33 -1.29 0.00 0.00 177.43 175.21 3ias h GLU 122 N -0.79 0.26 -0.30 6.67 4.39 -0.78 -1.05 114.58 122.98 3ias h GLU 122 Ca -0.07 -0.13 0.02 0.00 0.34 0.00 0.00 59.36 59.52 3ias h GLU 122 Cb 0.58 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 3ias h GLU 122 CO 0.12 0.65 0.20 1.25 -1.16 0.00 0.00 179.01 180.07 3ias h LEU 123 N 0.21 0.28 0.10 1.33 5.85 -1.50 -0.63 115.31 120.95 3ias h LEU 123 Ca 0.02 -0.01 -0.27 0.00 0.84 0.00 0.00 57.88 58.46 3ias h LEU 123 Cb 0.85 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 3ias h LEU 123 CO 0.07 0.20 -1.29 -1.28 -0.34 0.00 0.00 178.44 175.80 3ias h SER 124 N 0.33 0.33 -0.99 1.25 0.87 -1.13 -3.03 113.55 111.19 3ias h SER 124 Ca 0.12 -0.38 0.03 0.00 -1.23 0.00 0.00 61.79 60.33 3ias h SER 124 Cb 0.07 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 61.86 3ias h SER 124 CO -0.03 1.31 0.65 -0.09 -0.53 0.00 0.00 176.83 178.14 3ias h ARG 125 N 0.06 1.22 -0.99 2.24 2.43 -0.33 -0.35 114.38 118.66 3ias h ARG 125 Ca -0.15 -0.07 0.04 0.00 -0.81 0.00 0.00 59.98 58.99 3ias h ARG 125 Cb 1.95 -0.27 -0.06 0.00 -0.42 0.00 0.00 29.97 31.17 3ias h ARG 125 CO 0.18 0.81 0.65 -0.07 -1.51 0.00 0.00 179.97 180.02 3ias h LEU 126 N 1.26 1.08 -0.92 3.80 3.38 -1.16 -1.66 115.31 121.08 3ias h LEU 126 Ca 0.39 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.29 3ias h LEU 126 Cb -0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3ias h LEU 126 CO -0.12 0.73 0.07 0.00 0.09 0.00 0.00 178.44 179.21 3ias h ALA 127 N 1.43 1.12 0.00 1.53 0.00 -0.97 0.17 119.26 122.53 3ias h ALA 127 Ca 0.39 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3ias h ALA 127 Cb 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3ias h ALA 127 CO -0.12 0.58 -0.41 1.03 0.00 0.00 0.00 179.25 180.32 3ias h SER 128 N 0.81 0.00 0.54 0.00 0.87 -0.85 -3.00 113.55 111.92 3ias h SER 128 Ca 0.17 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.44 3ias h SER 128 Cb 0.39 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 3ias h SER 128 CO 0.01 0.41 -1.52 0.45 -0.53 0.00 0.00 176.83 175.66 3ias h HIS 129 N 0.00 0.24 -0.48 2.24 -0.00 -1.12 -3.04 115.15 113.00 3ias h HIS 129 Ca -0.00 -0.18 0.02 0.00 -0.00 0.00 0.00 60.37 60.22 3ias h HIS 129 Cb 1.25 -0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 28.62 3ias h HIS 129 CO 0.00 1.23 0.32 -0.07 -0.00 0.00 0.00 177.93 179.41 3ias h LEU 130 N 0.04 0.48 0.04 2.43 3.38 -0.64 0.11 115.31 121.15 3ias h LEU 130 Ca -0.22 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 3ias h LEU 130 Cb 1.97 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.61 3ias h LEU 130 CO 0.13 0.34 -0.02 0.58 0.09 0.00 0.00 178.44 179.55 3ias h VAL 131 N 0.56 1.30 -0.25 1.22 2.07 -1.59 -1.12 116.25 118.43 3ias h VAL 131 Ca 0.19 -1.23 0.05 0.00 0.82 0.00 0.00 66.70 66.53 3ias h VAL 131 Cb 0.06 2.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 3ias h VAL 131 CO -0.05 0.30 -0.04 0.15 0.02 0.00 0.00 177.57 177.96 3ias h PHE 132 N -0.61 -0.08 -0.29 1.57 3.57 -1.36 -0.66 116.94 119.08 3ias h PHE 132 Ca -0.01 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 3ias h PHE 132 Cb 0.54 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 3ias h PHE 132 CO 0.11 -0.08 0.12 1.25 -2.23 0.00 0.00 178.31 177.47 3ias h LEU 133 N 0.03 0.36 -0.40 0.59 5.85 -0.86 -2.95 115.31 117.93 3ias h LEU 133 Ca 0.12 -0.03 -0.17 0.00 0.84 0.00 0.00 57.88 58.64 3ias h LEU 133 Cb 0.17 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 3ias h LEU 133 CO -0.24 0.33 -0.54 1.23 -0.34 0.00 0.00 178.44 178.89 3ias h GLY 134 N 0.55 0.82 2.00 3.75 0.00 -0.13 -2.27 103.07 107.80 3ias h GLY 134 Ca 0.10 -0.95 0.00 0.00 0.00 0.00 0.00 47.33 46.48 3ias h GLY 134 CO -0.01 0.85 0.00 -0.91 0.00 0.00 0.00 176.54 176.47 3ias h THR 135 N 0.58 0.00 0.00 4.70 1.35 -1.06 -2.83 112.91 115.65 3ias h THR 135 Ca 0.01 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 3ias h THR 135 Cb 1.12 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 3ias h THR 135 CO 0.11 0.00 -1.00 0.61 -0.25 0.00 0.00 175.52 175.00 3ias n GLY 136 N 0.63 -1.44 0.21 5.82 0.00 -1.12 -3.27 105.19 106.02 3ias n GLY 136 Ca 0.03 -0.25 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 3ias n GLY 136 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ias h LEU 137 N 0.00 0.72 0.01 0.99 3.38 -1.17 -3.09 115.31 116.15 3ias h LEU 137 Ca 0.00 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 3ias h LEU 137 Cb 0.96 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3ias h LEU 137 CO 0.00 1.21 -0.00 -0.07 0.09 0.00 0.00 178.44 179.67 3ias h LEU 138 N 0.43 -0.01 0.00 1.67 4.07 -1.62 -1.78 115.31 118.07 3ias h LEU 138 Ca -0.03 -0.36 0.00 0.00 0.08 0.00 0.00 57.88 57.58 3ias h LEU 138 Cb 1.29 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.04 3ias h LEU 138 CO 0.13 0.35 0.00 0.47 -1.08 0.00 0.00 178.44 178.32 3ias n ASP 139 N -4.92 0.00 -0.28 -0.43 8.00 -1.20 0.20 116.55 117.92 3ias n ASP 139 Ca -0.08 0.23 0.04 0.00 0.71 0.00 0.00 54.79 55.69 3ias n ASP 139 Cb 0.19 -0.28 0.02 0.00 -0.02 0.00 0.00 41.12 41.04 3ias n ASP 139 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3ias n LEU 140 N -1.28 1.45 0.00 0.64 0.00 -1.04 -5.01 117.00 111.77 3ias n LEU 140 Ca 0.02 -0.90 0.00 0.00 0.00 0.00 0.00 56.01 55.13 3ias n LEU 140 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.45 3ias n LEU 140 CO 0.02 0.29 0.00 0.61 0.00 0.00 0.00 177.39 178.32 3ias n GLY 141 N 0.63 1.60 3.49 -3.96 0.00 0.13 -4.95 105.19 102.13 3ias n GLY 141 Ca 0.04 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 3ias n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias n ALA 142 N 0.00 0.36 -0.03 4.61 0.00 -1.03 -4.76 120.51 119.66 3ias n ALA 142 Ca 0.00 -0.32 0.02 0.00 0.00 0.00 0.00 53.44 53.14 3ias n ALA 142 Cb 0.00 -2.38 -0.13 0.00 0.00 0.00 0.00 19.45 16.94 3ias n ALA 142 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3ias n LEU 143 N 10.93 0.00 0.04 0.00 0.00 -1.26 -3.57 117.00 123.14 3ias n LEU 143 Ca 0.61 0.00 -0.10 0.00 0.00 0.00 0.00 56.01 56.52 3ias n LEU 143 Cb 0.09 0.15 -0.13 0.00 0.00 0.00 0.00 43.42 43.53 3ias n LEU 143 CO 0.90 0.15 -0.13 0.74 0.00 0.00 0.00 177.39 179.05 3ias h THR 144 N 0.00 1.37 -0.09 1.96 2.02 -1.98 -2.59 112.91 113.59 3ias h THR 144 Ca -0.16 -3.10 -0.01 0.00 0.77 0.00 0.00 66.41 63.91 3ias h THR 144 Cb 1.23 2.73 -0.01 0.00 -1.74 0.00 0.00 68.15 70.36 3ias h THR 144 CO 0.01 0.82 0.01 -0.65 0.37 0.00 0.00 175.52 176.07 3ias h PRO 145 N 0.02 0.13 -0.02 6.66 0.11 -1.96 -2.95 132.00 133.99 3ias h PRO 145 Ca -0.13 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.78 3ias h PRO 145 Cb 1.89 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 32.99 3ias h PRO 145 CO 0.13 0.14 -0.68 0.35 -0.21 0.00 0.00 178.00 177.73 3ias h PHE 146 N 0.13 0.73 0.00 0.65 3.57 -1.61 -2.79 116.94 117.63 3ias h PHE 146 Ca 0.03 -0.38 0.00 0.00 3.53 0.00 0.00 57.97 61.15 3ias h PHE 146 Cb 0.08 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.73 3ias h PHE 146 CO 0.00 1.20 0.00 0.34 -2.23 0.00 0.00 178.31 177.62 3ias n PHE 147 N -4.13 0.00 -0.10 0.41 7.35 -0.98 -1.94 117.46 118.06 3ias n PHE 147 Ca -0.10 0.00 -0.17 0.00 -0.76 0.00 0.00 57.45 56.42 3ias n PHE 147 Cb 0.71 -0.32 -0.07 0.00 0.35 0.00 0.00 39.48 40.15 3ias n PHE 147 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 3ias n TYR 148 N -1.32 0.52 -0.06 -5.13 4.01 -1.13 -4.05 117.16 110.01 3ias n TYR 148 Ca 0.02 0.23 0.22 0.00 -0.16 0.00 0.00 57.90 58.21 3ias n TYR 148 Cb 0.04 -0.87 0.69 0.00 -0.31 0.00 0.00 39.34 38.89 3ias n TYR 148 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3ias h ALA 149 N -0.85 2.57 0.00 -0.72 0.00 -1.16 0.34 119.26 119.43 3ias h ALA 149 Ca -0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3ias h ALA 149 Cb 1.12 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3ias h ALA 149 CO -0.17 -0.75 -0.10 0.35 0.00 0.00 0.00 179.25 178.58 3ias h PHE 150 N 0.03 0.00 0.17 0.00 3.57 -1.60 -2.33 116.94 116.78 3ias h PHE 150 Ca 0.31 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 61.47 3ias h PHE 150 Cb 1.19 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.93 3ias h PHE 150 CO -0.00 0.00 -1.69 -0.09 -2.23 0.00 0.00 178.31 174.30 3ias h ARG 151 N 0.00 0.36 0.29 1.11 2.43 -0.62 -3.16 114.38 114.79 3ias h ARG 151 Ca 0.00 -0.62 0.00 0.00 -0.81 0.00 0.00 59.98 58.55 3ias h ARG 151 Cb 0.93 0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 30.69 3ias h ARG 151 CO 0.00 1.27 -0.34 0.93 -1.51 0.00 0.00 179.97 180.32 3ias h GLU 152 N 0.10 -0.65 -0.52 0.20 3.07 -0.70 -1.73 114.58 114.35 3ias h GLU 152 Ca -0.32 0.04 0.07 0.00 -0.50 0.00 0.00 59.36 58.66 3ias h GLU 152 Cb 2.08 0.15 -0.10 0.00 -0.84 0.00 0.00 28.75 30.04 3ias h GLU 152 CO 0.18 -0.43 -0.47 -0.09 -1.40 0.00 0.00 179.01 176.79 3ias h ARG 153 N -0.68 -0.27 -0.34 2.33 2.43 -1.58 0.11 114.38 116.39 3ias h ARG 153 Ca -0.01 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.28 3ias h ARG 153 Cb 0.63 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 3ias h ARG 153 CO -0.09 -0.18 0.28 0.93 -1.51 0.00 0.00 179.97 179.40 3ias h GLU 154 N -0.28 0.00 -0.05 0.20 4.39 -1.48 0.51 114.58 117.86 3ias h GLU 154 Ca 0.14 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.66 3ias h GLU 154 Cb 0.57 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 3ias h GLU 154 CO -0.65 0.00 -0.76 1.15 -1.16 0.00 0.00 179.01 177.59 3ias h THR 155 N 0.00 1.41 -0.26 1.13 2.02 0.11 -1.37 112.91 115.95 3ias h THR 155 Ca 0.16 -2.24 -0.08 0.00 0.77 0.00 0.00 66.41 65.03 3ias h THR 155 Cb 0.73 2.19 -0.01 0.00 -1.74 0.00 0.00 68.15 69.32 3ias h THR 155 CO -0.00 0.67 -0.14 0.40 0.37 0.00 0.00 175.52 176.82 3ias h ILE 156 N 0.22 1.30 0.00 3.11 2.04 0.10 -3.06 117.51 121.21 3ias h ILE 156 Ca -0.03 -1.23 -0.02 0.00 1.00 0.00 0.00 64.86 64.57 3ias h ILE 156 Cb 1.34 1.54 -0.00 0.00 -0.74 0.00 0.00 36.82 38.95 3ias h ILE 156 CO 0.13 0.39 -0.12 -0.07 0.00 0.00 0.00 178.15 178.47 3ias h LEU 157 N 0.29 0.00 -0.86 1.44 3.38 -1.01 -0.58 115.31 117.98 3ias h LEU 157 Ca 0.06 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 3ias h LEU 157 Cb 0.65 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3ias h LEU 157 CO 0.04 0.12 -0.23 0.44 0.09 0.00 0.00 178.44 178.90 3ias h ASP 158 N 0.00 0.60 -0.41 -0.43 3.32 -1.17 -2.52 116.42 115.81 3ias h ASP 158 Ca -0.00 -0.20 -0.10 0.00 0.02 0.00 0.00 57.03 56.74 3ias h ASP 158 Cb 0.38 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3ias h ASP 158 CO 0.02 0.82 -0.15 -0.07 -1.72 0.00 0.00 179.24 178.13 3ias h LEU 159 N 0.52 0.84 -1.88 1.55 3.38 -1.02 -1.66 115.31 117.03 3ias h LEU 159 Ca 0.08 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 3ias h LEU 159 Cb 0.68 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3ias h LEU 159 CO 0.05 1.03 -0.11 -0.26 0.09 0.00 0.00 178.44 179.25 3ias h PHE 160 N 0.64 0.00 0.00 1.13 0.04 -1.29 -1.63 116.94 115.82 3ias h PHE 160 Ca 0.10 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.75 3ias h PHE 160 Cb 0.69 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.83 3ias h PHE 160 CO 0.05 0.11 -0.64 1.49 -0.60 0.00 0.00 178.31 178.72 3ias h GLU 161 N 0.00 0.00 0.39 1.51 4.81 -1.10 -0.92 114.58 119.26 3ias h GLU 161 Ca -0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3ias h GLU 161 Cb 0.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3ias h GLU 161 CO 0.01 0.47 -0.19 -1.49 -0.73 0.00 0.00 179.01 177.09 3ias h TRP 162 N 0.00 -0.48 0.08 0.92 4.06 -0.35 -2.45 115.95 117.73 3ias h TRP 162 Ca -0.03 -0.01 -0.14 0.00 2.06 0.00 0.00 58.89 60.77 3ias h TRP 162 Cb 1.41 0.16 0.01 0.00 -1.00 0.00 0.00 29.16 29.73 3ias h TRP 162 CO 0.00 -0.17 -0.67 -0.24 -3.56 0.00 0.00 178.44 173.80 3ias h VAL 163 N -0.77 1.49 -0.02 1.49 3.04 -1.54 -3.39 116.25 116.54 3ias h VAL 163 Ca -0.05 -2.42 0.00 0.00 -1.01 0.00 0.00 66.70 63.21 3ias h VAL 163 Cb 0.52 3.11 0.00 0.00 -2.01 0.00 0.00 31.29 32.92 3ias h VAL 163 CO 0.09 0.65 -0.05 0.35 -1.01 0.00 0.00 177.57 177.59 3ias n THR 164 N -4.28 0.00 -1.19 3.17 -2.24 -0.38 -4.88 114.28 104.48 3ias n THR 164 Ca -0.16 -0.47 -0.06 0.00 -2.27 0.00 0.00 64.05 61.08 3ias n THR 164 Cb 0.71 1.33 -0.03 0.00 -2.10 0.00 0.00 70.33 70.24 3ias n THR 164 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ias n GLY 165 N 0.98 0.76 2.94 3.38 0.00 -0.92 -4.71 105.19 107.62 3ias n GLY 165 Ca 0.09 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 3ias n GLY 165 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ias s GLN 166 N -2.18 0.22 0.09 1.61 -0.21 -1.21 -4.91 119.66 113.08 3ias s GLN 166 Ca 0.00 -0.30 -0.26 0.00 0.02 0.00 0.00 55.36 54.82 3ias s GLN 166 Cb 0.00 -0.06 -0.13 0.00 1.00 0.00 0.00 33.01 33.82 3ias s GLN 166 CO 0.00 0.01 1.68 0.00 -2.12 0.00 0.00 175.29 174.86 3ias h ARG 167 N 5.48 -0.34 -3.34 2.91 2.47 -1.84 -3.04 114.38 116.69 3ias h ARG 167 Ca -0.28 0.02 -0.10 0.00 -1.26 0.00 0.00 59.98 58.36 3ias h ARG 167 Cb 1.21 0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 29.59 3ias h ARG 167 CO 0.47 -0.22 0.14 -0.59 0.56 0.00 0.00 179.97 180.32 3ias s PHE 168 N -6.13 0.43 -1.01 3.04 -0.12 -1.26 -4.78 117.98 108.14 3ias s PHE 168 Ca -0.15 -0.98 -0.07 0.00 -0.05 0.00 0.00 56.93 55.68 3ias s PHE 168 Cb 0.06 0.57 0.01 0.00 -0.63 0.00 0.00 43.02 43.03 3ias s PHE 168 CO 0.65 -1.47 0.89 0.72 -0.05 0.00 0.00 175.22 175.96 3ias n HIS 169 N -0.55 -2.16 -2.11 3.49 8.25 -1.26 -4.94 115.22 115.93 3ias n HIS 169 Ca -0.06 0.76 -0.43 0.00 -0.26 0.00 0.00 57.72 57.74 3ias n HIS 169 Cb 0.60 -4.03 -0.03 0.00 1.12 0.00 0.00 29.99 27.66 3ias n HIS 169 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 3ias s HIS 170 N -3.24 2.17 -1.40 4.41 -3.43 -1.26 -4.91 115.29 107.64 3ias s HIS 170 Ca 0.44 0.45 -0.16 0.00 -0.80 0.00 0.00 55.06 54.99 3ias s HIS 170 Cb -0.19 -3.85 0.05 0.00 -1.43 0.00 0.00 32.58 27.15 3ias s HIS 170 CO 0.55 -3.19 2.06 0.09 -2.00 0.00 0.00 174.74 172.24 3ias n ASN 171 N 7.42 4.23 -0.03 7.38 4.13 -1.26 -4.43 115.26 132.70 3ias n ASN 171 Ca 0.17 -2.87 -0.06 0.00 1.68 0.00 0.00 54.58 53.50 3ias n ASN 171 Cb 0.44 -1.69 -0.02 0.00 -1.54 0.00 0.00 39.78 36.97 3ias n ASN 171 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ias n TYR 172 N 6.95 0.00 -1.75 3.10 9.36 -1.26 -4.71 117.16 128.85 3ias n TYR 172 Ca 0.51 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 61.31 3ias n TYR 172 Cb 0.41 -0.22 -0.03 0.00 -0.63 0.00 0.00 39.34 38.88 3ias n TYR 172 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3ias s ILE 173 N -2.12 2.47 0.25 2.97 2.07 -1.26 0.45 121.20 126.03 3ias s ILE 173 Ca -0.09 0.10 0.11 0.00 -1.41 0.00 0.00 60.65 59.36 3ias s ILE 173 Cb 0.03 -3.06 -0.05 0.00 0.13 0.00 0.00 42.46 39.51 3ias s ILE 173 CO 0.11 0.00 -0.12 -0.13 -1.91 0.00 0.00 174.94 172.89 3ias s ARG 174 N 2.32 1.92 0.37 3.50 1.81 -0.36 -4.76 118.95 123.76 3ias s ARG 174 Ca 0.78 -1.56 0.13 0.00 -1.72 0.00 0.00 55.73 53.36 3ias s ARG 174 Cb -0.46 -1.96 0.95 0.00 -0.45 0.00 0.00 34.95 33.03 3ias s ARG 174 CO 0.35 0.36 1.81 0.82 -0.68 0.00 0.00 175.30 177.96 3ias h ILE 175 N 2.29 0.67 0.00 1.52 1.08 -1.93 0.28 117.51 121.42 3ias h ILE 175 Ca -0.43 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 63.85 3ias h ILE 175 Cb 1.24 0.07 0.00 0.00 -3.07 0.00 0.00 36.82 35.07 3ias h ILE 175 CO 0.58 0.10 -0.54 1.23 -0.69 0.00 0.00 178.15 178.84 3ias h GLY 176 N 0.55 0.00 0.00 5.37 0.00 -1.91 -3.43 103.07 103.65 3ias h GLY 176 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.86 3ias h GLY 176 CO -0.27 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.88 3ias n GLY 177 N 1.19 -1.52 3.38 4.60 0.00 0.09 -2.95 105.19 109.97 3ias n GLY 177 Ca 0.02 0.58 -0.14 0.00 0.00 0.00 0.00 46.02 46.48 3ias n GLY 177 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ias s VAL 178 N 0.00 0.01 0.16 1.61 -7.23 -1.00 -1.22 120.40 112.73 3ias s VAL 178 Ca 0.00 -0.04 -0.30 0.00 -1.81 0.00 0.00 61.98 59.83 3ias s VAL 178 Cb 0.00 -0.69 -0.05 0.00 0.56 0.00 0.00 36.38 36.20 3ias s VAL 178 CO 0.00 -0.02 1.54 0.50 -0.31 0.00 0.00 175.10 176.81 3ias h LYS 179 N 5.12 -0.01 -4.31 4.82 3.64 -0.29 -3.42 116.57 122.12 3ias h LYS 179 Ca -0.28 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 58.81 3ias h LYS 179 Cb 1.17 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.90 3ias h LYS 179 CO 0.23 -0.01 -0.31 -1.83 -2.27 0.00 0.00 179.45 175.26 3ias s GLU 180 N -5.53 1.75 1.01 1.90 -1.05 -1.26 -5.04 118.70 110.48 3ias s GLU 180 Ca -0.12 -1.75 -0.12 0.00 -0.15 0.00 0.00 54.97 52.83 3ias s GLU 180 Cb 0.11 0.40 0.19 0.00 -0.44 0.00 0.00 34.13 34.40 3ias s GLU 180 CO 0.63 -0.69 1.09 0.34 0.95 0.00 0.00 175.26 177.58 3ias s ASP 181 N -3.23 2.54 0.37 0.83 -1.08 -1.26 -5.03 116.67 109.81 3ias s ASP 181 Ca 0.33 1.18 -0.15 0.00 -0.52 0.00 0.00 52.55 53.39 3ias s ASP 181 Cb 0.01 -1.84 -0.09 0.00 -1.46 0.00 0.00 42.92 39.54 3ias s ASP 181 CO 0.20 -3.18 0.80 -1.48 0.52 0.00 0.00 175.17 172.02 3ias s LEU 182 N -6.49 3.96 1.00 -1.34 0.05 -1.26 -5.04 118.68 109.55 3ias s LEU 182 Ca 0.65 1.34 -0.15 0.00 0.05 0.00 0.00 54.13 56.02 3ias s LEU 182 Cb -0.19 -4.18 0.19 0.00 -2.05 0.00 0.00 46.19 39.97 3ias s LEU 182 CO 0.58 -0.30 1.17 -2.16 -0.55 0.00 0.00 176.35 175.09 3ias s PRO 183 N -3.28 0.44 0.23 1.48 0.04 -1.26 -4.98 135.00 127.68 3ias s PRO 183 Ca 0.55 0.04 -0.05 0.00 0.04 0.00 0.00 61.00 61.58 3ias s PRO 183 Cb -0.10 -1.78 0.23 0.00 0.04 0.00 0.00 34.50 32.89 3ias s PRO 183 CO 0.21 -2.63 1.74 0.93 0.04 0.00 0.00 177.00 177.29 3ias h GLU 184 N -1.80 0.97 -0.90 4.56 3.07 -1.98 -3.13 114.58 115.37 3ias h GLU 184 Ca -0.48 -0.24 -0.03 0.00 -0.50 0.00 0.00 59.36 58.11 3ias h GLU 184 Cb 1.30 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 29.07 3ias h GLU 184 CO 0.50 0.90 0.03 0.39 -1.40 0.00 0.00 179.01 179.43 3ias n GLU 185 N -4.23 2.01 -0.07 2.33 4.71 -1.26 -3.87 120.64 120.26 3ias n GLU 185 Ca 0.04 -0.91 -0.21 0.00 -0.01 0.00 0.00 57.16 56.07 3ias n GLU 185 Cb 0.28 -1.66 -0.13 0.00 -1.01 0.00 0.00 31.44 28.92 3ias n GLU 185 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 3ias n PHE 186 N 0.15 0.66 0.06 -0.32 7.35 -1.18 -4.10 117.46 120.08 3ias n PHE 186 Ca 0.10 0.17 -0.13 0.00 -0.76 0.00 0.00 57.45 56.83 3ias n PHE 186 Cb 0.58 -1.08 -0.07 0.00 0.35 0.00 0.00 39.48 39.26 3ias n PHE 186 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3ias h VAL 187 N -0.20 0.97 0.35 -2.13 2.07 -1.79 -1.67 116.25 113.85 3ias h VAL 187 Ca -0.50 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 3ias h VAL 187 Cb 1.85 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 32.64 3ias h VAL 187 CO -0.07 0.03 -0.52 1.55 0.02 0.00 0.00 177.57 178.58 3ias h PRO 188 N -0.12 -0.87 -0.75 1.57 0.13 -1.80 -2.71 132.00 127.44 3ias h PRO 188 Ca -0.01 0.06 0.01 0.00 -0.87 0.00 0.00 66.00 65.19 3ias h PRO 188 Cb 0.10 0.20 -0.04 0.00 0.13 0.00 0.00 31.00 31.39 3ias h PRO 188 CO 0.01 -0.58 0.50 0.93 -0.23 0.00 0.00 178.00 178.63 3ias h GLU 189 N -0.91 0.98 0.00 0.86 4.39 -1.71 0.33 114.58 118.53 3ias h GLU 189 Ca -0.04 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 3ias h GLU 189 Cb 0.83 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 29.26 3ias h GLU 189 CO -0.15 0.65 -0.05 1.25 -1.16 0.00 0.00 179.01 179.54 3ias h LEU 190 N 1.01 0.00 -0.12 1.33 5.85 -1.24 -2.13 115.31 120.01 3ias h LEU 190 Ca 0.28 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.84 3ias h LEU 190 Cb -0.11 0.00 0.01 0.00 0.37 0.00 0.00 40.66 40.93 3ias h LEU 190 CO -0.06 0.05 -0.53 0.11 -0.34 0.00 0.00 178.44 177.67 3ias h LYS 191 N 0.00 0.57 -0.16 1.25 1.57 -0.60 -0.80 116.57 118.39 3ias h LYS 191 Ca -0.00 -0.45 0.05 0.00 -1.87 0.00 0.00 60.65 58.37 3ias h LYS 191 Cb 0.25 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.60 3ias h LYS 191 CO 0.01 1.08 -0.15 0.87 -0.57 0.00 0.00 179.45 180.69 3ias h LYS 192 N 0.20 -0.16 0.00 3.15 1.57 -1.12 -1.71 116.57 118.50 3ias h LYS 192 Ca -0.03 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3ias h LYS 192 Cb 1.16 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3ias h LYS 192 CO 0.11 -0.11 0.00 1.25 -0.57 0.00 0.00 179.45 180.13 3ias h LEU 193 N -0.16 0.00 -2.28 2.94 6.46 -1.56 -2.97 115.31 117.72 3ias h LEU 193 Ca 0.10 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 3ias h LEU 193 Cb 0.32 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 3ias h LEU 193 CO -0.26 0.00 0.00 -0.11 -0.62 0.00 0.00 178.44 177.45 3ias n LEU 194 N -2.91 3.43 -0.00 2.25 7.94 -0.31 -3.54 117.00 123.87 3ias n LEU 194 Ca 0.04 -1.73 -0.00 0.00 -1.11 0.00 0.00 56.01 53.21 3ias n LEU 194 Cb 0.46 -0.46 -0.00 0.00 0.53 0.00 0.00 43.42 43.95 3ias n LEU 194 CO 0.32 0.64 -0.50 1.21 -1.11 0.00 0.00 177.39 177.94 3ias n GLU 195 N 0.82 0.74 0.10 1.96 2.13 -0.69 -4.70 120.64 120.99 3ias n GLU 195 Ca 0.19 0.00 0.13 0.00 0.66 0.00 0.00 57.16 58.13 3ias n GLU 195 Cb 0.63 -1.00 0.31 0.00 0.27 0.00 0.00 31.44 31.65 3ias n GLU 195 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 3ias h VAL 196 N 0.00 0.00 0.06 6.31 3.04 -1.68 -3.35 116.25 120.63 3ias h VAL 196 Ca -0.00 -0.52 -0.26 0.00 -1.01 0.00 0.00 66.70 64.90 3ias h VAL 196 Cb 1.00 1.39 0.01 0.00 -2.01 0.00 0.00 31.29 31.68 3ias h VAL 196 CO -0.00 0.00 -1.11 -0.07 -1.01 0.00 0.00 177.57 175.38 3ias h LEU 197 N 0.00 0.67 0.00 3.16 3.38 -1.84 -3.27 115.31 117.42 3ias h LEU 197 Ca 0.00 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.38 3ias h LEU 197 Cb 0.76 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3ias h LEU 197 CO 0.00 1.41 0.00 -2.65 0.09 0.00 0.00 178.44 177.29 3ias n PRO 198 N -3.74 0.00 0.23 1.13 -0.02 -1.26 -0.75 135.00 130.60 3ias n PRO 198 Ca -0.10 0.62 0.09 0.00 -2.02 0.00 0.00 63.50 62.09 3ias n PRO 198 Cb 0.92 -1.09 0.56 0.00 -0.02 0.00 0.00 33.50 33.88 3ias n PRO 198 CO 0.00 0.00 0.00 1.12 1.98 0.00 0.00 175.50 178.60 3ias h HIS 199 N 0.00 0.00 -0.90 6.00 2.07 -1.86 -3.09 115.15 117.37 3ias h HIS 199 Ca 0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 3ias h HIS 199 Cb 0.00 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 29.94 3ias h HIS 199 CO -0.27 0.21 0.53 -0.09 -3.07 0.00 0.00 177.93 175.25 3ias h ARG 200 N 0.00 1.23 -0.08 5.12 9.65 -1.37 -0.91 114.38 128.03 3ias h ARG 200 Ca -0.00 -0.12 -0.04 0.00 -1.10 0.00 0.00 59.98 58.72 3ias h ARG 200 Cb 0.51 -0.25 -0.01 0.00 -1.39 0.00 0.00 29.97 28.83 3ias h ARG 200 CO 0.03 0.87 -0.15 0.82 2.80 0.00 0.00 179.97 184.34 3ias h ILE 201 N 1.25 1.15 -0.18 1.20 5.03 -0.85 -2.51 117.51 122.60 3ias h ILE 201 Ca 0.32 -0.69 -0.16 0.00 -0.12 0.00 0.00 64.86 64.22 3ias h ILE 201 Cb -0.03 1.26 -0.01 0.00 -3.03 0.00 0.00 36.82 35.01 3ias h ILE 201 CO -0.06 0.21 -0.54 0.44 -0.68 0.00 0.00 178.15 177.52 3ias h ASP 202 N 0.11 0.58 -0.85 1.72 3.32 -1.32 -1.88 116.42 118.10 3ias h ASP 202 Ca 0.02 -0.31 0.06 0.00 0.02 0.00 0.00 57.03 56.82 3ias h ASP 202 Cb 0.34 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.67 3ias h ASP 202 CO 0.02 1.01 0.56 -0.33 -1.72 0.00 0.00 179.24 178.78 3ias h GLU 203 N 0.41 0.95 -0.11 3.56 4.39 -0.86 0.90 114.58 123.82 3ias h GLU 203 Ca 0.01 -0.06 -0.19 0.00 0.34 0.00 0.00 59.36 59.47 3ias h GLU 203 Cb 1.07 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 29.50 3ias h GLU 203 CO 0.10 0.63 -0.70 1.88 -1.16 0.00 0.00 179.01 179.76 3ias h TYR 204 N 0.98 0.67 -0.06 4.33 -1.99 -1.30 -2.42 116.97 117.18 3ias h TYR 204 Ca 0.36 -0.28 -0.13 0.00 2.00 0.00 0.00 58.73 60.68 3ias h TYR 204 Cb 0.17 -0.11 -0.01 0.00 2.00 0.00 0.00 36.73 38.77 3ias h TYR 204 CO -0.00 1.05 -0.55 1.49 -0.00 0.00 0.00 178.16 180.15 3ias h GLU 205 N 0.35 0.19 0.54 4.88 4.81 -0.58 -3.13 114.58 121.64 3ias h GLU 205 Ca -0.03 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.06 3ias h GLU 205 Cb 1.28 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.68 3ias h GLU 205 CO 0.13 0.69 -0.26 0.00 -0.73 0.00 0.00 179.01 178.84 3ias h ALA 206 N 1.29 -1.19 -0.93 2.92 0.00 1.00 -1.13 119.26 121.22 3ias h ALA 206 Ca -0.00 -0.16 0.21 0.00 0.00 0.00 0.00 54.91 54.96 3ias h ALA 206 Cb 1.02 0.29 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 3ias h ALA 206 CO 0.08 -1.14 0.61 -0.07 0.00 0.00 0.00 179.25 178.73 3ias h LEU 207 N -0.73 0.47 0.00 0.00 3.38 -1.51 -0.38 115.31 116.54 3ias h LEU 207 Ca -0.07 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 3ias h LEU 207 Cb 0.56 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3ias h LEU 207 CO 0.12 0.18 -0.90 -0.26 0.09 0.00 0.00 178.44 177.67 3ias h PHE 208 N 0.46 0.00 0.19 1.13 -1.00 -1.54 -3.37 116.94 112.82 3ias h PHE 208 Ca 0.50 0.00 -0.33 0.00 2.81 0.00 0.00 57.97 60.94 3ias h PHE 208 Cb 1.15 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.73 3ias h PHE 208 CO -0.00 0.32 -1.62 0.00 -1.61 0.00 0.00 178.31 175.40 3ias h ALA 209 N 1.68 0.07 -0.14 2.45 0.00 -0.30 -3.33 119.26 119.69 3ias h ALA 209 Ca -0.06 -1.06 -0.69 0.00 0.00 0.00 0.00 54.91 53.10 3ias h ALA 209 Cb 1.30 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 3ias h ALA 209 CO 0.03 0.90 3.42 0.39 0.00 0.00 0.00 179.25 183.99 3ias n GLU 210 N -3.68 3.65 -2.15 0.00 1.02 -0.24 -4.94 120.64 114.31 3ias n GLU 210 Ca -0.23 -2.53 -0.35 0.00 -0.02 0.00 0.00 57.16 54.03 3ias n GLU 210 Cb 1.05 -2.88 -0.04 0.00 -0.02 0.00 0.00 31.44 29.55 3ias n GLU 210 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3ias s SER 211 N 2.06 5.43 0.00 1.62 1.04 -1.25 -4.88 113.70 117.71 3ias s SER 211 Ca 0.61 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.77 3ias s SER 211 Cb 0.17 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.74 3ias s SER 211 CO -0.07 -2.37 0.15 -0.81 0.98 0.00 0.00 173.24 171.12 3ias n PRO 212 N 9.06 0.00 -0.08 4.02 -0.04 -1.26 -3.56 135.00 143.14 3ias n PRO 212 Ca 0.27 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.61 3ias n PRO 212 Cb 0.50 -0.65 -0.05 0.00 -0.04 0.00 0.00 33.50 33.26 3ias n PRO 212 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3ias h ILE 213 N 0.00 1.29 -0.93 0.52 5.03 -1.96 -3.35 117.51 118.11 3ias h ILE 213 Ca 0.00 -1.08 0.27 0.00 -0.12 0.00 0.00 64.86 63.93 3ias h ILE 213 Cb 0.00 1.52 -0.16 0.00 -3.03 0.00 0.00 36.82 35.15 3ias h ILE 213 CO 0.00 0.33 0.18 0.15 -0.68 0.00 0.00 178.15 178.13 3ias h PHE 214 N 0.18 0.23 0.07 1.37 3.57 -1.95 -0.09 116.94 120.33 3ias h PHE 214 Ca 0.06 0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.64 3ias h PHE 214 Cb 0.53 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.27 3ias h PHE 214 CO 0.05 -0.33 -0.44 -0.92 -2.23 0.00 0.00 178.31 174.44 3ias h TYR 215 N 0.10 -1.26 0.00 0.41 -0.00 -1.69 -2.01 116.97 112.52 3ias h TYR 215 Ca 0.60 0.04 0.00 0.00 -0.00 0.00 0.00 58.73 59.36 3ias h TYR 215 Cb 1.27 0.54 0.00 0.00 -0.00 0.00 0.00 36.73 38.55 3ias h TYR 215 CO -0.34 -0.53 0.00 -1.91 -0.00 0.00 0.00 178.16 175.39 3ias n GLU 216 N -5.46 0.05 -0.04 1.82 2.13 -0.09 -1.96 120.64 117.08 3ias n GLU 216 Ca -0.07 0.26 -0.03 0.00 0.66 0.00 0.00 57.16 57.98 3ias n GLU 216 Cb 0.38 -1.59 -0.14 0.00 0.27 0.00 0.00 31.44 30.36 3ias n GLU 216 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3ias n ARG 217 N -1.68 0.66 0.00 5.31 5.12 -0.82 -4.80 116.66 120.45 3ias n ARG 217 Ca 0.04 0.05 0.00 0.00 -1.93 0.00 0.00 57.85 56.00 3ias n ARG 217 Cb 0.21 -1.62 0.00 0.00 -1.16 0.00 0.00 32.46 29.88 3ias n ARG 217 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ias n ALA 218 N -2.54 1.95 -0.28 7.54 0.00 -0.85 -4.85 120.51 121.48 3ias n ALA 218 Ca -0.20 0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.54 3ias n ALA 218 Cb 0.95 0.21 0.45 0.00 0.00 0.00 0.00 19.45 21.07 3ias n ALA 218 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3ias n ARG 219 N -1.88 0.01 -0.04 0.00 0.00 -0.83 -1.80 116.66 112.12 3ias n ARG 219 Ca 0.00 0.91 -0.05 0.00 -0.00 0.00 0.00 57.85 58.71 3ias n ARG 219 Cb 0.22 -2.24 -0.04 0.00 0.00 0.00 0.00 32.46 30.40 3ias n ARG 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3ias n GLY 220 N -1.65 -0.17 3.81 5.14 0.00 -1.26 -4.85 105.19 106.21 3ias n GLY 220 Ca 0.24 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 3ias n GLY 220 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ias s VAL 221 N -2.17 3.61 -0.47 1.61 -7.23 -0.75 -4.44 120.40 110.56 3ias s VAL 221 Ca -0.10 0.52 -0.01 0.00 -1.81 0.00 0.00 61.98 60.58 3ias s VAL 221 Cb 0.03 -3.24 0.00 0.00 0.56 0.00 0.00 36.38 33.73 3ias s VAL 221 CO 0.22 -0.68 0.46 0.61 -0.31 0.00 0.00 175.10 175.39 3ias n GLY 222 N -1.95 -0.95 3.59 2.32 0.00 -1.24 -2.70 105.19 104.24 3ias n GLY 222 Ca 0.07 0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.99 3ias n GLY 222 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ias s VAL 223 N -2.89 4.09 -0.49 1.61 -7.23 -1.18 -3.53 120.40 110.78 3ias s VAL 223 Ca 0.02 1.02 -0.10 0.00 -1.81 0.00 0.00 61.98 61.11 3ias s VAL 223 Cb -0.01 -4.68 0.12 0.00 0.56 0.00 0.00 36.38 32.38 3ias s VAL 223 CO 0.50 -1.21 0.38 -0.63 -0.31 0.00 0.00 175.10 173.83 3ias s ILE 224 N 4.75 4.36 -0.13 -0.62 1.01 0.20 -4.66 121.20 126.10 3ias s ILE 224 Ca 0.45 -1.80 -0.29 0.00 0.00 0.00 0.00 60.65 59.00 3ias s ILE 224 Cb -0.07 -3.85 -0.05 0.00 0.01 0.00 0.00 42.46 38.49 3ias s ILE 224 CO 0.28 -0.80 1.84 -2.16 0.00 0.00 0.00 174.94 174.10 3ias s PRO 225 N 1.32 3.79 0.59 2.79 0.04 -1.26 -3.51 135.00 138.76 3ias s PRO 225 Ca 0.06 2.05 0.31 0.00 0.04 0.00 0.00 61.00 63.46 3ias s PRO 225 Cb -0.26 -4.14 1.21 0.00 0.04 0.00 0.00 34.50 31.36 3ias s PRO 225 CO -0.01 -1.33 1.53 -1.35 0.04 0.00 0.00 177.00 175.89 3ias h PRO 226 N 11.50 0.00 -0.01 0.56 0.11 -1.96 0.11 132.00 142.31 3ias h PRO 226 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3ias h PRO 226 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3ias h PRO 226 CO 0.97 0.00 -0.39 0.39 -0.21 0.00 0.00 178.00 178.76 3ias n GLU 227 N -3.51 1.56 -0.04 1.05 1.02 -1.26 -3.99 120.64 115.47 3ias n GLU 227 Ca 0.22 -0.81 -0.03 0.00 -0.02 0.00 0.00 57.16 56.52 3ias n GLU 227 Cb 1.32 -1.32 -0.14 0.00 -0.02 0.00 0.00 31.44 31.28 3ias n GLU 227 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3ias n VAL 228 N -0.17 1.06 -0.33 2.62 0.31 0.28 -4.00 118.33 118.10 3ias n VAL 228 Ca 0.07 -0.74 -0.04 0.00 -0.01 0.00 0.00 64.34 63.62 3ias n VAL 228 Cb 0.36 -0.47 0.08 0.00 -0.91 0.00 0.00 33.84 32.90 3ias n VAL 228 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ias h ALA 229 N 1.31 1.13 -0.12 3.52 0.00 -1.44 -0.06 119.26 123.61 3ias h ALA 229 Ca -0.32 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3ias h ALA 229 Cb 1.81 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3ias h ALA 229 CO 0.03 0.65 0.00 -0.89 0.00 0.00 0.00 179.25 179.04 3ias n ILE 230 N -4.34 0.55 -0.01 0.00 5.41 -1.26 -1.29 119.36 118.43 3ias n ILE 230 Ca 0.09 -0.28 -0.01 0.00 1.00 0.00 0.00 62.75 63.55 3ias n ILE 230 Cb 0.10 -0.43 -0.01 0.00 -0.71 0.00 0.00 39.64 38.60 3ias n ILE 230 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 3ias n ASP 231 N 0.12 4.59 0.01 4.38 -0.08 -0.14 -4.67 116.55 120.76 3ias n ASP 231 Ca 0.06 -0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.44 3ias n ASP 231 Cb 0.43 0.53 -0.05 0.00 2.34 0.00 0.00 41.12 44.36 3ias n ASP 231 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3ias n LEU 232 N -2.07 0.68 0.00 -2.67 4.77 -0.58 -4.98 117.00 112.15 3ias n LEU 232 Ca -0.03 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 3ias n LEU 232 Cb 0.55 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3ias n LEU 232 CO 0.03 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 3ias n GLY 233 N 1.42 0.79 3.30 -0.72 0.00 -0.41 -4.75 105.19 104.83 3ias n GLY 233 Ca 0.02 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 3ias n GLY 233 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ias n LEU 234 N 0.00 3.04 -0.11 0.99 -0.00 -0.42 -4.41 117.00 116.09 3ias n LEU 234 Ca 0.00 -2.59 0.13 0.00 -0.00 0.00 0.00 56.01 53.55 3ias n LEU 234 Cb 0.22 -1.11 0.39 0.00 -0.00 0.00 0.00 43.42 42.92 3ias n LEU 234 CO 0.00 -1.19 0.64 0.41 -0.00 0.00 0.00 177.39 177.26 3ias n THR 235 N 6.72 0.00 -0.97 1.96 -1.04 -1.26 -3.59 114.28 116.10 3ias n THR 235 Ca 0.48 -0.06 -0.22 0.00 -2.04 0.00 0.00 64.05 62.21 3ias n THR 235 Cb 0.42 0.19 -0.08 0.00 -1.82 0.00 0.00 70.33 69.04 3ias n THR 235 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ias n GLY 236 N 1.40 3.29 4.14 3.41 0.00 -1.25 -4.29 105.19 111.88 3ias n GLY 236 Ca 0.10 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.98 3ias n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ias n GLY 237 N 3.16 0.00 0.91 -0.02 0.00 -1.26 -4.28 105.19 103.71 3ias n GLY 237 Ca 0.52 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.64 3ias n GLY 237 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ias n SER 238 N 0.00 3.00 -0.03 1.61 3.41 -1.26 -3.73 113.62 116.61 3ias n SER 238 Ca 0.00 -1.89 -0.11 0.00 -0.26 0.00 0.00 58.87 56.61 3ias n SER 238 Cb 0.00 -0.14 -0.10 0.00 -0.26 0.00 0.00 64.21 63.71 3ias n SER 238 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3ias h LEU 239 N 3.82 -0.04 -1.03 1.04 6.46 -1.76 -3.34 115.31 120.45 3ias h LEU 239 Ca 0.00 -0.65 0.00 0.00 -0.12 0.00 0.00 57.88 57.11 3ias h LEU 239 Cb 0.86 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.80 3ias h LEU 239 CO 0.00 0.73 0.00 0.08 -0.62 0.00 0.00 178.44 178.63 3ias h ARG 240 N -0.91 0.00 0.00 1.25 0.11 -1.71 -1.89 114.38 111.23 3ias h ARG 240 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3ias h ARG 240 Cb 0.69 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.77 3ias h ARG 240 CO 0.01 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.08 3ias h ALA 241 N 2.12 1.00 -0.14 0.08 0.00 -1.68 0.88 119.26 121.51 3ias h ALA 241 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3ias h ALA 241 Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3ias h ALA 241 CO 0.00 0.00 -0.11 -1.13 0.00 0.00 0.00 179.25 178.01 3ias n SER 242 N -2.69 2.64 0.00 0.00 3.41 -0.71 -3.82 113.62 112.44 3ias n SER 242 Ca 0.00 -3.39 0.00 0.00 -0.26 0.00 0.00 58.87 55.22 3ias n SER 242 Cb 0.20 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 3ias n SER 242 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ias n GLY 243 N -1.08 1.24 3.62 5.00 0.00 -0.81 -4.15 105.19 109.01 3ias n GLY 243 Ca 0.22 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 3ias n GLY 243 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ias s VAL 244 N -2.00 3.50 -0.48 1.61 1.01 -1.23 -5.01 120.40 117.80 3ias s VAL 244 Ca 0.00 -1.47 0.04 0.00 0.00 0.00 0.00 61.98 60.55 3ias s VAL 244 Cb 0.00 -2.73 0.43 0.00 0.00 0.00 0.00 36.38 34.07 3ias s VAL 244 CO 0.00 -0.07 1.38 -3.20 0.00 0.00 0.00 175.10 173.21 3ias n ASN 245 N 0.06 5.56 -4.25 3.32 5.15 -1.26 -4.02 115.26 119.82 3ias n ASN 245 Ca -0.11 -3.76 -0.42 0.00 -0.60 0.00 0.00 54.58 49.70 3ias n ASN 245 Cb 0.55 -0.57 -0.03 0.00 -0.53 0.00 0.00 39.78 39.19 3ias n ASN 245 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3ias s TYR 246 N -3.67 3.96 -0.25 1.20 5.04 -1.26 -4.98 117.35 117.39 3ias s TYR 246 Ca 0.52 -2.63 -0.08 0.00 -2.44 0.00 0.00 57.07 52.43 3ias s TYR 246 Cb 0.42 -3.60 -0.04 0.00 0.35 0.00 0.00 41.96 39.09 3ias s TYR 246 CO -0.13 -0.89 0.10 0.34 -1.34 0.00 0.00 175.55 173.64 3ias s ASP 247 N 1.03 5.42 0.49 4.32 -1.08 -1.26 -4.90 116.67 120.70 3ias s ASP 247 Ca 0.25 -0.13 0.14 0.00 -0.52 0.00 0.00 52.55 52.29 3ias s ASP 247 Cb -0.10 -1.98 1.16 0.00 -1.46 0.00 0.00 42.92 40.54 3ias s ASP 247 CO -0.09 -0.02 2.12 0.58 0.52 0.00 0.00 175.17 178.28 3ias h VAL 248 N 5.45 1.02 0.00 1.11 2.07 -1.95 0.13 116.25 124.08 3ias h VAL 248 Ca -0.37 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.10 3ias h VAL 248 Cb 1.18 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 3ias h VAL 248 CO 0.58 0.03 0.00 0.54 0.02 0.00 0.00 177.57 178.74 3ias n ARG 249 N -4.52 0.17 -0.07 1.57 1.74 -1.26 -1.14 116.66 113.15 3ias n ARG 249 Ca -0.01 0.49 -0.13 0.00 -0.77 0.00 0.00 57.85 57.43 3ias n ARG 249 Cb 0.09 -1.89 -0.06 0.00 -1.02 0.00 0.00 32.46 29.59 3ias n ARG 249 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3ias n LYS 250 N -2.22 0.32 0.14 5.56 4.76 -0.47 -4.33 118.16 121.92 3ias n LYS 250 Ca 0.01 0.11 -0.13 0.00 -2.87 0.00 0.00 58.31 55.43 3ias n LYS 250 Cb 0.16 -1.12 -0.07 0.00 -1.84 0.00 0.00 35.03 32.17 3ias n LYS 250 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ias h ALA 251 N -0.29 -0.32 -2.12 7.82 0.00 -0.64 -3.35 119.26 120.37 3ias h ALA 251 Ca -0.34 -0.05 -0.53 0.00 0.00 0.00 0.00 54.91 53.99 3ias h ALA 251 Cb 1.38 0.19 -0.41 0.00 0.00 0.00 0.00 17.79 18.96 3ias h ALA 251 CO -0.15 -0.70 -0.96 0.66 0.00 0.00 0.00 179.25 178.11 3ias n TYR 252 N -5.27 1.81 -1.41 0.00 4.01 -0.29 -5.06 117.16 110.95 3ias n TYR 252 Ca -0.08 -3.89 -0.42 0.00 -0.16 0.00 0.00 57.90 53.35 3ias n TYR 252 Cb 0.18 -0.45 0.00 0.00 -0.31 0.00 0.00 39.34 38.77 3ias n TYR 252 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 3ias n PRO 253 N 0.08 0.39 0.00 -0.72 -0.02 -1.24 -4.84 135.00 128.66 3ias n PRO 253 Ca 0.27 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3ias n PRO 253 Cb 0.54 -1.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.67 3ias n PRO 253 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 3ias n TYR 254 N -0.90 0.00 0.00 6.00 0.18 -1.26 -4.92 117.16 116.26 3ias n TYR 254 Ca 0.12 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.90 3ias n TYR 254 Cb 0.39 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.35 3ias n TYR 254 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 3ias n SER 255 N 0.00 0.00 0.00 9.48 3.41 -1.26 -3.76 113.62 121.49 3ias n SER 255 Ca 0.00 -0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.30 3ias n SER 255 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3ias n SER 255 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ias n GLY 256 N 1.28 0.86 0.31 5.00 0.00 -1.26 -4.89 105.19 106.49 3ias n GLY 256 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.21 3ias n GLY 256 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3ias h TYR 257 N 0.00 0.00 0.00 1.61 0.99 -1.88 0.07 116.97 117.76 3ias h TYR 257 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3ias h TYR 257 Cb 0.00 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.73 3ias h TYR 257 CO 0.00 0.00 0.07 1.49 -0.00 0.00 0.00 178.16 179.72 3ias h GLU 258 N 0.00 0.00 -0.76 4.88 4.81 -1.79 -3.16 114.58 118.56 3ias h GLU 258 Ca 0.00 0.00 -0.48 0.00 -0.13 0.00 0.00 59.36 58.75 3ias h GLU 258 Cb 0.24 0.00 -0.42 0.00 0.63 0.00 0.00 28.75 29.19 3ias h GLU 258 CO 0.00 0.00 -0.88 0.25 -0.73 0.00 0.00 179.01 177.65 3ias n THR 259 N -2.25 2.22 -4.21 0.32 -2.24 0.01 -5.07 114.28 103.06 3ias n THR 259 Ca -0.01 -3.99 -0.16 0.00 -2.27 0.00 0.00 64.05 57.62 3ias n THR 259 Cb 0.10 -0.60 -0.11 0.00 -2.10 0.00 0.00 70.33 67.63 3ias n THR 259 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3ias s TYR 260 N -3.62 1.21 -0.55 4.78 1.51 -1.20 -5.09 117.35 114.39 3ias s TYR 260 Ca 0.45 -0.62 -0.27 0.00 -1.01 0.00 0.00 57.07 55.63 3ias s TYR 260 Cb 0.39 -0.65 -0.02 0.00 -0.11 0.00 0.00 41.96 41.58 3ias s TYR 260 CO 0.00 0.07 1.80 0.99 -1.11 0.00 0.00 175.55 177.30 3ias s THR 261 N -2.35 3.43 -0.09 -0.71 2.01 -1.26 -4.95 115.64 111.72 3ias s THR 261 Ca 0.07 0.31 -0.01 0.00 0.31 0.00 0.00 61.69 62.38 3ias s THR 261 Cb -0.03 -3.94 0.03 0.00 0.01 0.00 0.00 72.50 68.56 3ias s THR 261 CO 0.01 -0.84 -0.05 0.12 -0.69 0.00 0.00 174.62 173.17 3ias s PHE 262 N 8.31 1.15 -0.19 4.92 5.36 -1.26 -4.61 117.98 131.65 3ias s PHE 262 Ca 0.68 -0.49 -0.01 0.00 -0.96 0.00 0.00 56.93 56.14 3ias s PHE 262 Cb -0.14 -1.03 0.00 0.00 -0.34 0.00 0.00 43.02 41.51 3ias s PHE 262 CO 0.24 -0.41 -0.12 -0.51 -1.46 0.00 0.00 175.22 172.95 3ias s ASP 263 N 1.69 3.73 -0.46 6.13 1.01 -1.26 -5.08 116.67 122.42 3ias s ASP 263 Ca 0.03 -0.51 -0.20 0.00 0.71 0.00 0.00 52.55 52.58 3ias s ASP 263 Cb -0.13 -1.61 0.03 0.00 1.01 0.00 0.00 42.92 42.23 3ias s ASP 263 CO -0.06 0.00 0.62 -0.69 0.21 0.00 0.00 175.17 175.25 3ias s VAL 264 N 1.30 4.86 0.47 -1.27 1.01 -1.26 -4.86 120.40 120.65 3ias s VAL 264 Ca 0.04 -0.13 -0.24 0.00 0.00 0.00 0.00 61.98 61.65 3ias s VAL 264 Cb -0.14 -4.22 -0.07 0.00 0.00 0.00 0.00 36.38 31.95 3ias s VAL 264 CO -0.07 -0.65 1.33 -2.84 0.00 0.00 0.00 175.10 172.87 3ias s PRO 265 N 2.71 3.61 0.09 2.72 0.02 -1.26 -5.03 135.00 137.85 3ias s PRO 265 Ca 0.19 2.20 0.08 0.00 0.02 0.00 0.00 61.00 63.49 3ias s PRO 265 Cb -0.16 -2.53 -0.03 0.00 0.02 0.00 0.00 34.50 31.80 3ias s PRO 265 CO 0.16 -0.80 -0.21 -0.51 -0.33 0.00 0.00 177.00 175.31 3ias s LEU 266 N -2.93 2.27 0.08 -5.54 1.43 -1.26 -4.70 118.68 108.03 3ias s LEU 266 Ca 0.63 -0.64 0.07 0.00 -1.03 0.00 0.00 54.13 53.16 3ias s LEU 266 Cb -0.39 -0.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 3ias s LEU 266 CO 0.49 0.08 -0.14 -0.83 0.23 0.00 0.00 176.35 176.17 3ias s GLY 267 N -1.72 1.71 -0.01 -3.19 0.00 0.30 -4.88 107.32 99.53 3ias s GLY 267 Ca 0.06 -1.24 -0.00 0.00 0.00 0.00 0.00 44.72 43.54 3ias s GLY 267 CO 0.04 -1.19 0.09 0.83 0.00 0.00 0.00 173.10 172.87 3ias h GLU 268 N 3.95 -0.01 -6.32 2.90 4.39 -1.85 -2.16 114.58 115.47 3ias h GLU 268 Ca -0.49 0.00 -0.65 0.00 0.34 0.00 0.00 59.36 58.56 3ias h GLU 268 Cb 1.16 0.00 -0.30 0.00 -0.10 0.00 0.00 28.75 29.52 3ias h GLU 268 CO 0.49 -0.01 -0.87 0.50 -1.16 0.00 0.00 179.01 177.96 3ias s ARG 269 N -1.26 1.90 -0.16 2.33 6.06 -1.26 -4.43 118.95 122.12 3ias s ARG 269 Ca -0.00 -0.84 -0.02 0.00 -2.50 0.00 0.00 55.73 52.38 3ias s ARG 269 Cb 0.00 -1.84 -0.03 0.00 0.06 0.00 0.00 34.95 33.14 3ias s ARG 269 CO 0.01 0.50 1.24 0.41 -2.50 0.00 0.00 175.30 174.96 3ias n GLY 270 N 2.50 1.78 0.00 8.12 0.00 -1.23 -4.76 105.19 111.60 3ias n GLY 270 Ca -0.16 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3ias n GLY 270 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ias n ASP 271 N 3.84 0.00 -0.01 1.61 5.68 -1.23 0.59 116.55 127.03 3ias n ASP 271 Ca 0.12 -0.76 -0.05 0.00 -0.50 0.00 0.00 54.79 53.59 3ias n ASP 271 Cb 0.11 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 39.96 3ias n ASP 271 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 3ias n VAL 272 N -1.26 1.39 -0.08 2.12 3.14 -1.10 -3.72 118.33 118.82 3ias n VAL 272 Ca 0.00 -0.76 -0.07 0.00 -2.96 0.00 0.00 64.34 60.55 3ias n VAL 272 Cb 0.00 -0.83 -0.00 0.00 -1.06 0.00 0.00 33.84 31.95 3ias n VAL 272 CO 0.00 0.00 0.00 0.15 -6.46 0.00 0.00 176.83 170.52 3ias h PHE 273 N 0.00 -0.11 -0.56 1.45 3.57 -1.86 -1.42 116.94 118.01 3ias h PHE 273 Ca -0.27 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.22 3ias h PHE 273 Cb 1.87 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 40.68 3ias h PHE 273 CO 0.00 -0.10 0.20 -0.44 -2.23 0.00 0.00 178.31 175.74 3ias h ASP 274 N 0.03 0.79 0.08 0.41 3.32 -1.86 -2.83 116.42 116.35 3ias h ASP 274 Ca 0.14 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 3ias h ASP 274 Cb 0.21 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3ias h ASP 274 CO -0.29 0.76 -0.09 0.03 -1.72 0.00 0.00 179.24 177.94 3ias h ARG 275 N 0.77 0.03 0.00 3.56 3.08 -1.51 0.26 114.38 120.57 3ias h ARG 275 Ca 0.18 -0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.10 3ias h ARG 275 Cb 0.24 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 3ias h ARG 275 CO -0.01 0.12 -0.62 1.98 -1.07 0.00 0.00 179.97 180.36 3ias h MET 276 N 0.03 0.00 0.04 0.04 4.05 -1.09 -3.24 114.93 114.76 3ias h MET 276 Ca 0.01 0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.30 3ias h MET 276 Cb 0.17 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.97 3ias h MET 276 CO 0.01 0.62 -0.66 -0.07 0.23 0.00 0.00 176.91 177.04 3ias h LEU 277 N 0.00 0.15 -0.60 3.39 3.38 -0.99 -3.26 115.31 117.38 3ias h LEU 277 Ca -0.01 -0.86 0.12 0.00 0.09 0.00 0.00 57.88 57.23 3ias h LEU 277 Cb 1.40 -0.05 -0.11 0.00 0.09 0.00 0.00 40.66 41.98 3ias h LEU 277 CO 0.08 1.28 -0.16 0.58 0.09 0.00 0.00 178.44 180.31 3ias h VAL 278 N -0.77 0.38 0.00 1.22 2.07 -0.67 0.29 116.25 118.78 3ias h VAL 278 Ca -0.15 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 3ias h VAL 278 Cb 1.31 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 3ias h VAL 278 CO -0.01 0.00 -0.04 0.03 0.02 0.00 0.00 177.57 177.57 3ias h ARG 279 N -0.01 0.00 0.07 1.57 3.08 -1.71 0.68 114.38 118.06 3ias h ARG 279 Ca 0.29 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 60.08 3ias h ARG 279 Cb 0.45 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 3ias h ARG 279 CO -0.63 0.04 -1.27 0.82 -1.07 0.00 0.00 179.97 177.87 3ias h ILE 280 N 0.00 1.43 0.00 2.04 2.04 -0.77 -3.27 117.51 118.98 3ias h ILE 280 Ca -0.00 -3.09 -0.06 0.00 1.00 0.00 0.00 64.86 62.71 3ias h ILE 280 Cb 0.29 2.82 -0.01 0.00 -0.74 0.00 0.00 36.82 39.18 3ias h ILE 280 CO 0.01 0.87 -0.27 0.03 0.00 0.00 0.00 178.15 178.78 3ias h ARG 281 N 0.04 0.00 -0.16 2.37 2.47 0.11 -2.88 114.38 116.34 3ias h ARG 281 Ca -0.13 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.42 3ias h ARG 281 Cb 1.92 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 30.23 3ias h ARG 281 CO 0.16 0.27 -0.61 0.93 0.56 0.00 0.00 179.97 181.29 3ias h GLU 282 N 0.00 0.53 -0.56 0.04 5.08 -0.99 -2.97 114.58 115.71 3ias h GLU 282 Ca -0.00 -0.36 -0.04 0.00 -1.00 0.00 0.00 59.36 57.96 3ias h GLU 282 Cb 0.60 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 3ias h GLU 282 CO 0.04 0.97 0.18 0.52 -1.00 0.00 0.00 179.01 179.73 3ias h MET 283 N 0.39 0.84 -0.69 2.33 2.86 -1.57 0.47 114.93 119.55 3ias h MET 283 Ca -0.01 -0.15 0.10 0.00 -2.06 0.00 0.00 59.70 57.59 3ias h MET 283 Cb 1.16 -0.14 -0.08 0.00 0.06 0.00 0.00 31.60 32.61 3ias h MET 283 CO 0.11 0.72 0.31 -0.09 1.06 0.00 0.00 176.91 179.02 3ias h ARG 284 N 0.82 0.50 0.16 1.72 9.65 -1.45 -2.26 114.38 123.51 3ias h ARG 284 Ca 0.19 -0.03 -0.23 0.00 -1.10 0.00 0.00 59.98 58.81 3ias h ARG 284 Cb 0.23 -0.11 0.02 0.00 -1.39 0.00 0.00 29.97 28.71 3ias h ARG 284 CO -0.01 0.33 -1.03 0.93 2.80 0.00 0.00 179.97 182.99 3ias h GLU 285 N 0.51 0.34 -0.50 0.20 4.39 -1.35 -3.15 114.58 115.01 3ias h GLU 285 Ca 0.35 -0.57 0.06 0.00 0.34 0.00 0.00 59.36 59.54 3ias h GLU 285 Cb 0.43 0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 29.27 3ias h GLU 285 CO -0.31 1.27 0.34 0.77 -1.16 0.00 0.00 179.01 179.92 3ias h SER 286 N -0.27 0.37 -0.26 1.42 0.02 -0.90 -1.03 113.55 112.91 3ias h SER 286 Ca -0.19 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.65 3ias h SER 286 Cb 1.76 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 64.20 3ias h SER 286 CO 0.16 0.24 -0.23 0.58 -1.14 0.00 0.00 176.83 176.44 3ias h VAL 287 N 0.43 1.27 -0.78 2.27 2.07 -1.47 -1.96 116.25 118.08 3ias h VAL 287 Ca 0.22 -1.34 -0.05 0.00 0.82 0.00 0.00 66.70 66.36 3ias h VAL 287 Cb 0.32 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 3ias h VAL 287 CO -0.06 0.44 0.31 0.11 0.02 0.00 0.00 177.57 178.40 3ias h LYS 288 N 0.65 1.17 0.04 1.57 1.57 -1.18 -1.64 116.57 118.74 3ias h LYS 288 Ca 0.09 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3ias h LYS 288 Cb 0.73 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3ias h LYS 288 CO 0.06 0.95 -0.02 0.82 -0.57 0.00 0.00 179.45 180.69 3ias h ILE 289 N 1.13 1.03 -0.61 1.86 1.08 -1.12 -0.70 117.51 120.19 3ias h ILE 289 Ca 0.26 -0.21 0.08 0.00 -0.39 0.00 0.00 64.86 64.59 3ias h ILE 289 Cb 0.22 1.18 -0.06 0.00 -3.07 0.00 0.00 36.82 35.08 3ias h ILE 289 CO -0.02 0.05 0.28 0.40 -0.69 0.00 0.00 178.15 178.18 3ias h ILE 290 N -0.14 0.86 -0.58 -0.67 1.08 -1.21 0.11 117.51 116.96 3ias h ILE 290 Ca -0.00 -0.18 -0.03 0.00 -0.39 0.00 0.00 64.86 64.26 3ias h ILE 290 Cb 0.13 0.31 -0.03 0.00 -3.07 0.00 0.00 36.82 34.16 3ias h ILE 290 CO 0.01 0.09 0.25 0.11 -0.69 0.00 0.00 178.15 177.92 3ias h LYS 291 N 0.51 0.85 -0.28 2.37 1.57 -1.09 -0.81 116.57 119.69 3ias h LYS 291 Ca 0.29 -0.14 -0.14 0.00 -1.87 0.00 0.00 60.65 58.79 3ias h LYS 291 Cb 0.29 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 3ias h LYS 291 CO -0.24 0.72 -0.35 0.37 -0.57 0.00 0.00 179.45 179.37 3ias h GLN 292 N 0.79 0.74 -0.10 3.15 4.15 -0.43 -3.06 115.11 120.33 3ias h GLN 292 Ca 0.19 -0.42 -0.17 0.00 0.77 0.00 0.00 58.65 59.03 3ias h GLN 292 Cb 0.17 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 3ias h GLN 292 CO -0.02 1.04 -0.65 0.00 -1.93 0.00 0.00 178.83 177.27 3ias h ALA 293 N 0.69 0.68 0.00 3.38 0.00 -0.80 -2.94 119.26 120.26 3ias h ALA 293 Ca 0.04 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3ias h ALA 293 Cb 0.94 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3ias h ALA 293 CO 0.08 0.73 0.04 1.25 0.00 0.00 0.00 179.25 181.36 3ias h LEU 294 N 0.29 0.00 0.03 0.00 6.46 -1.05 -2.10 115.31 118.95 3ias h LEU 294 Ca -0.01 0.00 -0.20 0.00 -0.12 0.00 0.00 57.88 57.55 3ias h LEU 294 Cb 1.20 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 41.15 3ias h LEU 294 CO 0.11 0.00 -0.78 -0.33 -0.62 0.00 0.00 178.44 176.82 3ias h GLU 295 N 0.00 0.48 -1.14 1.25 5.08 -1.45 -3.30 114.58 115.50 3ias h GLU 295 Ca 0.00 -0.55 -0.25 0.00 -1.00 0.00 0.00 59.36 57.56 3ias h GLU 295 Cb 0.08 0.17 -0.14 0.00 0.50 0.00 0.00 28.75 29.36 3ias h GLU 295 CO 0.00 1.19 0.32 2.89 -1.00 0.00 0.00 179.01 182.41 3ias n ARG 296 N -4.09 1.61 -2.80 2.33 1.85 -0.79 -4.76 116.66 110.01 3ias n ARG 296 Ca -0.11 -1.37 -0.43 0.00 -1.00 0.00 0.00 57.85 54.93 3ias n ARG 296 Cb 0.76 -1.54 0.01 0.00 -1.05 0.00 0.00 32.46 30.64 3ias n ARG 296 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 3ias n LEU 297 N -0.07 6.30 -4.84 2.89 -0.00 -1.23 -4.95 117.00 115.11 3ias n LEU 297 Ca 0.27 -4.93 -0.38 0.00 -0.00 0.00 0.00 56.01 50.98 3ias n LEU 297 Cb 0.91 -1.40 -0.06 0.00 -0.00 0.00 0.00 43.42 42.87 3ias n LEU 297 CO 0.29 1.46 0.10 -0.70 -0.00 0.00 0.00 177.39 178.54 3ias s GLU 298 N -1.11 3.90 0.89 1.96 2.12 -1.26 -5.07 118.70 120.12 3ias s GLU 298 Ca 0.35 0.39 -0.15 0.00 0.36 0.00 0.00 54.97 55.92 3ias s GLU 298 Cb 0.04 -3.20 -0.05 0.00 0.26 0.00 0.00 34.13 31.18 3ias s GLU 298 CO 0.04 0.68 0.04 -0.35 -0.54 0.00 0.00 175.26 175.14 3ias n PRO 299 N 1.76 -0.06 0.00 4.30 -0.04 -1.26 -4.64 135.00 135.05 3ias n PRO 299 Ca -0.14 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 3ias n PRO 299 Cb 0.52 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 3ias n PRO 299 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ias n GLY 300 N 2.18 -0.54 3.89 0.55 0.00 -1.26 -4.96 105.19 105.05 3ias n GLY 300 Ca 0.05 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 3ias n GLY 300 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ias s PRO 301 N -1.83 3.52 0.00 1.61 0.04 -1.26 -5.04 135.00 132.04 3ias s PRO 301 Ca 0.00 0.51 0.00 0.00 0.04 0.00 0.00 61.00 61.55 3ias s PRO 301 Cb 0.00 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.35 3ias s PRO 301 CO 0.00 -0.46 0.00 1.33 0.04 0.00 0.00 177.00 177.91 3ias n VAL 302 N -2.58 0.00 -4.07 -0.36 0.24 -1.26 -4.35 118.33 105.96 3ias n VAL 302 Ca 0.04 -0.05 -0.08 0.00 -2.04 0.00 0.00 64.34 62.21 3ias n VAL 302 Cb 0.55 0.51 -0.10 0.00 -1.47 0.00 0.00 33.84 33.33 3ias n VAL 302 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ias s ARG 303 N -1.73 0.55 -0.03 7.34 1.70 -1.26 -2.38 118.95 123.14 3ias s ARG 303 Ca 0.00 -1.07 -0.29 0.00 -0.47 0.00 0.00 55.73 53.90 3ias s ARG 303 Cb 0.00 0.15 -0.08 0.00 -0.57 0.00 0.00 34.95 34.45 3ias s ARG 303 CO 0.00 -0.09 2.04 0.34 -1.08 0.00 0.00 175.30 176.51 3ias s ASP 304 N -2.54 6.17 0.12 -2.89 -1.08 -1.15 -4.85 116.67 110.45 3ias s ASP 304 Ca 0.01 2.46 0.15 0.00 -0.52 0.00 0.00 52.55 54.66 3ias s ASP 304 Cb 0.03 -2.52 0.68 0.00 -1.46 0.00 0.00 42.92 39.64 3ias s ASP 304 CO -0.07 -1.31 1.47 -0.81 0.52 0.00 0.00 175.17 174.97 3ias n PRO 305 N 7.88 0.08 -1.43 4.34 -0.04 -1.26 -4.57 135.00 140.00 3ias n PRO 305 Ca 0.23 0.41 -0.51 0.00 -0.04 0.00 0.00 63.50 63.59 3ias n PRO 305 Cb 0.42 -1.68 -0.08 0.00 -0.04 0.00 0.00 33.50 32.13 3ias n PRO 305 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3ias n ASN 306 N -1.83 1.86 0.21 3.54 2.85 -1.26 -4.83 115.26 115.81 3ias n ASN 306 Ca 0.02 0.38 0.16 0.00 -0.11 0.00 0.00 54.58 55.03 3ias n ASN 306 Cb 0.13 -1.22 0.82 0.00 1.24 0.00 0.00 39.78 40.76 3ias n ASN 306 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3ias h PRO 307 N 12.32 0.00 0.00 1.20 0.11 -1.87 -0.85 132.00 142.91 3ias h PRO 307 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3ias h PRO 307 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3ias h PRO 307 CO 1.06 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 180.81 3ias h GLN 308 N 0.00 0.00 0.00 1.05 1.08 -1.97 -3.27 115.11 112.00 3ias h GLN 308 Ca 0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 3ias h GLN 308 Cb 0.42 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 3ias h GLN 308 CO -0.00 0.00 -0.41 -0.89 -0.95 0.00 0.00 178.83 176.58 3ias n ILE 309 N -2.63 0.00 -3.96 2.54 5.41 -0.42 -4.80 119.36 115.50 3ias n ILE 309 Ca 0.03 -0.34 -0.16 0.00 1.00 0.00 0.00 62.75 63.29 3ias n ILE 309 Cb 0.39 0.86 -0.15 0.00 -0.71 0.00 0.00 39.64 40.02 3ias n ILE 309 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 3ias s THR 310 N -1.55 0.18 0.57 1.39 2.01 -0.65 -4.77 115.64 112.82 3ias s THR 310 Ca 0.01 0.01 -0.20 0.00 0.31 0.00 0.00 61.69 61.81 3ias s THR 310 Cb 0.03 -0.22 -0.04 0.00 0.01 0.00 0.00 72.50 72.27 3ias s THR 310 CO 0.14 0.10 1.30 -2.16 -0.69 0.00 0.00 174.62 173.32 3ias s PRO 311 N 0.55 3.03 0.37 4.92 0.04 -1.26 -4.39 135.00 138.26 3ias s PRO 311 Ca -0.05 2.09 -0.28 0.00 0.04 0.00 0.00 61.00 62.80 3ias s PRO 311 Cb -0.08 -2.12 -0.11 0.00 0.04 0.00 0.00 34.50 32.23 3ias s PRO 311 CO -0.01 -1.23 1.49 -1.25 0.04 0.00 0.00 177.00 176.04 3ias s PRO 312 N -3.06 4.11 -0.49 0.56 0.04 -1.26 -4.84 135.00 130.06 3ias s PRO 312 Ca 0.74 2.57 -0.45 0.00 0.04 0.00 0.00 61.00 63.90 3ias s PRO 312 Cb -0.37 -2.97 -0.19 0.00 0.04 0.00 0.00 34.50 31.01 3ias s PRO 312 CO 0.42 -0.53 1.89 -0.35 0.04 0.00 0.00 177.00 178.48 3ias n PRO 313 N 0.50 0.09 -0.18 0.56 -0.04 -1.26 -4.74 135.00 129.93 3ias n PRO 313 Ca 0.01 0.03 0.15 0.00 -0.04 0.00 0.00 63.50 63.65 3ias n PRO 313 Cb 0.39 -1.56 0.28 0.00 -0.04 0.00 0.00 33.50 32.57 3ias n PRO 313 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3ias n ARG 314 N 5.94 -0.04 0.16 0.54 3.00 -1.26 -1.76 116.66 123.24 3ias n ARG 314 Ca 0.43 0.80 0.03 0.00 -0.00 0.00 0.00 57.85 59.10 3ias n ARG 314 Cb -0.03 -1.37 0.25 0.00 0.00 0.00 0.00 32.46 31.30 3ias n ARG 314 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.63 178.75 3ias h HIS 315 N 0.00 0.00 -0.10 -0.14 2.07 -2.03 -3.01 115.15 111.95 3ias h HIS 315 Ca 0.43 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.95 3ias h HIS 315 Cb 1.07 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.05 3ias h HIS 315 CO -0.10 0.49 0.00 1.47 -3.07 0.00 0.00 177.93 176.72 3ias n LEU 316 N -3.61 1.97 0.00 6.12 -0.00 -0.72 -3.83 117.00 116.93 3ias n LEU 316 Ca -0.00 -0.73 0.00 0.00 -0.00 0.00 0.00 56.01 55.27 3ias n LEU 316 Cb 0.57 -0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 3ias n LEU 316 CO 0.39 0.37 0.26 -0.11 -0.00 0.00 0.00 177.39 178.30 3ias n LEU 317 N 0.53 0.00 -0.92 1.47 7.94 -1.14 -0.71 117.00 124.18 3ias n LEU 317 Ca 0.17 0.05 0.08 0.00 -1.11 0.00 0.00 56.01 55.20 3ias n LEU 317 Cb 0.41 -0.05 0.24 0.00 0.53 0.00 0.00 43.42 44.55 3ias n LEU 317 CO 0.15 -0.05 0.70 -1.84 -1.11 0.00 0.00 177.39 175.24 3ias n GLU 318 N -1.02 3.07 0.19 1.96 0.28 -1.25 -4.78 120.64 119.09 3ias n GLU 318 Ca 0.00 -2.64 0.00 0.00 -0.16 0.00 0.00 57.16 54.36 3ias n GLU 318 Cb 0.00 -1.71 0.00 0.00 1.43 0.00 0.00 31.44 31.17 3ias n GLU 318 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 3ias n THR 319 N -0.04 0.00 -2.43 3.84 -1.04 0.12 -5.09 114.28 109.63 3ias n THR 319 Ca 0.19 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.78 3ias n THR 319 Cb 0.78 -0.31 -0.03 0.00 -1.82 0.00 0.00 70.33 68.95 3ias n THR 319 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3ias s SER 320 N -3.84 7.02 0.02 8.00 0.15 -0.87 -4.92 113.70 119.27 3ias s SER 320 Ca 0.00 1.84 -0.24 0.00 0.70 0.00 0.00 55.95 58.25 3ias s SER 320 Cb 0.00 -2.56 -0.17 0.00 -1.71 0.00 0.00 66.02 61.58 3ias s SER 320 CO 0.00 -0.61 1.44 -0.03 1.20 0.00 0.00 173.24 175.25 3ias h MET 321 N 7.53 0.04 -1.02 5.44 4.05 -1.96 -2.11 114.93 126.91 3ias h MET 321 Ca -0.34 -0.01 0.31 0.00 -0.28 0.00 0.00 59.70 59.38 3ias h MET 321 Cb 1.16 -0.00 -0.14 0.00 -0.80 0.00 0.00 31.60 31.82 3ias h MET 321 CO 0.89 0.34 0.59 0.93 0.23 0.00 0.00 176.91 179.90 3ias h GLU 322 N -0.26 0.35 0.24 0.39 3.07 -1.99 0.19 114.58 116.57 3ias h GLU 322 Ca 0.01 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.83 3ias h GLU 322 Cb 0.33 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 3ias h GLU 322 CO 0.00 0.23 -0.12 0.00 -1.40 0.00 0.00 179.01 177.73 3ias h ALA 323 N 1.80 -0.32 -0.91 3.43 0.00 -1.76 0.11 119.26 121.61 3ias h ALA 323 Ca 0.72 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.55 3ias h ALA 323 Cb 1.63 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 19.49 3ias h ALA 323 CO -0.56 -0.61 0.59 0.28 0.00 0.00 0.00 179.25 178.95 3ias h VAL 324 N -0.46 1.11 0.21 0.00 2.07 -0.38 0.22 116.25 119.01 3ias h VAL 324 Ca -0.03 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 3ias h VAL 324 Cb 0.35 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 3ias h VAL 324 CO 0.05 0.20 -0.10 0.40 0.02 0.00 0.00 177.57 178.15 3ias h ILE 325 N 1.11 0.88 -0.27 4.57 2.04 -0.53 0.11 117.51 125.42 3ias h ILE 325 Ca 0.38 -0.55 0.02 0.00 1.00 0.00 0.00 64.86 65.72 3ias h ILE 325 Cb 0.08 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 3ias h ILE 325 CO -0.14 0.12 0.11 1.88 0.00 0.00 0.00 178.15 180.12 3ias h TYR 326 N -0.55 0.20 -0.10 1.37 0.05 -0.51 0.81 116.97 118.24 3ias h TYR 326 Ca -0.03 0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.79 3ias h TYR 326 Cb 0.41 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 38.08 3ias h TYR 326 CO 0.01 0.10 -0.03 1.25 -1.05 0.00 0.00 178.16 178.44 3ias h HIS 327 N 0.24 -0.07 -0.94 4.88 2.76 -0.52 0.94 115.15 122.45 3ias h HIS 327 Ca 0.12 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.29 3ias h HIS 327 Cb 0.07 0.05 -0.05 0.00 1.55 0.00 0.00 27.41 29.03 3ias h HIS 327 CO -0.12 -0.05 0.56 0.35 -1.30 0.00 0.00 177.93 177.37 3ias h PHE 328 N -0.01 1.25 -0.01 5.26 3.57 -0.47 -2.61 116.94 123.92 3ias h PHE 328 Ca 0.05 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 3ias h PHE 328 Cb 0.09 -0.41 0.00 0.00 2.79 0.00 0.00 35.95 38.42 3ias h PHE 328 CO -0.15 0.84 -0.17 -0.22 -2.23 0.00 0.00 178.31 176.37 3ias h LYS 329 N 1.30 0.13 -0.87 1.11 1.63 -0.40 -3.06 116.57 116.42 3ias h LYS 329 Ca 0.34 -0.13 0.20 0.00 -0.85 0.00 0.00 60.65 60.20 3ias h LYS 329 Cb -0.04 0.03 -0.12 0.00 -0.60 0.00 0.00 32.23 31.51 3ias h LYS 329 CO -0.06 0.86 0.38 1.25 -3.45 0.00 0.00 179.45 178.43 3ias h HIS 330 N -0.55 0.64 -0.01 1.91 2.76 0.11 -0.83 115.15 119.18 3ias h HIS 330 Ca -0.02 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 3ias h HIS 330 Cb 0.91 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.73 3ias h HIS 330 CO 0.18 -0.00 -0.37 0.66 -1.30 0.00 0.00 177.93 177.10 3ias n TYR 331 N -5.02 0.00 -0.06 5.26 4.01 -1.00 -3.79 117.16 116.55 3ias n TYR 331 Ca 0.20 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.89 3ias n TYR 331 Cb 0.59 -0.12 -0.02 0.00 -0.31 0.00 0.00 39.34 39.47 3ias n TYR 331 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3ias n THR 332 N -0.77 1.17 -4.00 -0.72 -2.24 -0.36 -4.86 114.28 102.50 3ias n THR 332 Ca 0.10 0.25 -0.34 0.00 -2.27 0.00 0.00 64.05 61.79 3ias n THR 332 Cb 0.36 -2.20 -0.15 0.00 -2.10 0.00 0.00 70.33 66.24 3ias n THR 332 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3ias s GLU 333 N -2.24 3.18 0.00 -0.78 2.12 -0.94 -5.09 118.70 114.95 3ias s GLU 333 Ca -0.17 -0.73 0.00 0.00 0.36 0.00 0.00 54.97 54.43 3ias s GLU 333 Cb 0.02 -2.82 0.00 0.00 0.26 0.00 0.00 34.13 31.59 3ias s GLU 333 CO 0.25 -0.21 0.00 0.41 -0.54 0.00 0.00 175.26 175.17 3ias n GLY 334 N 4.71 -3.09 3.86 -1.50 0.00 -1.25 -4.22 105.19 103.71 3ias n GLY 334 Ca -0.19 -1.31 -0.30 0.00 0.00 0.00 0.00 46.02 44.22 3ias n GLY 334 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ias s PHE 335 N -0.68 3.05 -0.34 1.61 -0.12 -1.26 -4.80 117.98 115.44 3ias s PHE 335 Ca 0.00 0.99 0.02 0.00 -0.05 0.00 0.00 56.93 57.89 3ias s PHE 335 Cb 0.00 -3.20 0.09 0.00 -0.63 0.00 0.00 43.02 39.28 3ias s PHE 335 CO 0.00 -1.56 0.05 -1.01 -0.05 0.00 0.00 175.22 172.65 3ias s HIS 336 N -3.35 3.63 0.58 3.49 3.76 -1.26 -4.29 115.29 117.85 3ias s HIS 336 Ca 0.60 -2.72 -0.11 0.00 -0.15 0.00 0.00 55.06 52.68 3ias s HIS 336 Cb -0.12 -2.78 -0.05 0.00 1.11 0.00 0.00 32.58 30.75 3ias s HIS 336 CO 0.52 -0.93 0.98 -2.14 -0.85 0.00 0.00 174.74 172.32 3ias s PRO 337 N 1.00 3.65 1.04 8.40 0.02 -1.26 -4.93 135.00 142.91 3ias s PRO 337 Ca 0.06 0.70 -0.11 0.00 0.02 0.00 0.00 61.00 61.67 3ias s PRO 337 Cb -0.20 -2.14 0.21 0.00 0.02 0.00 0.00 34.50 32.40 3ias s PRO 337 CO -0.06 -0.46 1.08 -2.14 -0.33 0.00 0.00 177.00 175.09 3ias s PRO 338 N -4.92 0.06 0.51 5.54 0.02 -1.26 -3.55 135.00 131.39 3ias s PRO 338 Ca 0.54 1.18 -0.21 0.00 0.02 0.00 0.00 61.00 62.53 3ias s PRO 338 Cb -0.11 -1.64 -0.06 0.00 0.02 0.00 0.00 34.50 32.71 3ias s PRO 338 CO 0.49 -3.16 1.18 0.15 -0.33 0.00 0.00 177.00 175.32 3ias s LYS 339 N -4.57 3.48 0.00 5.54 1.02 -1.26 -4.28 119.74 119.68 3ias s LYS 339 Ca 0.67 1.78 0.00 0.00 0.02 0.00 0.00 55.97 58.45 3ias s LYS 339 Cb -0.24 -2.22 0.00 0.00 -0.52 0.00 0.00 37.83 34.86 3ias s LYS 339 CO 0.61 -0.79 0.00 0.41 -0.92 0.00 0.00 175.35 174.67 3ias n GLY 340 N 0.40 1.42 2.91 -3.33 0.00 -0.88 -4.97 105.19 100.74 3ias n GLY 340 Ca 0.10 -1.58 -0.25 0.00 0.00 0.00 0.00 46.02 44.28 3ias n GLY 340 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ias s GLU 341 N -1.70 1.40 0.36 1.61 2.02 -1.26 -1.42 118.70 119.70 3ias s GLU 341 Ca 0.00 -0.23 0.05 0.00 0.02 0.00 0.00 54.97 54.81 3ias s GLU 341 Cb 0.00 -1.43 -0.07 0.00 0.10 0.00 0.00 34.13 32.73 3ias s GLU 341 CO 0.00 -0.20 0.04 0.54 0.02 0.00 0.00 175.26 175.66 3ias s VAL 342 N 1.49 1.50 -0.28 2.63 0.11 -0.83 -5.00 120.40 120.01 3ias s VAL 342 Ca 0.00 -2.00 -0.25 0.00 -2.93 0.00 0.00 61.98 56.80 3ias s VAL 342 Cb -0.13 -2.87 0.12 0.00 -1.53 0.00 0.00 36.38 31.97 3ias s VAL 342 CO -0.05 -0.00 1.04 -0.47 -3.33 0.00 0.00 175.10 172.28 3ias s TYR 343 N -3.07 -0.47 -0.11 1.54 6.14 -1.26 -1.95 117.35 118.16 3ias s TYR 343 Ca 0.36 1.13 -0.05 0.00 0.64 0.00 0.00 57.07 59.15 3ias s TYR 343 Cb 0.09 0.37 0.05 0.00 0.42 0.00 0.00 41.96 42.89 3ias s TYR 343 CO 0.16 -0.23 0.25 0.14 0.64 0.00 0.00 175.55 176.52 3ias s VAL 344 N 0.20 -0.19 0.08 3.14 -7.23 -1.25 -5.03 120.40 110.11 3ias s VAL 344 Ca 0.03 0.21 -0.25 0.00 -1.81 0.00 0.00 61.98 60.16 3ias s VAL 344 Cb -0.05 -0.40 -0.06 0.00 0.56 0.00 0.00 36.38 36.43 3ias s VAL 344 CO -0.06 0.09 0.77 -2.16 -0.31 0.00 0.00 175.10 173.42 3ias s PRO 345 N 1.74 4.51 0.48 4.82 0.04 -1.26 -3.98 135.00 141.35 3ias s PRO 345 Ca -0.05 1.09 0.02 0.00 0.04 0.00 0.00 61.00 62.10 3ias s PRO 345 Cb -0.11 -3.34 -0.01 0.00 0.04 0.00 0.00 34.50 31.09 3ias s PRO 345 CO -0.08 0.35 0.06 -2.37 0.04 0.00 0.00 177.00 174.99 3ias n THR 346 N 2.51 0.00 -3.82 1.26 5.66 0.73 -4.83 114.28 115.79 3ias n THR 346 Ca -0.03 -2.42 -0.29 0.00 -3.05 0.00 0.00 64.05 58.26 3ias n THR 346 Cb 0.50 0.63 -0.16 0.00 -1.55 0.00 0.00 70.33 69.74 3ias n THR 346 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 3ias s GLU 347 N -3.75 1.04 1.03 1.09 2.12 -1.26 -1.16 118.70 117.81 3ias s GLU 347 Ca 0.08 -0.64 -0.17 0.00 0.36 0.00 0.00 54.97 54.60 3ias s GLU 347 Cb 0.00 -2.29 0.22 0.00 0.26 0.00 0.00 34.13 32.32 3ias s GLU 347 CO 0.06 -0.62 1.24 -1.54 -0.54 0.00 0.00 175.26 173.86 3ias s SER 348 N 1.68 2.52 0.50 -1.70 1.04 -0.10 -4.88 113.70 112.76 3ias s SER 348 Ca -0.03 0.44 0.34 0.00 0.48 0.00 0.00 55.95 57.18 3ias s SER 348 Cb -0.18 -0.58 1.73 0.00 0.10 0.00 0.00 66.02 67.09 3ias s SER 348 CO -0.07 -3.12 2.03 0.00 0.98 0.00 0.00 173.24 173.06 3ias h ALA 349 N -1.90 1.00 -0.46 5.32 0.00 -1.92 -1.38 119.26 119.92 3ias h ALA 349 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3ias h ALA 349 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3ias h ALA 349 CO 0.39 0.00 0.00 0.54 0.00 0.00 0.00 179.25 180.18 3ias n ARG 350 N -2.76 3.50 0.00 0.00 1.74 -1.26 -4.65 116.66 113.24 3ias n ARG 350 Ca -0.01 -2.77 0.00 0.00 -0.77 0.00 0.00 57.85 54.30 3ias n ARG 350 Cb 0.12 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 29.74 3ias n ARG 350 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ias n GLY 351 N 0.40 -0.30 3.75 -0.13 0.00 -0.52 -3.96 105.19 104.43 3ias n GLY 351 Ca 0.22 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 3ias n GLY 351 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ias s GLU 352 N 0.00 4.21 -0.05 1.61 2.12 -1.26 -0.93 118.70 124.40 3ias s GLU 352 Ca 0.00 2.42 -0.02 0.00 0.36 0.00 0.00 54.97 57.73 3ias s GLU 352 Cb 0.00 -3.06 0.04 0.00 0.26 0.00 0.00 34.13 31.37 3ias s GLU 352 CO 0.00 -0.49 0.09 -1.17 -0.54 0.00 0.00 175.26 173.15 3ias s LEU 353 N -0.74 0.45 -0.07 2.70 2.96 -0.31 -3.51 118.68 120.16 3ias s LEU 353 Ca 0.59 0.16 -0.12 0.00 -0.22 0.00 0.00 54.13 54.54 3ias s LEU 353 Cb -0.44 0.06 0.03 0.00 0.50 0.00 0.00 46.19 46.33 3ias s LEU 353 CO 0.48 -0.20 0.30 -0.83 -1.32 0.00 0.00 176.35 174.78 3ias s GLY 354 N 1.72 -0.19 -0.22 7.98 0.00 -1.23 -0.19 107.32 115.19 3ias s GLY 354 Ca -0.02 0.63 -0.08 0.00 0.00 0.00 0.00 44.72 45.25 3ias s GLY 354 CO -0.04 0.48 0.08 -0.19 0.00 0.00 0.00 173.10 173.43 3ias s TYR 355 N -0.44 3.19 -0.46 1.90 1.51 -1.26 0.34 117.35 122.13 3ias s TYR 355 Ca -0.06 -0.09 -0.11 0.00 -1.01 0.00 0.00 57.07 55.80 3ias s TYR 355 Cb -0.04 -2.17 0.10 0.00 -0.11 0.00 0.00 41.96 39.74 3ias s TYR 355 CO 0.02 -0.06 0.35 -0.47 -1.11 0.00 0.00 175.55 174.27 3ias s TYR 356 N 0.98 3.33 -0.12 2.71 5.04 -0.08 -3.79 117.35 125.41 3ias s TYR 356 Ca 0.04 -1.47 -0.04 0.00 -2.44 0.00 0.00 57.07 53.17 3ias s TYR 356 Cb -0.14 -3.29 -0.03 0.00 0.35 0.00 0.00 41.96 38.85 3ias s TYR 356 CO 0.03 -0.91 0.01 0.42 -1.34 0.00 0.00 175.55 173.76 3ias s ILE 357 N 1.48 4.36 -0.35 3.14 1.01 -0.83 -2.02 121.20 127.98 3ias s ILE 357 Ca 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 60.65 60.46 3ias s ILE 357 Cb -0.25 -2.88 0.08 0.00 0.01 0.00 0.00 42.46 39.42 3ias s ILE 357 CO 0.02 0.55 0.09 -0.69 0.00 0.00 0.00 174.94 174.91 3ias s VAL 358 N -0.33 3.06 -0.06 2.92 1.01 0.16 -1.97 120.40 125.18 3ias s VAL 358 Ca 0.07 -1.75 -0.18 0.00 0.00 0.00 0.00 61.98 60.12 3ias s VAL 358 Cb -0.12 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 3ias s VAL 358 CO 0.02 -0.39 0.50 -0.55 0.00 0.00 0.00 175.10 174.68 3ias s SER 359 N 1.46 6.80 -0.18 3.32 0.15 -0.51 -0.03 113.70 124.71 3ias s SER 359 Ca 0.02 0.95 0.16 0.00 0.70 0.00 0.00 55.95 57.78 3ias s SER 359 Cb -0.21 -2.30 0.62 0.00 -1.71 0.00 0.00 66.02 62.42 3ias s SER 359 CO -0.03 0.09 1.53 -0.90 1.20 0.00 0.00 173.24 175.13 3ias n ASP 360 N 3.04 4.46 -0.71 5.45 5.75 -1.26 -2.08 116.55 131.20 3ias n ASP 360 Ca -0.08 -2.85 -0.07 0.00 -0.01 0.00 0.00 54.79 51.77 3ias n ASP 360 Cb 0.52 -0.57 -0.01 0.00 -1.03 0.00 0.00 41.12 40.03 3ias n ASP 360 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ias n GLY 361 N 0.08 0.42 2.73 6.12 0.00 -1.23 -4.83 105.19 108.47 3ias n GLY 361 Ca 0.23 -0.64 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 3ias n GLY 361 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ias n GLY 362 N -1.45 2.18 0.23 -0.02 0.00 -1.26 -4.79 105.19 100.08 3ias n GLY 362 Ca -0.08 -2.21 0.12 0.00 0.00 0.00 0.00 46.02 43.85 3ias n GLY 362 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3ias h SER 363 N 0.17 0.00 -3.72 1.61 0.87 -1.87 -3.37 113.55 107.24 3ias h SER 363 Ca -0.20 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.79 3ias h SER 363 Cb 0.88 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 62.65 3ias h SER 363 CO 0.30 0.08 -0.81 -0.04 -0.53 0.00 0.00 176.83 175.83 3ias s MET 364 N -3.34 1.28 0.58 2.24 -1.94 -1.26 -3.48 119.30 113.39 3ias s MET 364 Ca 0.05 -1.35 -0.20 0.00 -1.71 0.00 0.00 55.69 52.48 3ias s MET 364 Cb 0.07 -1.48 -0.03 0.00 2.01 0.00 0.00 34.83 35.39 3ias s MET 364 CO 0.64 0.32 1.31 -1.25 -0.01 0.00 0.00 175.02 176.04 3ias s PRO 365 N -2.44 2.93 -0.02 2.03 0.04 -1.26 -4.65 135.00 131.62 3ias s PRO 365 Ca 0.13 2.12 -0.05 0.00 0.04 0.00 0.00 61.00 63.24 3ias s PRO 365 Cb -0.08 -2.08 -0.28 0.00 0.04 0.00 0.00 34.50 32.10 3ias s PRO 365 CO 0.06 -1.32 0.75 -0.92 0.04 0.00 0.00 177.00 175.61 3ias h TYR 366 N 1.09 0.53 -2.65 0.56 3.20 -0.78 -3.41 116.97 115.50 3ias h TYR 366 Ca -0.51 -0.39 -0.11 0.00 3.14 0.00 0.00 58.73 60.87 3ias h TYR 366 Cb 1.31 -0.02 -0.23 0.00 1.54 0.00 0.00 36.73 39.33 3ias h TYR 366 CO 0.45 1.50 -0.17 0.50 -1.64 0.00 0.00 178.16 178.79 3ias s ARG 367 N -2.60 0.58 -0.11 1.82 3.52 -0.83 -4.93 118.95 116.40 3ias s ARG 367 Ca -0.12 0.50 -0.00 0.00 -0.13 0.00 0.00 55.73 55.98 3ias s ARG 367 Cb 0.06 0.28 0.02 0.00 -1.56 0.00 0.00 34.95 33.76 3ias s ARG 367 CO 0.85 -0.10 -0.07 0.08 -0.81 0.00 0.00 175.30 175.25 3ias s VAL 368 N -0.06 0.99 0.01 7.11 1.01 -1.26 0.36 120.40 128.56 3ias s VAL 368 Ca -0.02 -0.27 0.06 0.00 0.00 0.00 0.00 61.98 61.75 3ias s VAL 368 Cb -0.03 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 3ias s VAL 368 CO 0.02 0.36 -0.18 -0.75 0.00 0.00 0.00 175.10 174.55 3ias s LYS 369 N 1.66 2.19 -0.14 2.72 2.36 -0.86 -4.63 119.74 123.04 3ias s LYS 369 Ca 0.04 -0.90 -0.00 0.00 -2.55 0.00 0.00 55.97 52.55 3ias s LYS 369 Cb -0.13 -2.22 -0.01 0.00 -1.05 0.00 0.00 37.83 34.42 3ias s LYS 369 CO -0.07 0.56 -0.13 0.08 1.55 0.00 0.00 175.35 177.34 3ias s VAL 370 N -0.84 2.95 -0.88 4.02 1.01 -1.26 -0.91 120.40 124.50 3ias s VAL 370 Ca 0.13 -0.69 -0.25 0.00 0.00 0.00 0.00 61.98 61.18 3ias s VAL 370 Cb -0.10 -2.25 0.04 0.00 0.00 0.00 0.00 36.38 34.06 3ias s VAL 370 CO 0.03 0.52 1.40 -0.60 0.00 0.00 0.00 175.10 176.45 3ias s ARG 371 N 0.53 3.35 -0.49 2.72 3.52 0.15 -4.96 118.95 123.78 3ias s ARG 371 Ca -0.09 -0.65 -0.27 0.00 -0.13 0.00 0.00 55.73 54.59 3ias s ARG 371 Cb -0.16 -4.79 0.03 0.00 -1.56 0.00 0.00 34.95 28.47 3ias s ARG 371 CO 0.04 -2.23 1.06 0.00 -0.81 0.00 0.00 175.30 173.36 3ias s ALA 372 N 5.59 3.16 0.25 6.12 0.00 -1.26 -3.50 121.76 132.12 3ias s ALA 372 Ca 0.42 -0.66 -0.05 0.00 0.00 0.00 0.00 51.96 51.67 3ias s ALA 372 Cb -0.04 -3.82 0.31 0.00 0.00 0.00 0.00 23.12 19.57 3ias s ALA 372 CO 0.02 -2.25 1.89 -1.00 0.00 0.00 0.00 175.76 174.43 3ias h PRO 373 N 9.22 1.15 0.00 0.00 0.13 -1.83 -1.25 132.00 139.43 3ias h PRO 373 Ca -0.24 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3ias h PRO 373 Cb 1.07 -0.26 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3ias h PRO 373 CO 1.10 0.76 0.00 0.43 -0.23 0.00 0.00 178.00 180.06 3ias n SER 374 N -4.49 0.00 -0.05 1.44 7.64 -1.26 -1.09 113.62 115.82 3ias n SER 374 Ca 0.13 -0.09 -0.22 0.00 1.01 0.00 0.00 58.87 59.70 3ias n SER 374 Cb 0.10 -0.25 -0.13 0.00 -1.01 0.00 0.00 64.21 62.92 3ias n SER 374 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 3ias h PHE 375 N 0.00 0.25 0.00 1.43 3.57 -1.50 -3.26 116.94 117.44 3ias h PHE 375 Ca 0.00 -0.18 -0.19 0.00 3.53 0.00 0.00 57.97 61.12 3ias h PHE 375 Cb 0.17 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 3ias h PHE 375 CO 0.00 1.63 -0.91 -0.39 -2.23 0.00 0.00 178.31 176.41 3ias h VAL 376 N -0.47 1.64 -0.65 1.41 -1.51 -1.49 -3.20 116.25 111.98 3ias h VAL 376 Ca -0.38 -3.07 0.07 0.00 -1.23 0.00 0.00 66.70 62.10 3ias h VAL 376 Cb 1.66 2.67 -0.04 0.00 -2.13 0.00 0.00 31.29 33.45 3ias h VAL 376 CO -0.06 0.88 0.43 0.78 -1.23 0.00 0.00 177.57 178.37 3ias h ASN 377 N 0.01 0.53 0.47 4.19 4.21 -1.27 -2.44 115.58 121.28 3ias h ASN 377 Ca -0.02 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.50 3ias h ASN 377 Cb 1.60 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 38.70 3ias h ASN 377 CO 0.12 0.34 0.00 -0.11 -1.29 0.00 0.00 177.43 176.49 3ias n LEU 378 N -4.48 0.00 0.18 1.61 7.94 -1.21 -2.04 117.00 119.00 3ias n LEU 378 Ca 0.10 0.38 0.08 0.00 -1.11 0.00 0.00 56.01 55.45 3ias n LEU 378 Cb 0.27 -0.38 0.12 0.00 0.53 0.00 0.00 43.42 43.97 3ias n LEU 378 CO 0.34 -0.14 0.65 1.56 -1.11 0.00 0.00 177.39 178.69 3ias h GLN 379 N 0.00 0.00 -1.91 1.96 4.20 -1.60 -3.26 115.11 114.50 3ias h GLN 379 Ca 0.00 0.00 -0.40 0.00 0.06 0.00 0.00 58.65 58.31 3ias h GLN 379 Cb 0.23 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 27.87 3ias h GLN 379 CO 0.00 0.24 0.25 0.43 -0.67 0.00 0.00 178.83 179.08 3ias n SER 380 N -3.17 6.22 0.00 1.46 7.64 -0.87 -4.10 113.62 120.80 3ias n SER 380 Ca 0.03 -3.03 0.00 0.00 1.01 0.00 0.00 58.87 56.88 3ias n SER 380 Cb 0.62 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 3ias n SER 380 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3ias n LEU 381 N 1.08 1.63 -0.07 -3.43 7.94 -1.23 -3.83 117.00 119.09 3ias n LEU 381 Ca 0.43 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 55.26 3ias n LEU 381 Cb 0.62 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.56 3ias n LEU 381 CO 0.29 0.24 0.75 -0.65 -1.11 0.00 0.00 177.39 176.91 3ias h PRO 382 N 0.00 -0.11 0.01 1.96 0.11 -1.76 -2.24 132.00 129.97 3ias h PRO 382 Ca 0.00 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 3ias h PRO 382 Cb 0.73 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3ias h PRO 382 CO 0.00 -0.08 -0.01 -0.92 -0.21 0.00 0.00 178.00 176.79 3ias h TYR 383 N -0.12 -0.02 -0.50 0.65 5.03 -1.85 -3.07 116.97 117.10 3ias h TYR 383 Ca 0.15 -0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.51 3ias h TYR 383 Cb 0.35 0.00 -0.06 0.00 1.55 0.00 0.00 36.73 38.57 3ias h TYR 383 CO -0.34 0.04 -0.30 0.00 -1.32 0.00 0.00 178.16 176.24 3ias n ALA 384 N -2.12 -0.32 -1.91 1.82 0.00 -0.87 -0.91 120.51 116.20 3ias n ALA 384 Ca -0.07 0.43 -0.33 0.00 0.00 0.00 0.00 53.44 53.46 3ias n ALA 384 Cb 0.06 0.01 0.04 0.00 0.00 0.00 0.00 19.45 19.56 3ias n ALA 384 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ias s LYS 386 N -3.82 4.28 -1.14 0.00 2.47 -0.08 -3.62 119.74 117.82 3ias s LYS 386 Ca 0.54 1.85 0.00 0.00 -1.56 0.00 0.00 55.97 56.80 3ias s LYS 386 Cb 0.44 -3.65 0.00 0.00 -1.46 0.00 0.00 37.83 33.17 3ias s LYS 386 CO -0.20 -0.59 0.00 0.41 0.16 0.00 0.00 175.35 175.13 3ias n GLY 387 N 3.61 1.03 2.88 5.54 0.00 0.74 -4.91 105.19 114.07 3ias n GLY 387 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 3ias n GLY 387 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ias n GLU 388 N -0.86 -0.85 -1.12 1.61 -0.58 -1.24 -4.09 120.64 113.51 3ias n GLU 388 Ca -0.11 -1.59 -0.29 0.00 -0.42 0.00 0.00 57.16 54.75 3ias n GLU 388 Cb 0.56 -0.96 0.21 0.00 -0.57 0.00 0.00 31.44 30.68 3ias n GLU 388 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3ias s GLN 389 N -5.08 -0.41 -0.23 3.49 2.00 -1.26 -2.94 119.66 115.22 3ias s GLN 389 Ca 0.55 0.22 0.02 0.00 -2.00 0.00 0.00 55.36 54.16 3ias s GLN 389 Cb -0.02 -1.67 -0.19 0.00 0.80 0.00 0.00 33.01 31.94 3ias s GLN 389 CO 0.39 -3.23 -0.11 0.28 -0.50 0.00 0.00 175.29 172.12 3ias n VAL 390 N -4.47 1.52 0.20 1.34 0.31 -1.26 -4.18 118.33 111.79 3ias n VAL 390 Ca 0.09 -0.61 0.04 0.00 -0.01 0.00 0.00 64.34 63.85 3ias n VAL 390 Cb 0.58 -1.38 0.18 0.00 -0.91 0.00 0.00 33.84 32.32 3ias n VAL 390 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3ias n PRO 391 N -3.25 0.02 0.07 5.55 -0.02 -1.26 -0.75 135.00 135.36 3ias n PRO 391 Ca -0.43 0.43 0.12 0.00 -2.02 0.00 0.00 63.50 61.60 3ias n PRO 391 Cb 1.01 -1.56 0.19 0.00 -0.02 0.00 0.00 33.50 33.12 3ias n PRO 391 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3ias h ASP 392 N 0.00 0.00 0.31 2.55 3.32 -1.97 -3.38 116.42 117.25 3ias h ASP 392 Ca 0.00 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.87 3ias h ASP 392 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3ias h ASP 392 CO 0.00 0.09 0.00 0.80 -1.72 0.00 0.00 179.24 178.41 3ias n MET 393 N -2.16 0.49 -0.04 3.56 1.56 0.07 -2.04 117.12 118.56 3ias n MET 393 Ca 0.03 0.04 -0.00 0.00 -0.27 0.00 0.00 57.70 57.50 3ias n MET 393 Cb 0.44 -1.50 -0.00 0.00 2.15 0.00 0.00 33.22 34.31 3ias n MET 393 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 3ias h VAL 394 N 0.00 0.00 0.00 1.12 2.07 -1.75 -3.29 116.25 114.40 3ias h VAL 394 Ca 0.00 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.82 3ias h VAL 394 Cb 0.15 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 3ias h VAL 394 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 3ias n ALA 395 N -2.61 1.49 0.07 1.67 0.00 -1.21 -1.74 120.51 118.17 3ias n ALA 395 Ca -0.01 -0.03 -0.12 0.00 0.00 0.00 0.00 53.44 53.28 3ias n ALA 395 Cb 0.02 -1.12 -0.13 0.00 0.00 0.00 0.00 19.45 18.21 3ias n ALA 395 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3ias h ILE 396 N 0.00 1.43 0.12 0.00 6.09 -1.53 -3.04 117.51 120.58 3ias h ILE 396 Ca 0.00 -3.09 -0.28 0.00 -1.37 0.00 0.00 64.86 60.12 3ias h ILE 396 Cb 0.09 2.82 -0.00 0.00 0.47 0.00 0.00 36.82 40.19 3ias h ILE 396 CO 0.00 0.86 -1.40 0.40 -3.07 0.00 0.00 178.15 174.94 3ias h ILE 397 N 0.04 1.05 0.00 2.19 2.04 -1.40 -3.33 117.51 118.10 3ias h ILE 397 Ca -0.13 -2.42 0.00 0.00 1.00 0.00 0.00 64.86 63.31 3ias h ILE 397 Cb 1.92 2.75 0.00 0.00 -0.74 0.00 0.00 36.82 40.74 3ias h ILE 397 CO 0.16 0.71 0.00 0.00 0.00 0.00 0.00 178.15 179.02 3ias h ALA 398 N -0.03 1.00 -0.01 1.87 0.00 -1.50 0.03 119.26 120.63 3ias h ALA 398 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3ias h ALA 398 Cb 1.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.57 3ias h ALA 398 CO 0.07 0.00 -0.28 -1.13 0.00 0.00 0.00 179.25 177.92 3ias n SER 399 N -2.57 0.81 0.09 0.00 3.41 -1.15 -2.92 113.62 111.30 3ias n SER 399 Ca -0.01 -0.68 0.08 0.00 -0.26 0.00 0.00 58.87 57.99 3ias n SER 399 Cb 0.08 0.11 -0.01 0.00 -0.26 0.00 0.00 64.21 64.13 3ias n SER 399 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3ias h LEU 400 N 0.84 0.00 -2.89 1.04 3.38 -1.12 -3.46 115.31 113.11 3ias h LEU 400 Ca 0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 3ias h LEU 400 Cb 0.48 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.34 3ias h LEU 400 CO 0.00 0.18 -0.79 -0.67 0.09 0.00 0.00 178.44 177.26 3ias n ASP 401 N -2.78 -6.10 -4.80 -0.43 2.03 -1.15 -4.95 116.55 98.37 3ias n ASP 401 Ca -0.02 -0.78 -0.38 0.00 0.52 0.00 0.00 54.79 54.13 3ias n ASP 401 Cb 0.64 -4.14 -0.06 0.00 -0.72 0.00 0.00 41.12 36.84 3ias n ASP 401 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3ias s PRO 402 N -4.97 4.36 -0.18 -0.67 0.04 -1.26 -4.91 135.00 127.41 3ias s PRO 402 Ca 0.37 0.94 -0.04 0.00 0.04 0.00 0.00 61.00 62.31 3ias s PRO 402 Cb -0.10 -3.12 -0.02 0.00 0.04 0.00 0.00 34.50 31.30 3ias s PRO 402 CO 0.81 0.53 -0.02 0.08 0.04 0.00 0.00 177.00 178.44 3ias s VAL 403 N -1.28 3.91 0.39 -0.36 1.01 -1.26 -5.03 120.40 117.78 3ias s VAL 403 Ca 0.37 -0.34 0.11 0.00 0.00 0.00 0.00 61.98 62.12 3ias s VAL 403 Cb -0.20 -2.75 0.13 0.00 0.00 0.00 0.00 36.38 33.56 3ias s VAL 403 CO 0.23 0.45 1.88 0.24 0.00 0.00 0.00 175.10 177.90 3ias h MET 404 N 7.21 0.10 0.00 2.72 2.86 -1.97 0.00 114.93 125.86 3ias h MET 404 Ca -0.34 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.27 3ias h MET 404 Cb 1.18 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.83 3ias h MET 404 CO 0.62 0.36 0.00 0.78 1.06 0.00 0.00 176.91 179.72 3ias h GLY 405 N 0.88 0.00 0.00 8.32 0.00 -1.90 -0.37 103.07 110.00 3ias h GLY 405 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3ias h GLY 405 CO 0.04 0.00 -0.24 -1.80 0.00 0.00 0.00 176.54 174.53 3ias h ASP 406 N 0.00 0.00 -0.09 0.19 1.82 -0.60 -2.71 116.42 115.03 3ias h ASP 406 Ca 0.00 0.00 0.04 0.00 -0.39 0.00 0.00 57.03 56.68 3ias h ASP 406 Cb 0.35 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.32 3ias h ASP 406 CO 0.00 0.57 -0.15 1.62 -1.61 0.00 0.00 179.24 179.67 3ias h VAL 407 N -0.90 0.60 0.38 2.25 3.04 -1.41 -3.32 116.25 116.88 3ias h VAL 407 Ca 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.67 3ias h VAL 407 Cb 0.24 0.60 0.00 0.00 -2.01 0.00 0.00 31.29 30.13 3ias h VAL 407 CO 0.00 0.00 -0.18 0.44 -1.01 0.00 0.00 177.57 176.82 3ias h ASP 408 N -0.21 -0.43 0.00 3.17 3.32 -1.26 -3.44 116.42 117.57 3ias h ASP 408 Ca 0.08 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3ias h ASP 408 Cb 0.32 0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.99 3ias h ASP 408 CO -0.22 -0.10 0.00 -2.11 -1.72 0.00 0.00 179.24 175.09