#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3inh h PHE 61 N 0.00 0.00 -0.86 7.33 0.04 -1.99 -3.13 116.94 118.33 3inh h PHE 61 Ca 0.00 0.00 0.12 0.00 2.80 0.00 0.00 57.97 60.89 3inh h PHE 61 Cb 0.00 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.09 3inh h PHE 61 CO 0.00 0.10 0.56 -0.39 -0.60 0.00 0.00 178.31 177.98 3inh h VAL 62 N 0.00 0.89 0.00 -0.55 -1.51 -2.01 0.10 116.25 113.17 3inh h VAL 62 Ca -0.00 -0.25 0.00 0.00 -1.23 0.00 0.00 66.70 65.22 3inh h VAL 62 Cb 0.68 0.09 0.00 0.00 -2.13 0.00 0.00 31.29 29.93 3inh h VAL 62 CO 0.01 0.13 0.00 -0.62 -1.23 0.00 0.00 177.57 175.87 3inh n GLU 63 N -4.54 0.06 0.02 5.19 1.02 -1.18 -2.84 120.64 118.36 3inh n GLU 63 Ca 0.16 0.14 0.11 0.00 -0.02 0.00 0.00 57.16 57.55 3inh n GLU 63 Cb 0.40 -1.58 -0.01 0.00 -0.02 0.00 0.00 31.44 30.23 3inh n GLU 63 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3inh n MET 64 N -1.68 0.31 -1.93 3.49 2.81 0.33 -4.73 117.12 115.73 3inh n MET 64 Ca 0.05 -0.02 -0.41 0.00 -1.81 0.00 0.00 57.70 55.51 3inh n MET 64 Cb 0.30 -1.58 -0.02 0.00 -0.71 0.00 0.00 33.22 31.20 3inh n MET 64 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3inh s VAL 65 N -3.22 2.42 -1.31 2.03 1.01 -1.04 -2.60 120.40 117.70 3inh s VAL 65 Ca 0.03 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.38 3inh s VAL 65 Cb 0.14 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.29 3inh s VAL 65 CO 0.82 0.07 0.00 -0.67 0.00 0.00 0.00 175.10 175.31 3inh n ASP 66 N 1.92 -4.57 -0.36 3.32 2.03 -1.20 -4.90 116.55 112.79 3inh n ASP 66 Ca 0.06 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.49 3inh n ASP 66 Cb 0.39 -3.69 0.51 0.00 -0.72 0.00 0.00 41.12 37.61 3inh n ASP 66 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3inh n ASN 67 N -0.86 1.08 -4.60 1.67 6.94 -1.07 -4.83 115.26 113.59 3inh n ASN 67 Ca -0.18 -1.52 -0.33 0.00 -0.02 0.00 0.00 54.58 52.54 3inh n ASN 67 Cb 0.63 -0.05 -0.11 0.00 -2.36 0.00 0.00 39.78 37.90 3inh n ASN 67 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3inh s LEU 68 N -1.72 3.21 0.15 -4.53 1.02 -0.53 -4.32 118.68 111.95 3inh s LEU 68 Ca 0.34 -0.08 -0.04 0.00 0.02 0.00 0.00 54.13 54.37 3inh s LEU 68 Cb 0.18 -1.79 -0.03 0.00 0.02 0.00 0.00 46.19 44.57 3inh s LEU 68 CO 0.28 0.31 0.15 -0.13 0.02 0.00 0.00 176.35 176.99 3inh s ARG 69 N -1.21 1.04 0.00 1.70 1.81 -0.72 -2.44 118.95 119.13 3inh s ARG 69 Ca 0.16 -1.35 0.00 0.00 -1.72 0.00 0.00 55.73 52.82 3inh s ARG 69 Cb -0.11 0.30 0.00 0.00 -0.45 0.00 0.00 34.95 34.69 3inh s ARG 69 CO 0.05 -0.33 0.00 0.41 -0.68 0.00 0.00 175.30 174.75 3inh n GLY 70 N -0.15 -1.03 3.52 -3.53 0.00 -0.94 0.15 105.19 103.20 3inh n GLY 70 Ca -0.06 -1.06 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 3inh n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3inh s LYS 71 N -2.00 2.80 -0.15 1.61 -0.14 -1.25 -0.81 119.74 119.80 3inh s LYS 71 Ca 0.00 -0.61 -0.38 0.00 -1.36 0.00 0.00 55.97 53.62 3inh s LYS 71 Cb 0.00 -2.55 -0.15 0.00 -1.68 0.00 0.00 37.83 33.45 3inh s LYS 71 CO 0.00 0.57 1.67 0.45 -0.76 0.00 0.00 175.35 177.28 3inh n SER 72 N 2.48 2.41 0.00 2.83 2.88 0.29 -0.44 113.62 124.06 3inh n SER 72 Ca -0.18 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.43 3inh n SER 72 Cb 0.53 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 3inh n SER 72 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3inh n GLY 73 N 3.82 1.01 0.09 0.46 0.00 -1.26 -4.87 105.19 104.44 3inh n GLY 73 Ca 0.24 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.27 3inh n GLY 73 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3inh n GLN 74 N -2.00 1.79 0.00 1.61 6.02 0.41 -4.90 117.38 120.31 3inh n GLN 74 Ca 0.00 -1.27 0.00 0.00 -0.01 0.00 0.00 57.00 55.72 3inh n GLN 74 Cb 0.00 -1.04 0.00 0.00 1.02 0.00 0.00 30.24 30.22 3inh n GLN 74 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3inh n GLY 75 N -0.21 0.32 3.83 1.08 0.00 -1.23 -4.80 105.19 104.17 3inh n GLY 75 Ca 0.01 -1.74 -0.36 0.00 0.00 0.00 0.00 46.02 43.93 3inh n GLY 75 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3inh s TYR 76 N -2.88 3.55 0.16 1.61 1.51 -1.26 -3.85 117.35 116.19 3inh s TYR 76 Ca 0.00 0.51 0.09 0.00 -1.01 0.00 0.00 57.07 56.66 3inh s TYR 76 Cb 0.00 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 3inh s TYR 76 CO 0.00 0.58 -0.19 1.52 -1.11 0.00 0.00 175.55 176.35 3inh s TYR 77 N -0.55 1.87 0.08 2.71 1.13 0.12 -0.75 117.35 121.95 3inh s TYR 77 Ca 0.14 -0.45 0.10 0.00 -1.41 0.00 0.00 57.07 55.44 3inh s TYR 77 Cb -0.12 -0.94 -0.03 0.00 -1.10 0.00 0.00 41.96 39.77 3inh s TYR 77 CO 0.03 0.34 -0.26 0.54 -2.51 0.00 0.00 175.55 173.69 3inh s VAL 78 N -1.95 2.13 0.16 -3.49 0.11 0.24 -1.76 120.40 115.84 3inh s VAL 78 Ca 0.16 -1.51 -0.30 0.00 -2.93 0.00 0.00 61.98 57.40 3inh s VAL 78 Cb -0.06 -1.85 -0.07 0.00 -1.53 0.00 0.00 36.38 32.86 3inh s VAL 78 CO 0.07 0.24 1.15 -0.70 -3.33 0.00 0.00 175.10 172.53 3inh s GLU 79 N -1.54 4.53 0.09 1.54 2.12 -1.26 -0.87 118.70 123.30 3inh s GLU 79 Ca 0.12 1.78 0.01 0.00 0.36 0.00 0.00 54.97 57.24 3inh s GLU 79 Cb -0.10 -3.28 -0.04 0.00 0.26 0.00 0.00 34.13 30.97 3inh s GLU 79 CO 0.03 -0.04 -0.06 -1.64 -0.54 0.00 0.00 175.26 173.01 3inh s MET 80 N -0.07 0.79 0.08 4.30 -1.94 -0.09 -4.06 119.30 118.31 3inh s MET 80 Ca 0.52 -1.31 0.10 0.00 -1.71 0.00 0.00 55.69 53.29 3inh s MET 80 Cb -0.30 -0.12 -0.03 0.00 2.01 0.00 0.00 34.83 36.38 3inh s MET 80 CO 0.35 -0.04 -0.26 0.95 -0.01 0.00 0.00 175.02 176.01 3inh s THR 81 N -3.69 2.26 -0.01 2.05 -4.23 -0.19 -1.09 115.64 110.74 3inh s THR 81 Ca 0.11 -1.52 0.02 0.00 -1.18 0.00 0.00 61.69 59.13 3inh s THR 81 Cb 0.06 -1.94 -0.00 0.00 1.34 0.00 0.00 72.50 71.96 3inh s THR 81 CO -0.06 0.25 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.50 3inh s VAL 82 N -0.92 0.69 0.00 2.29 1.01 -0.44 -1.48 120.40 121.55 3inh s VAL 82 Ca 0.13 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.76 3inh s VAL 82 Cb -0.10 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.68 3inh s VAL 82 CO 0.04 0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.96 3inh n GLY 83 N 3.07 -2.56 2.74 4.51 0.00 0.03 -1.07 105.19 111.91 3inh n GLY 83 Ca -0.16 -1.62 -0.22 0.00 0.00 0.00 0.00 46.02 44.02 3inh n GLY 83 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3inh s SER 84 N -1.84 1.49 0.92 1.61 0.01 -1.26 -3.16 113.70 111.46 3inh s SER 84 Ca 0.00 -0.05 -0.11 0.00 1.31 0.00 0.00 55.95 57.10 3inh s SER 84 Cb 0.00 -0.36 0.14 0.00 0.21 0.00 0.00 66.02 66.01 3inh s SER 84 CO 0.00 -0.21 1.10 -2.84 0.41 0.00 0.00 173.24 171.70 3inh s PRO 85 N 2.03 1.06 0.14 12.44 0.02 -1.26 -0.64 135.00 148.79 3inh s PRO 85 Ca 0.05 1.18 -0.31 0.00 0.02 0.00 0.00 61.00 61.93 3inh s PRO 85 Cb -0.12 -1.76 -0.10 0.00 0.02 0.00 0.00 34.50 32.54 3inh s PRO 85 CO -0.05 -2.48 1.70 -2.14 -0.33 0.00 0.00 177.00 173.70 3inh s PRO 86 N -4.75 4.17 -0.25 5.54 0.02 -1.19 -4.89 135.00 133.64 3inh s PRO 86 Ca 0.65 2.48 -0.10 0.00 0.02 0.00 0.00 61.00 64.04 3inh s PRO 86 Cb -0.21 -3.37 -0.05 0.00 0.02 0.00 0.00 34.50 30.89 3inh s PRO 86 CO 0.58 -0.74 0.15 -0.65 -0.33 0.00 0.00 177.00 176.02 3inh s GLN 87 N 1.98 3.97 -0.03 5.54 -0.21 -0.23 -4.88 119.66 125.80 3inh s GLN 87 Ca 0.75 -0.32 -0.26 0.00 0.02 0.00 0.00 55.36 55.55 3inh s GLN 87 Cb -0.45 -3.54 -0.04 0.00 1.00 0.00 0.00 33.01 29.99 3inh s GLN 87 CO 0.33 -0.05 0.81 0.99 -2.12 0.00 0.00 175.29 175.25 3inh s THR 88 N 1.35 4.96 0.01 -0.19 2.01 -1.26 -1.33 115.64 121.20 3inh s THR 88 Ca 0.07 1.68 -0.05 0.00 0.31 0.00 0.00 61.69 63.70 3inh s THR 88 Cb -0.15 -4.15 -0.01 0.00 0.01 0.00 0.00 72.50 68.21 3inh s THR 88 CO 0.07 0.23 0.08 -0.76 -0.69 0.00 0.00 174.62 173.54 3inh s LEU 89 N 0.81 1.80 -0.16 4.42 1.43 -0.25 -4.97 118.68 121.76 3inh s LEU 89 Ca 0.43 -0.34 -0.15 0.00 -1.03 0.00 0.00 54.13 53.04 3inh s LEU 89 Cb -0.19 0.48 -0.04 0.00 0.03 0.00 0.00 46.19 46.47 3inh s LEU 89 CO 0.22 -0.36 0.33 0.20 0.23 0.00 0.00 176.35 176.97 3inh s ASN 90 N -1.49 6.47 -0.10 2.29 0.01 -1.26 -0.91 114.94 119.95 3inh s ASN 90 Ca -0.14 0.55 0.02 0.00 -0.71 0.00 0.00 52.86 52.58 3inh s ASN 90 Cb -0.08 -2.20 0.02 0.00 0.41 0.00 0.00 41.25 39.39 3inh s ASN 90 CO 0.00 0.06 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.89 3inh s ILE 91 N 0.62 1.31 0.17 0.60 -1.09 -0.05 -0.26 121.20 122.50 3inh s ILE 91 Ca 0.18 -0.53 -0.32 0.00 -2.23 0.00 0.00 60.65 57.75 3inh s ILE 91 Cb -0.14 -1.22 -0.11 0.00 -1.58 0.00 0.00 42.46 39.42 3inh s ILE 91 CO 0.05 0.40 1.69 -0.22 -1.23 0.00 0.00 174.94 175.64 3inh s LEU 92 N 1.01 4.38 -0.44 2.97 2.96 0.33 -0.59 118.68 129.30 3inh s LEU 92 Ca -0.07 2.75 -0.25 0.00 -0.22 0.00 0.00 54.13 56.34 3inh s LEU 92 Cb -0.15 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 42.98 3inh s LEU 92 CO -0.01 -0.93 0.90 -0.69 -1.32 0.00 0.00 176.35 174.30 3inh s VAL 93 N 1.56 4.52 -0.30 1.68 1.01 0.07 0.40 120.40 129.35 3inh s VAL 93 Ca 0.74 0.80 -0.00 0.00 0.00 0.00 0.00 61.98 63.53 3inh s VAL 93 Cb -0.47 -4.39 0.09 0.00 0.00 0.00 0.00 36.38 31.61 3inh s VAL 93 CO 0.33 -0.75 0.07 -0.62 0.00 0.00 0.00 175.10 174.13 3inh s ASP 94 N 2.16 4.03 0.00 3.32 2.15 -0.79 -4.28 116.67 123.26 3inh s ASP 94 Ca 0.36 -1.60 0.24 0.00 0.43 0.00 0.00 52.55 51.98 3inh s ASP 94 Cb -0.11 -0.99 1.41 0.00 -0.30 0.00 0.00 42.92 42.93 3inh s ASP 94 CO 0.24 -0.38 1.91 0.35 -0.17 0.00 0.00 175.17 177.12 3inh n THR 95 N 4.76 0.01 -0.30 1.71 -2.24 -1.26 -0.73 114.28 116.22 3inh n THR 95 Ca -0.03 -0.02 0.10 0.00 -2.27 0.00 0.00 64.05 61.83 3inh n THR 95 Cb 0.43 -0.33 0.26 0.00 -2.10 0.00 0.00 70.33 68.59 3inh n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3inh n GLY 96 N 0.90 2.59 3.62 3.38 0.00 -1.26 -4.23 105.19 110.18 3inh n GLY 96 Ca 0.18 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.45 3inh n GLY 96 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3inh s SER 97 N -1.00 0.23 0.00 1.61 1.04 -1.23 -4.99 113.70 109.36 3inh s SER 97 Ca 0.40 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.70 3inh s SER 97 Cb 0.21 0.67 0.00 0.00 0.10 0.00 0.00 66.02 67.00 3inh s SER 97 CO 0.27 -1.32 0.59 -1.20 0.98 0.00 0.00 173.24 172.56 3inh n SER 98 N -0.91 0.47 -4.85 7.02 7.64 -1.26 -0.43 113.62 121.30 3inh n SER 98 Ca -0.02 -1.23 -0.37 0.00 1.01 0.00 0.00 58.87 58.26 3inh n SER 98 Cb 0.61 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.75 3inh n SER 98 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3inh s ASN 99 N -0.23 6.21 -0.69 6.43 -0.87 -1.26 -4.49 114.94 120.05 3inh s ASN 99 Ca 0.00 0.41 -0.21 0.00 -1.57 0.00 0.00 52.86 51.49 3inh s ASN 99 Cb 0.00 -1.97 0.09 0.00 -0.02 0.00 0.00 41.25 39.35 3inh s ASN 99 CO 0.00 0.40 0.92 0.12 -2.57 0.00 0.00 177.10 175.97 3inh s PHE 100 N -1.02 2.83 -0.14 2.20 5.36 -1.26 -1.02 117.98 124.94 3inh s PHE 100 Ca 0.15 -0.80 0.03 0.00 -0.96 0.00 0.00 56.93 55.35 3inh s PHE 100 Cb -0.12 -4.22 0.01 0.00 -0.34 0.00 0.00 43.02 38.35 3inh s PHE 100 CO 0.04 -1.53 -0.22 0.00 -1.46 0.00 0.00 175.22 172.05 3inh s ALA 101 N 3.46 2.25 -0.02 11.12 0.00 -0.71 -0.90 121.76 136.96 3inh s ALA 101 Ca 0.21 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 51.13 3inh s ALA 101 Cb -0.17 -0.98 -0.00 0.00 0.00 0.00 0.00 23.12 21.97 3inh s ALA 101 CO 0.06 0.01 -0.12 0.08 0.00 0.00 0.00 175.76 175.79 3inh s VAL 102 N 0.76 0.99 0.09 0.00 1.01 -0.32 0.14 120.40 123.06 3inh s VAL 102 Ca -0.08 -0.49 -0.35 0.00 0.00 0.00 0.00 61.98 61.05 3inh s VAL 102 Cb -0.16 -0.85 -0.14 0.00 0.00 0.00 0.00 36.38 35.23 3inh s VAL 102 CO -0.01 0.29 1.59 0.61 0.00 0.00 0.00 175.10 177.58 3inh n GLY 103 N 3.09 1.04 0.57 4.51 0.00 0.06 -0.43 105.19 114.02 3inh n GLY 103 Ca -0.17 0.71 0.03 0.00 0.00 0.00 0.00 46.02 46.60 3inh n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3inh n ALA 104 N 3.85 2.23 -3.49 4.61 0.00 0.19 -0.09 120.51 127.81 3inh n ALA 104 Ca 0.19 -1.75 -0.16 0.00 0.00 0.00 0.00 53.44 51.71 3inh n ALA 104 Cb 0.26 -0.50 -0.05 0.00 0.00 0.00 0.00 19.45 19.16 3inh n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3inh s ALA 105 N -0.88 -1.72 0.31 0.00 0.00 -1.20 -4.78 121.76 113.49 3inh s ALA 105 Ca 0.15 1.10 -0.27 0.00 0.00 0.00 0.00 51.96 52.95 3inh s ALA 105 Cb 0.15 0.23 -0.14 0.00 0.00 0.00 0.00 23.12 23.36 3inh s ALA 105 CO -0.02 -0.47 0.84 -2.30 0.00 0.00 0.00 175.76 173.80 3inh n PRO 106 N 0.58 0.97 -3.68 0.00 -0.02 -1.26 -4.95 135.00 126.65 3inh n PRO 106 Ca -0.19 0.34 -0.13 0.00 -2.02 0.00 0.00 63.50 61.50 3inh n PRO 106 Cb 0.59 -1.65 -0.09 0.00 -0.02 0.00 0.00 33.50 32.33 3inh n PRO 106 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3inh s HIS 107 N -1.15 -0.63 0.56 6.00 2.46 -1.26 -5.03 115.29 116.25 3inh s HIS 107 Ca 0.61 1.52 0.31 0.00 0.47 0.00 0.00 55.06 57.97 3inh s HIS 107 Cb -0.71 0.22 1.46 0.00 -0.13 0.00 0.00 32.58 33.43 3inh s HIS 107 CO 0.59 -0.30 1.86 -1.00 -2.47 0.00 0.00 174.74 173.42 3inh h PRO 108 N 5.31 0.00 -0.02 2.88 0.13 -2.02 0.10 132.00 138.38 3inh h PRO 108 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3inh h PRO 108 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3inh h PRO 108 CO 0.15 0.00 -0.32 1.19 -0.23 0.00 0.00 178.00 178.80 3inh n PHE 109 N -4.04 0.00 -3.77 1.56 3.72 -1.26 -4.89 117.46 108.78 3inh n PHE 109 Ca 0.16 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.20 3inh n PHE 109 Cb 0.90 -0.01 -0.10 0.00 -0.94 0.00 0.00 39.48 39.33 3inh n PHE 109 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3inh s LEU 110 N -2.34 3.95 0.09 4.37 1.43 0.35 -4.67 118.68 121.86 3inh s LEU 110 Ca 0.22 0.07 0.22 0.00 -1.03 0.00 0.00 54.13 53.61 3inh s LEU 110 Cb 0.19 -2.04 -0.16 0.00 0.03 0.00 0.00 46.19 44.20 3inh s LEU 110 CO 0.49 0.08 0.77 1.41 0.23 0.00 0.00 176.35 179.33 3inh n HIS 111 N 4.15 0.50 -4.15 0.29 8.25 -1.26 -4.53 115.22 118.47 3inh n HIS 111 Ca -0.16 0.14 -0.12 0.00 -0.26 0.00 0.00 57.72 57.33 3inh n HIS 111 Cb 0.52 -0.73 -0.10 0.00 1.12 0.00 0.00 29.99 30.79 3inh n HIS 111 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3inh s ARG 112 N -3.44 0.78 0.17 -0.41 0.52 -1.26 -5.15 118.95 110.16 3inh s ARG 112 Ca -0.04 -1.20 -0.18 0.00 -0.52 0.00 0.00 55.73 53.79 3inh s ARG 112 Cb 0.12 -0.27 0.04 0.00 0.52 0.00 0.00 34.95 35.35 3inh s ARG 112 CO 0.85 0.01 0.49 1.52 0.02 0.00 0.00 175.30 178.19 3inh s TYR 113 N -3.03 -0.20 -0.16 -0.53 -0.85 -1.26 -4.92 117.35 106.40 3inh s TYR 113 Ca 0.07 -0.12 -0.29 0.00 -0.52 0.00 0.00 57.07 56.21 3inh s TYR 113 Cb 0.01 0.37 -0.02 0.00 0.38 0.00 0.00 41.96 42.70 3inh s TYR 113 CO -0.03 -0.84 1.35 -0.47 -1.52 0.00 0.00 175.55 174.04 3inh s TYR 114 N -3.84 2.65 -0.54 -3.49 5.04 0.87 -4.93 117.35 113.11 3inh s TYR 114 Ca 0.06 0.83 -0.11 0.00 -2.44 0.00 0.00 57.07 55.42 3inh s TYR 114 Cb -0.00 -3.63 0.14 0.00 0.35 0.00 0.00 41.96 38.82 3inh s TYR 114 CO -0.07 -2.13 0.44 -0.65 -1.34 0.00 0.00 175.55 171.79 3inh s GLN 115 N 3.70 2.73 0.37 4.97 -0.21 -1.26 -4.34 119.66 125.62 3inh s GLN 115 Ca 0.59 -1.90 0.08 0.00 0.02 0.00 0.00 55.36 54.15 3inh s GLN 115 Cb -0.23 -4.06 0.80 0.00 1.00 0.00 0.00 33.01 30.52 3inh s GLN 115 CO 0.18 -1.24 1.92 0.00 -2.12 0.00 0.00 175.29 174.04 3inh h ARG 116 N 8.36 0.68 0.00 2.91 3.08 -1.94 -1.54 114.38 125.93 3inh h ARG 116 Ca -0.18 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.83 3inh h ARG 116 Cb 1.07 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.96 3inh h ARG 116 CO 0.88 0.45 0.00 -0.56 -1.07 0.00 0.00 179.97 179.66 3inh h GLN 117 N 0.70 0.00 -0.00 0.04 -0.00 -2.00 -1.84 115.11 112.00 3inh h GLN 117 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.02 3inh h GLN 117 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.97 3inh h GLN 117 CO -0.14 0.00 -0.22 1.28 -0.00 0.00 0.00 178.83 179.75 3inh n LEU 118 N -2.51 0.70 -4.50 0.06 4.32 -0.58 -4.83 117.00 109.65 3inh n LEU 118 Ca 0.01 -0.09 -0.36 0.00 -0.02 0.00 0.00 56.01 55.55 3inh n LEU 118 Cb 0.23 -0.18 -0.12 0.00 -1.62 0.00 0.00 43.42 41.74 3inh n LEU 118 CO 0.21 0.14 -0.25 -0.55 -1.22 0.00 0.00 177.39 175.71 3inh s SER 119 N -2.58 5.38 0.30 -1.43 0.15 -0.69 -4.20 113.70 110.63 3inh s SER 119 Ca 0.24 -0.13 0.26 0.00 0.70 0.00 0.00 55.95 57.02 3inh s SER 119 Cb 0.19 -1.97 0.93 0.00 -1.71 0.00 0.00 66.02 63.46 3inh s SER 119 CO 0.53 -0.01 1.76 0.77 1.20 0.00 0.00 173.24 177.49 3inh h SER 120 N 8.04 0.00 -0.08 5.45 4.64 -1.17 -3.18 113.55 127.24 3inh h SER 120 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3inh h SER 120 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3inh h SER 120 CO 0.59 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.90 3inh n THR 121 N -2.44 0.15 -2.13 2.95 -2.24 -1.26 -4.98 114.28 104.32 3inh n THR 121 Ca 0.03 -0.57 -0.41 0.00 -2.27 0.00 0.00 64.05 60.83 3inh n THR 121 Cb 0.33 1.18 -0.02 0.00 -2.10 0.00 0.00 70.33 69.72 3inh n THR 121 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3inh s TYR 122 N -1.17 3.12 -0.09 4.78 5.04 -1.20 -4.56 117.35 123.25 3inh s TYR 122 Ca 0.19 1.30 0.01 0.00 -2.44 0.00 0.00 57.07 56.12 3inh s TYR 122 Cb 0.13 -3.67 0.02 0.00 0.35 0.00 0.00 41.96 38.78 3inh s TYR 122 CO 0.18 -1.98 -0.09 1.03 -1.34 0.00 0.00 175.55 173.35 3inh s ARG 123 N -1.07 1.59 0.15 4.97 0.52 -0.17 -5.00 118.95 119.94 3inh s ARG 123 Ca 0.53 -0.32 -0.30 0.00 -0.52 0.00 0.00 55.73 55.12 3inh s ARG 123 Cb -0.39 -1.51 -0.07 0.00 0.52 0.00 0.00 34.95 33.50 3inh s ARG 123 CO 0.47 -0.15 1.00 0.34 0.02 0.00 0.00 175.30 176.98 3inh s ASP 124 N 1.29 7.45 0.00 0.23 -1.08 -1.26 -0.87 116.67 122.42 3inh s ASP 124 Ca -0.03 1.91 0.25 0.00 -0.52 0.00 0.00 52.55 54.16 3inh s ASP 124 Cb -0.14 -2.60 0.63 0.00 -1.46 0.00 0.00 42.92 39.35 3inh s ASP 124 CO -0.04 -0.08 1.50 0.18 0.52 0.00 0.00 175.17 177.26 3inh n LEU 125 N 2.44 2.30 -3.93 -1.34 4.77 -0.69 -4.92 117.00 115.63 3inh n LEU 125 Ca 0.02 -0.85 -0.39 0.00 -0.03 0.00 0.00 56.01 54.76 3inh n LEU 125 Cb 0.48 -0.06 0.02 0.00 -2.33 0.00 0.00 43.42 41.53 3inh n LEU 125 CO 0.52 0.42 -0.16 0.54 -1.33 0.00 0.00 177.39 177.38 3inh n ARG 126 N 0.77 -0.69 -3.64 3.23 3.00 -1.26 -4.97 116.66 113.11 3inh n ARG 126 Ca 0.17 0.31 -0.03 0.00 -0.01 0.00 0.00 57.85 58.29 3inh n ARG 126 Cb 0.47 -2.79 -0.05 0.00 0.00 0.00 0.00 32.46 30.09 3inh n ARG 126 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 3inh s LYS 127 N -6.58 0.61 0.60 5.56 2.20 -1.26 -5.05 119.74 115.81 3inh s LYS 127 Ca 0.38 1.33 -0.02 0.00 -0.36 0.00 0.00 55.97 57.30 3inh s LYS 127 Cb -0.19 0.58 0.04 0.00 -1.51 0.00 0.00 37.83 36.74 3inh s LYS 127 CO 0.93 -0.18 0.86 0.20 -0.36 0.00 0.00 175.35 176.81 3inh s GLY 128 N 2.39 1.74 -0.08 5.54 0.00 -1.26 -0.43 107.32 115.22 3inh s GLY 128 Ca -0.07 -1.12 -0.04 0.00 0.00 0.00 0.00 44.72 43.49 3inh s GLY 128 CO -0.19 -0.80 0.18 0.54 0.00 0.00 0.00 173.10 172.83 3inh s VAL 129 N -2.93 -0.04 -0.18 1.40 0.11 -0.28 -4.82 120.40 113.65 3inh s VAL 129 Ca 0.57 0.15 0.01 0.00 -2.93 0.00 0.00 61.98 59.79 3inh s VAL 129 Cb -0.10 -0.29 0.02 0.00 -1.53 0.00 0.00 36.38 34.48 3inh s VAL 129 CO 0.41 0.06 -0.19 -0.47 -3.33 0.00 0.00 175.10 171.58 3inh s TYR 130 N 1.09 2.81 -0.46 1.54 5.04 -1.26 -1.93 117.35 124.18 3inh s TYR 130 Ca -0.08 -1.67 0.03 0.00 -2.44 0.00 0.00 57.07 52.90 3inh s TYR 130 Cb -0.10 -1.92 0.14 0.00 0.35 0.00 0.00 41.96 40.42 3inh s TYR 130 CO -0.06 -0.81 0.26 0.08 -1.34 0.00 0.00 175.55 173.68 3inh s VAL 131 N 1.28 1.56 0.29 3.14 1.01 -0.55 -5.01 120.40 122.13 3inh s VAL 131 Ca 0.04 -2.75 -0.20 0.00 0.00 0.00 0.00 61.98 59.07 3inh s VAL 131 Cb -0.13 -2.09 -0.09 0.00 0.00 0.00 0.00 36.38 34.07 3inh s VAL 131 CO -0.12 -0.91 0.81 -2.84 0.00 0.00 0.00 175.10 172.03 3inh s PRO 132 N 0.16 4.28 0.00 2.72 0.02 -1.26 -1.69 135.00 139.22 3inh s PRO 132 Ca 0.19 0.97 0.00 0.00 0.02 0.00 0.00 61.00 62.18 3inh s PRO 132 Cb -0.22 -2.69 0.00 0.00 0.02 0.00 0.00 34.50 31.61 3inh s PRO 132 CO -0.02 0.27 0.00 2.48 -0.33 0.00 0.00 177.00 179.40 3inh n TYR 133 N 0.31 -0.37 -3.71 6.54 0.18 -1.26 -5.02 117.16 113.83 3inh n TYR 133 Ca 0.01 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.69 3inh n TYR 133 Cb 0.52 0.10 -0.03 0.00 -0.38 0.00 0.00 39.34 39.54 3inh n TYR 133 CO 0.00 0.00 0.00 -1.59 -2.08 0.00 0.00 176.86 173.19 3inh s LYS 137 N -1.20 1.43 -0.06 -3.48 -2.85 -0.86 -5.24 119.74 107.48 3inh s LYS 137 Ca 0.00 -0.83 -0.23 0.00 -1.00 0.00 0.00 55.97 53.92 3inh s LYS 137 Cb 0.00 0.55 0.05 0.00 -2.06 0.00 0.00 37.83 36.36 3inh s LYS 137 CO 0.00 -0.62 0.51 1.67 0.10 0.00 0.00 175.35 177.01 3inh s TRP 138 N -3.86 -0.46 0.13 1.78 1.48 -0.68 -1.28 118.94 116.04 3inh s TRP 138 Ca 0.08 0.83 0.09 0.00 -1.06 0.00 0.00 56.10 56.05 3inh s TRP 138 Cb -0.02 0.25 -0.04 0.00 -1.16 0.00 0.00 33.47 32.51 3inh s TRP 138 CO -0.03 -0.47 -0.21 -2.00 -4.06 0.00 0.00 176.95 170.17 3inh s GLU 139 N -1.03 1.22 0.07 3.25 2.12 0.48 -1.48 118.70 123.34 3inh s GLU 139 Ca -0.10 -1.27 -0.12 0.00 0.36 0.00 0.00 54.97 53.84 3inh s GLU 139 Cb -0.03 -1.48 0.04 0.00 0.26 0.00 0.00 34.13 32.93 3inh s GLU 139 CO 0.06 0.33 0.55 0.41 -0.54 0.00 0.00 175.26 176.08 3inh n GLY 140 N 0.82 0.82 3.40 -1.50 0.00 -0.81 -1.16 105.19 106.77 3inh n GLY 140 Ca -0.17 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.51 3inh n GLY 140 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3inh s GLU 141 N -2.02 2.70 0.22 1.61 2.02 -0.71 -1.12 118.70 121.40 3inh s GLU 141 Ca 0.13 -0.75 -0.21 0.00 0.02 0.00 0.00 54.97 54.16 3inh s GLU 141 Cb -0.01 -2.38 -0.08 0.00 0.10 0.00 0.00 34.13 31.76 3inh s GLU 141 CO 0.02 0.48 0.75 -0.51 0.02 0.00 0.00 175.26 176.01 3inh s LEU 142 N -0.35 4.38 0.00 1.80 1.43 0.42 -1.25 118.68 125.11 3inh s LEU 142 Ca 0.03 1.48 -0.19 0.00 -1.03 0.00 0.00 54.13 54.43 3inh s LEU 142 Cb -0.12 -3.57 0.07 0.00 0.03 0.00 0.00 46.19 42.60 3inh s LEU 142 CO 0.02 0.05 0.90 0.61 0.23 0.00 0.00 176.35 178.17 3inh n GLY 143 N 0.85 0.73 3.22 -3.19 0.00 -0.78 -1.71 105.19 104.33 3inh n GLY 143 Ca -0.03 -1.15 -0.19 0.00 0.00 0.00 0.00 46.02 44.65 3inh n GLY 143 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3inh s THR 144 N -2.12 1.32 0.25 2.61 -4.23 -0.05 0.08 115.64 113.51 3inh s THR 144 Ca 0.20 -1.54 -0.20 0.00 -1.18 0.00 0.00 61.69 58.97 3inh s THR 144 Cb -0.03 -1.37 0.03 0.00 1.34 0.00 0.00 72.50 72.47 3inh s THR 144 CO 0.06 -0.28 0.67 -0.62 -0.54 0.00 0.00 174.62 173.90 3inh s ASP 145 N -2.10 -0.29 0.18 3.99 -1.08 -0.91 -0.99 116.67 115.47 3inh s ASP 145 Ca 0.04 -0.54 -0.30 0.00 -0.52 0.00 0.00 52.55 51.23 3inh s ASP 145 Cb -0.08 0.69 -0.08 0.00 -1.46 0.00 0.00 42.92 41.99 3inh s ASP 145 CO 0.03 -1.26 1.12 -0.76 0.52 0.00 0.00 175.17 174.82 3inh s LEU 146 N -2.90 4.48 -0.01 -1.34 1.43 -1.26 -1.34 118.68 117.74 3inh s LEU 146 Ca 0.11 2.12 0.03 0.00 -1.03 0.00 0.00 54.13 55.36 3inh s LEU 146 Cb -0.04 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.56 3inh s LEU 146 CO 0.04 -0.25 -0.11 -0.69 0.23 0.00 0.00 176.35 175.57 3inh s VAL 147 N -0.22 0.87 0.07 -1.59 1.01 0.85 -0.79 120.40 120.61 3inh s VAL 147 Ca 0.50 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.99 3inh s VAL 147 Cb -0.30 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 3inh s VAL 147 CO 0.35 0.23 -0.06 -0.44 0.00 0.00 0.00 175.10 175.19 3inh s SER 148 N -0.30 0.87 -0.32 3.32 0.01 -0.55 -1.96 113.70 114.77 3inh s SER 148 Ca 0.04 -0.87 0.04 0.00 1.31 0.00 0.00 55.95 56.47 3inh s SER 148 Cb -0.04 0.11 0.09 0.00 0.21 0.00 0.00 66.02 66.38 3inh s SER 148 CO -0.00 -0.43 0.02 -0.63 0.41 0.00 0.00 173.24 172.61 3inh s ILE 149 N -3.06 2.24 0.33 1.44 1.01 -1.26 -1.02 121.20 120.87 3inh s ILE 149 Ca 0.04 -2.20 0.10 0.00 0.00 0.00 0.00 60.65 58.59 3inh s ILE 149 Cb 0.02 -2.60 0.32 0.00 0.01 0.00 0.00 42.46 40.21 3inh s ILE 149 CO -0.05 -0.49 1.75 -0.65 0.00 0.00 0.00 174.94 175.50 3inh h PRO 150 N 7.65 0.58 -0.67 2.79 0.11 -1.90 0.66 132.00 141.22 3inh h PRO 150 Ca -0.07 -0.04 -0.44 0.00 0.11 0.00 0.00 66.00 65.57 3inh h PRO 150 Cb 1.02 -0.13 -0.27 0.00 0.11 0.00 0.00 31.00 31.74 3inh h PRO 150 CO 0.51 0.39 -0.06 0.72 -0.21 0.00 0.00 178.00 179.34 3inh n HIS 151 N -4.82 2.24 -2.03 0.65 8.25 -1.26 -4.94 115.22 113.31 3inh n HIS 151 Ca 0.26 -2.17 0.00 0.00 -0.26 0.00 0.00 57.72 55.55 3inh n HIS 151 Cb 0.72 -0.70 0.00 0.00 1.12 0.00 0.00 29.99 31.13 3inh n HIS 151 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3inh n GLY 152 N -0.94 5.17 3.74 -1.41 0.00 0.22 -4.16 105.19 107.81 3inh n GLY 152 Ca 0.45 -1.70 -0.37 0.00 0.00 0.00 0.00 46.02 44.40 3inh n GLY 152 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3inh s PRO 153 N 1.97 2.75 -1.40 1.61 0.04 -1.26 -4.88 135.00 133.83 3inh s PRO 153 Ca 0.00 2.10 -0.10 0.00 0.04 0.00 0.00 61.00 63.03 3inh s PRO 153 Cb 0.00 -1.97 0.08 0.00 0.04 0.00 0.00 34.50 32.65 3inh s PRO 153 CO 0.00 -1.46 2.25 -1.71 0.04 0.00 0.00 177.00 176.12 3inh n ASN 154 N -1.63 5.72 -4.09 6.66 5.15 -1.26 -4.63 115.26 121.18 3inh n ASN 154 Ca 0.14 -2.94 -0.09 0.00 -0.60 0.00 0.00 54.58 51.09 3inh n ASN 154 Cb 0.47 -1.53 -0.09 0.00 -0.53 0.00 0.00 39.78 38.09 3inh n ASN 154 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3inh s VAL 155 N 1.37 0.14 -0.05 3.44 -7.23 -1.26 -5.16 120.40 111.65 3inh s VAL 155 Ca 0.49 -1.77 0.03 0.00 -1.81 0.00 0.00 61.98 58.93 3inh s VAL 155 Cb 0.14 -1.79 0.00 0.00 0.56 0.00 0.00 36.38 35.29 3inh s VAL 155 CO -0.05 -0.64 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.05 3inh s THR 156 N -3.98 1.32 0.08 5.32 2.01 -1.26 -4.52 115.64 114.61 3inh s THR 156 Ca 0.16 -0.63 0.06 0.00 0.31 0.00 0.00 61.69 61.59 3inh s THR 156 Cb 0.07 -1.16 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 3inh s THR 156 CO -0.03 0.39 -0.16 0.68 -0.69 0.00 0.00 174.62 174.80 3inh s VAL 157 N 0.25 1.30 -0.37 3.82 -7.23 -0.83 -4.94 120.40 112.41 3inh s VAL 157 Ca -0.08 -1.38 -0.22 0.00 -1.81 0.00 0.00 61.98 58.49 3inh s VAL 157 Cb -0.13 -1.23 0.01 0.00 0.56 0.00 0.00 36.38 35.59 3inh s VAL 157 CO 0.03 -0.18 0.70 -0.60 -0.31 0.00 0.00 175.10 174.74 3inh s ARG 158 N -1.80 3.67 0.20 4.82 3.52 -1.26 -0.10 118.95 127.99 3inh s ARG 158 Ca 0.01 0.11 0.11 0.00 -0.13 0.00 0.00 55.73 55.83 3inh s ARG 158 Cb -0.10 -3.82 -0.04 0.00 -1.56 0.00 0.00 34.95 29.42 3inh s ARG 158 CO 0.03 -0.81 -0.23 0.00 -0.81 0.00 0.00 175.30 173.47 3inh s ALA 159 N 2.88 2.52 0.35 6.12 0.00 -0.45 -4.91 121.76 128.27 3inh s ALA 159 Ca 0.27 -1.66 -0.28 0.00 0.00 0.00 0.00 51.96 50.29 3inh s ALA 159 Cb -0.14 -0.31 -0.10 0.00 0.00 0.00 0.00 23.12 22.57 3inh s ALA 159 CO 0.16 0.40 1.34 -0.80 0.00 0.00 0.00 175.76 176.86 3inh s ASN 160 N -2.76 6.65 -0.05 0.00 0.01 -1.26 -2.14 114.94 115.40 3inh s ASN 160 Ca 0.21 2.76 0.00 0.00 -0.71 0.00 0.00 52.86 55.12 3inh s ASN 160 Cb -0.07 -2.65 0.03 0.00 0.41 0.00 0.00 41.25 38.96 3inh s ASN 160 CO 0.10 -0.63 -0.02 -0.63 -1.51 0.00 0.00 177.10 174.42 3inh s ILE 161 N -1.15 0.38 -0.51 0.60 1.01 0.11 -4.58 121.20 117.07 3inh s ILE 161 Ca 0.50 0.02 -0.20 0.00 0.00 0.00 0.00 60.65 60.97 3inh s ILE 161 Cb -0.41 -0.47 0.05 0.00 0.01 0.00 0.00 42.46 41.64 3inh s ILE 161 CO 0.55 0.22 0.69 0.00 0.00 0.00 0.00 174.94 176.39 3inh s ALA 162 N 1.31 3.34 -0.59 9.38 0.00 -0.08 -1.86 121.76 133.26 3inh s ALA 162 Ca -0.05 -1.59 -0.27 0.00 0.00 0.00 0.00 51.96 50.05 3inh s ALA 162 Cb -0.13 -3.42 0.03 0.00 0.00 0.00 0.00 23.12 19.60 3inh s ALA 162 CO -0.02 -2.06 1.13 0.00 0.00 0.00 0.00 175.76 174.81 3inh s ALA 163 N 2.90 3.02 -0.23 0.00 0.00 -0.38 -1.18 121.76 125.89 3inh s ALA 163 Ca 0.19 -1.03 -0.29 0.00 0.00 0.00 0.00 51.96 50.82 3inh s ALA 163 Cb -0.17 -3.97 -0.01 0.00 0.00 0.00 0.00 23.12 18.96 3inh s ALA 163 CO 0.14 -2.66 1.32 0.42 0.00 0.00 0.00 175.76 174.99 3inh s ILE 164 N 4.74 4.14 -0.08 0.00 1.01 0.42 -1.73 121.20 129.70 3inh s ILE 164 Ca 0.38 1.33 0.18 0.00 0.00 0.00 0.00 60.65 62.54 3inh s ILE 164 Cb -0.09 -4.03 -0.27 0.00 0.01 0.00 0.00 42.46 38.08 3inh s ILE 164 CO 0.22 -0.30 0.29 0.35 0.00 0.00 0.00 174.94 175.50 3inh n THR 165 N 5.85 0.45 -3.74 2.92 -2.24 -0.31 -0.64 114.28 116.58 3inh n THR 165 Ca 0.15 -0.55 -0.14 0.00 -2.27 0.00 0.00 64.05 61.24 3inh n THR 165 Cb 0.46 -0.15 -0.09 0.00 -2.10 0.00 0.00 70.33 68.44 3inh n THR 165 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3inh s GLU 166 N -3.00 0.63 0.12 -0.78 2.56 -1.14 -4.78 118.70 112.31 3inh s GLU 166 Ca -0.08 0.06 -0.24 0.00 0.00 0.00 0.00 54.97 54.71 3inh s GLU 166 Cb 0.10 0.29 0.07 0.00 2.00 0.00 0.00 34.13 36.58 3inh s GLU 166 CO 0.77 -0.15 0.60 -1.54 -0.56 0.00 0.00 175.26 174.38 3inh s SER 167 N -0.85 -0.57 -0.12 -1.70 1.04 -1.26 -0.39 113.70 109.85 3inh s SER 167 Ca -0.09 0.11 -0.02 0.00 0.48 0.00 0.00 55.95 56.42 3inh s SER 167 Cb -0.04 0.58 0.04 0.00 0.10 0.00 0.00 66.02 66.70 3inh s SER 167 CO 0.04 -0.90 0.03 -0.62 0.98 0.00 0.00 173.24 172.76 3inh s ASP 168 N -2.48 2.12 -1.64 7.02 2.15 -0.41 -4.82 116.67 118.62 3inh s ASP 168 Ca -0.01 -0.40 0.00 0.00 0.43 0.00 0.00 52.55 52.57 3inh s ASP 168 Cb -0.01 -0.45 0.00 0.00 -0.30 0.00 0.00 42.92 42.16 3inh s ASP 168 CO -0.09 -0.26 0.00 0.29 -0.17 0.00 0.00 175.17 174.95 3inh n LYS 169 N 5.14 -1.27 -0.07 4.34 5.02 -1.26 -2.04 118.16 128.02 3inh n LYS 169 Ca -0.07 0.97 -0.05 0.00 -2.02 0.00 0.00 58.31 57.13 3inh n LYS 169 Cb 0.49 -5.30 -0.02 0.00 -0.02 0.00 0.00 35.03 30.18 3inh n LYS 169 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3inh n PHE 170 N -3.25 0.82 -2.09 2.13 7.35 -1.26 -4.80 117.46 116.36 3inh n PHE 170 Ca -0.19 0.35 -0.32 0.00 -0.76 0.00 0.00 57.45 56.53 3inh n PHE 170 Cb 0.61 -0.73 0.00 0.00 0.35 0.00 0.00 39.48 39.71 3inh n PHE 170 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 3inh s PHE 171 N -2.29 3.15 -0.11 -5.13 0.40 -1.26 -5.06 117.98 107.69 3inh s PHE 171 Ca -0.16 1.48 0.01 0.00 -0.60 0.00 0.00 56.93 57.66 3inh s PHE 171 Cb 0.02 -2.93 -0.02 0.00 0.51 0.00 0.00 43.02 40.61 3inh s PHE 171 CO 0.24 -0.90 -0.14 0.42 0.70 0.00 0.00 175.22 175.53 3inh s ILE 172 N -2.58 2.98 0.01 0.64 1.01 -1.26 -5.05 121.20 116.94 3inh s ILE 172 Ca 0.61 -0.70 -0.30 0.00 0.00 0.00 0.00 60.65 60.26 3inh s ILE 172 Cb -0.14 -2.22 -0.08 0.00 0.01 0.00 0.00 42.46 40.03 3inh s ILE 172 CO 0.38 0.54 1.88 0.21 0.00 0.00 0.00 174.94 177.94 3inh s ASN 173 N 0.10 6.51 0.00 3.58 2.47 -1.26 -2.72 114.94 123.62 3inh s ASN 173 Ca -0.06 2.55 0.00 0.00 0.42 0.00 0.00 52.86 55.76 3inh s ASN 173 Cb -0.15 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.12 3inh s ASN 173 CO 0.05 -1.02 0.00 0.61 -3.72 0.00 0.00 177.10 173.02 3inh n GLY 174 N 4.42 0.60 0.22 1.21 0.00 -1.26 -4.91 105.19 105.47 3inh n GLY 174 Ca 0.19 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.31 3inh n GLY 174 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3inh h SER 175 N 0.00 0.00 -0.34 1.61 4.64 -1.87 -3.47 113.55 114.11 3inh h SER 175 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 3inh h SER 175 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 3inh h SER 175 CO 0.00 0.22 -0.13 -3.20 -0.87 0.00 0.00 176.83 172.84 3inh n ASN 176 N -3.32 -4.08 -4.42 4.97 5.15 -1.26 -4.55 115.26 107.75 3inh n ASN 176 Ca 0.01 0.18 -0.27 0.00 -0.60 0.00 0.00 54.58 53.89 3inh n ASN 176 Cb 0.46 -2.21 -0.12 0.00 -0.53 0.00 0.00 39.78 37.39 3inh n ASN 176 CO 0.00 0.00 0.00 -1.66 1.40 0.00 0.00 177.26 177.00 3inh s TRP 177 N -2.19 2.31 0.00 1.20 1.48 -1.26 -4.66 118.94 115.82 3inh s TRP 177 Ca 0.00 -0.36 0.00 0.00 -1.06 0.00 0.00 56.10 54.68 3inh s TRP 177 Cb 0.00 -1.17 0.00 0.00 -1.16 0.00 0.00 33.47 31.14 3inh s TRP 177 CO 0.00 0.47 0.58 0.39 -4.06 0.00 0.00 176.95 174.33 3inh n GLU 178 N 0.39 0.24 -3.83 3.25 4.71 0.65 -4.87 120.64 121.18 3inh n GLU 178 Ca -0.14 -0.72 -0.05 0.00 -0.01 0.00 0.00 57.16 56.24 3inh n GLU 178 Cb 0.55 -0.92 0.01 0.00 -1.01 0.00 0.00 31.44 30.07 3inh n GLU 178 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 3inh s GLY 179 N -0.27 0.06 -0.05 0.62 0.00 -1.17 -0.76 107.32 105.74 3inh s GLY 179 Ca 0.00 -0.32 0.03 0.00 0.00 0.00 0.00 44.72 44.43 3inh s GLY 179 CO 0.00 0.71 -0.14 -0.42 0.00 0.00 0.00 173.10 173.25 3inh s ILE 180 N -2.73 1.20 -0.68 0.90 1.01 0.12 -0.51 121.20 120.51 3inh s ILE 180 Ca 0.16 -0.56 -0.13 0.00 0.00 0.00 0.00 60.65 60.13 3inh s ILE 180 Cb -0.03 -1.06 0.18 0.00 0.01 0.00 0.00 42.46 41.55 3inh s ILE 180 CO 0.06 0.36 0.61 -0.22 0.00 0.00 0.00 174.94 175.76 3inh s LEU 181 N 0.35 6.34 -0.33 2.97 2.96 0.16 -1.73 118.68 129.40 3inh s LEU 181 Ca -0.09 -2.35 -0.29 0.00 -0.22 0.00 0.00 54.13 51.19 3inh s LEU 181 Cb -0.13 -2.16 -0.00 0.00 0.50 0.00 0.00 46.19 44.40 3inh s LEU 181 CO 0.03 -0.66 1.40 -0.83 -1.32 0.00 0.00 176.35 174.97 3inh s GLY 182 N 2.53 1.25 0.00 7.98 0.00 -0.19 -1.89 107.32 116.99 3inh s GLY 182 Ca 0.12 0.07 0.23 0.00 0.00 0.00 0.00 44.72 45.14 3inh s GLY 182 CO -0.04 2.72 1.26 1.04 0.00 0.00 0.00 173.10 178.09 3inh n LEU 183 N 8.21 3.02 0.00 0.66 4.77 0.09 -4.23 117.00 129.52 3inh n LEU 183 Ca 0.16 -1.08 -0.08 0.00 -0.03 0.00 0.00 56.01 54.99 3inh n LEU 183 Cb 0.47 -0.04 0.05 0.00 -2.33 0.00 0.00 43.42 41.58 3inh n LEU 183 CO 0.66 0.53 0.22 0.00 -1.33 0.00 0.00 177.39 177.47 3inh n ALA 184 N 1.33 -0.43 -2.28 -1.18 0.00 0.43 -4.94 120.51 113.44 3inh n ALA 184 Ca 0.14 -0.44 -0.25 0.00 0.00 0.00 0.00 53.44 52.89 3inh n ALA 184 Cb 0.58 -0.02 0.01 0.00 0.00 0.00 0.00 19.45 20.02 3inh n ALA 184 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3inh s TYR 185 N -1.73 3.35 0.53 0.00 1.51 -0.43 -4.62 117.35 115.97 3inh s TYR 185 Ca 0.19 0.52 0.21 0.00 -1.01 0.00 0.00 57.07 56.98 3inh s TYR 185 Cb -0.01 -2.39 1.36 0.00 -0.11 0.00 0.00 41.96 40.81 3inh s TYR 185 CO 0.14 -0.42 2.08 0.00 -1.11 0.00 0.00 175.55 176.23 3inh h ALA 186 N 0.22 2.22 -0.73 3.71 0.00 -1.86 -2.72 119.26 120.12 3inh h ALA 186 Ca -0.47 -0.01 0.20 0.00 0.00 0.00 0.00 54.91 54.63 3inh h ALA 186 Cb 1.24 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 3inh h ALA 186 CO 0.60 -0.33 0.51 1.49 0.00 0.00 0.00 179.25 181.52 3inh h GLU 187 N 0.00 0.08 -0.39 0.00 4.81 -1.87 -0.38 114.58 116.83 3inh h GLU 187 Ca 0.12 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3inh h GLU 187 Cb 0.51 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.87 3inh h GLU 187 CO -0.00 0.05 0.00 0.44 -0.73 0.00 0.00 179.01 178.77 3inh n ILE 188 N -4.36 1.54 -2.46 2.32 -5.35 -1.02 -4.69 119.36 105.34 3inh n ILE 188 Ca 0.14 -1.30 -0.36 0.00 -0.27 0.00 0.00 62.75 60.96 3inh n ILE 188 Cb 0.74 0.21 -0.03 0.00 -1.74 0.00 0.00 39.64 38.81 3inh n ILE 188 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3inh s ALA 189 N -1.70 3.02 -0.05 -1.28 0.00 -0.15 -4.60 121.76 116.99 3inh s ALA 189 Ca 0.35 0.75 -0.03 0.00 0.00 0.00 0.00 51.96 53.04 3inh s ALA 189 Cb 0.23 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 3inh s ALA 189 CO 0.16 -0.35 0.09 1.03 0.00 0.00 0.00 175.76 176.69 3inh s ARG 190 N -2.66 3.19 0.17 0.00 1.81 -1.26 -2.50 118.95 117.71 3inh s ARG 190 Ca 0.61 -0.36 0.26 0.00 -1.72 0.00 0.00 55.73 54.52 3inh s ARG 190 Cb -0.23 -2.96 0.79 0.00 -0.45 0.00 0.00 34.95 32.09 3inh s ARG 190 CO 0.28 0.70 1.72 -0.35 -0.68 0.00 0.00 175.30 176.98 3inh n PRO 191 N 1.55 0.23 -2.51 3.54 -0.04 -1.26 -4.91 135.00 131.60 3inh n PRO 191 Ca -0.16 0.17 -0.05 0.00 -0.04 0.00 0.00 63.50 63.42 3inh n PRO 191 Cb 0.53 -1.75 0.01 0.00 -0.04 0.00 0.00 33.50 32.25 3inh n PRO 191 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3inh n ASP 192 N -2.15 -1.10 -0.07 3.54 5.75 -1.04 -5.05 116.55 116.43 3inh n ASP 192 Ca 0.05 -1.86 0.14 0.00 -0.01 0.00 0.00 54.79 53.11 3inh n ASP 192 Cb 0.42 1.87 0.78 0.00 -1.03 0.00 0.00 41.12 43.16 3inh n ASP 192 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3inh n ASP 193 N -1.39 0.20 0.07 -1.12 5.68 -1.25 -2.98 116.55 115.76 3inh n ASP 193 Ca -0.04 -1.18 0.13 0.00 -0.50 0.00 0.00 54.79 53.20 3inh n ASP 193 Cb 0.31 -0.00 0.35 0.00 -1.14 0.00 0.00 41.12 40.63 3inh n ASP 193 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3inh n SER 194 N -0.79 0.68 -4.51 -1.12 3.41 -1.26 -4.57 113.62 105.46 3inh n SER 194 Ca 0.21 0.38 -0.42 0.00 -0.26 0.00 0.00 58.87 58.77 3inh n SER 194 Cb 0.13 -0.41 -0.03 0.00 -0.26 0.00 0.00 64.21 63.64 3inh n SER 194 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3inh s LEU 195 N -4.19 4.01 -0.06 1.04 2.96 -1.16 -4.98 118.68 116.31 3inh s LEU 195 Ca 0.10 -1.26 -0.35 0.00 -0.22 0.00 0.00 54.13 52.39 3inh s LEU 195 Cb 0.14 -2.49 -0.13 0.00 0.50 0.00 0.00 46.19 44.21 3inh s LEU 195 CO 0.63 -1.46 1.79 1.21 -1.32 0.00 0.00 176.35 177.20 3inh n GLU 196 N 8.15 2.01 -1.15 1.98 2.13 -1.26 -4.91 120.64 127.59 3inh n GLU 196 Ca 0.15 0.74 -0.32 0.00 0.66 0.00 0.00 57.16 58.39 3inh n GLU 196 Cb 0.49 -2.54 0.11 0.00 0.27 0.00 0.00 31.44 29.77 3inh n GLU 196 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 3inh s PRO 197 N 3.26 1.91 0.13 5.31 0.02 -1.26 -4.51 135.00 139.86 3inh s PRO 197 Ca 0.90 1.38 -0.25 0.00 0.02 0.00 0.00 61.00 63.05 3inh s PRO 197 Cb -0.74 -1.84 -0.02 0.00 0.02 0.00 0.00 34.50 31.91 3inh s PRO 197 CO 0.50 -1.94 1.63 0.35 -0.33 0.00 0.00 177.00 177.22 3inh h PHE 198 N -1.15 -0.68 -0.36 6.54 3.04 -1.80 -2.36 116.94 120.16 3inh h PHE 198 Ca -0.44 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.53 3inh h PHE 198 Cb 1.25 0.31 -0.02 0.00 2.56 0.00 0.00 35.95 40.06 3inh h PHE 198 CO 0.54 -0.34 0.19 0.35 -2.02 0.00 0.00 178.31 177.04 3inh h PHE 199 N -0.34 0.48 -0.38 0.41 3.57 -1.92 0.65 116.94 119.41 3inh h PHE 199 Ca 0.09 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 3inh h PHE 199 Cb 0.47 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 3inh h PHE 199 CO -0.33 0.35 0.14 -0.44 -2.23 0.00 0.00 178.31 175.79 3inh h ASP 200 N 0.50 0.54 -0.67 0.41 3.32 -1.83 -1.25 116.42 117.43 3inh h ASP 200 Ca 0.13 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 3inh h ASP 200 Cb 0.03 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 3inh h ASP 200 CO -0.02 0.58 0.42 0.28 -1.72 0.00 0.00 179.24 178.78 3inh h SER 201 N 0.47 0.80 -0.10 6.45 0.02 -0.71 -1.46 113.55 119.02 3inh h SER 201 Ca 0.12 -0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.04 3inh h SER 201 Cb 0.22 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3inh h SER 201 CO -0.01 0.61 0.02 0.25 -1.14 0.00 0.00 176.83 176.57 3inh h LEU 202 N 0.91 0.02 -0.33 5.07 5.85 -0.66 -0.59 115.31 125.58 3inh h LEU 202 Ca 0.24 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.93 3inh h LEU 202 Cb -0.05 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3inh h LEU 202 CO -0.05 0.03 0.04 0.58 -0.34 0.00 0.00 178.44 178.70 3inh h VAL 203 N 0.07 1.24 -0.61 1.05 2.07 -1.10 -1.51 116.25 117.46 3inh h VAL 203 Ca 0.04 -0.86 -0.07 0.00 0.82 0.00 0.00 66.70 66.63 3inh h VAL 203 Cb 0.03 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 3inh h VAL 203 CO -0.05 0.29 0.12 0.11 0.02 0.00 0.00 177.57 178.05 3inh h LYS 204 N 0.38 0.96 0.00 1.57 1.57 -1.15 -3.20 116.57 116.72 3inh h LYS 204 Ca 0.10 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 3inh h LYS 204 Cb 0.38 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3inh h LYS 204 CO 0.01 0.88 -0.86 1.96 -0.57 0.00 0.00 179.45 180.87 3inh h GLN 205 N 0.92 0.00 0.00 3.15 4.20 -1.05 -3.48 115.11 118.85 3inh h GLN 205 Ca 0.19 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 58.30 3inh h GLN 205 Cb 0.37 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.03 3inh h GLN 205 CO 0.01 0.08 -0.45 0.25 -0.67 0.00 0.00 178.83 178.05 3inh n THR 206 N -2.83 0.00 -0.29 -0.54 -2.24 -0.58 -5.04 114.28 102.77 3inh n THR 206 Ca -0.01 -2.26 0.07 0.00 -2.27 0.00 0.00 64.05 59.59 3inh n THR 206 Cb 0.61 0.52 0.31 0.00 -2.10 0.00 0.00 70.33 69.66 3inh n THR 206 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3inh n HIS 207 N -1.13 1.33 -2.16 4.78 8.25 -1.26 -4.76 115.22 120.27 3inh n HIS 207 Ca -0.17 -0.51 -0.42 0.00 -0.26 0.00 0.00 57.72 56.35 3inh n HIS 207 Cb 0.60 -0.25 -0.03 0.00 1.12 0.00 0.00 29.99 31.43 3inh n HIS 207 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3inh s VAL 208 N -1.91 3.42 0.43 1.59 1.01 -1.26 -4.98 120.40 118.71 3inh s VAL 208 Ca 0.43 0.94 -0.25 0.00 0.00 0.00 0.00 61.98 63.10 3inh s VAL 208 Cb 0.29 -3.60 -0.09 0.00 0.00 0.00 0.00 36.38 32.97 3inh s VAL 208 CO 0.19 0.04 1.23 -2.65 0.00 0.00 0.00 175.10 173.91 3inh n PRO 209 N 4.69 1.81 -1.44 2.72 -0.02 -1.26 -4.68 135.00 136.81 3inh n PRO 209 Ca 0.13 0.64 -0.42 0.00 -2.02 0.00 0.00 63.50 61.83 3inh n PRO 209 Cb 0.43 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 3inh n PRO 209 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3inh n ASN 210 N 0.16 3.30 -3.58 2.55 5.15 -1.26 -4.22 115.26 117.36 3inh n ASN 210 Ca 0.07 -2.76 -0.12 0.00 -0.60 0.00 0.00 54.58 51.17 3inh n ASN 210 Cb 0.40 -1.40 -0.06 0.00 -0.53 0.00 0.00 39.78 38.19 3inh n ASN 210 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3inh s LEU 211 N 1.67 -0.50 0.08 1.20 0.20 -1.26 -1.63 118.68 118.44 3inh s LEU 211 Ca 0.52 0.70 -0.08 0.00 0.69 0.00 0.00 54.13 55.96 3inh s LEU 211 Cb 0.14 2.09 -0.01 0.00 -0.43 0.00 0.00 46.19 47.98 3inh s LEU 211 CO 0.01 -0.35 0.16 0.72 -0.29 0.00 0.00 176.35 176.60 3inh s PHE 212 N -0.65 0.18 0.06 5.38 -0.12 -1.08 -0.08 117.98 121.66 3inh s PHE 212 Ca -0.03 -0.59 0.03 0.00 -0.05 0.00 0.00 56.93 56.30 3inh s PHE 212 Cb -0.02 -0.09 -0.03 0.00 -0.63 0.00 0.00 43.02 42.25 3inh s PHE 212 CO 0.02 -0.50 -0.09 -1.54 -0.05 0.00 0.00 175.22 173.05 3inh s SER 213 N -2.73 1.14 -0.09 1.98 1.04 0.18 -0.32 113.70 114.90 3inh s SER 213 Ca 0.03 -0.64 0.02 0.00 0.48 0.00 0.00 55.95 55.84 3inh s SER 213 Cb 0.04 0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.20 3inh s SER 213 CO -0.10 -0.21 -0.13 -0.76 0.98 0.00 0.00 173.24 173.02 3inh s LEU 214 N -1.87 1.61 -0.46 2.42 1.43 0.35 -1.11 118.68 121.06 3inh s LEU 214 Ca -0.04 -0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 52.68 3inh s LEU 214 Cb -0.08 -0.94 0.12 0.00 0.03 0.00 0.00 46.19 45.32 3inh s LEU 214 CO 0.00 0.01 0.25 -1.58 0.23 0.00 0.00 176.35 175.26 3inh s GLN 215 N 0.94 2.08 -0.16 1.70 0.74 0.12 -1.32 119.66 123.75 3inh s GLN 215 Ca -0.09 -2.02 -0.18 0.00 0.05 0.00 0.00 55.36 53.12 3inh s GLN 215 Cb -0.15 -3.57 -0.04 0.00 1.10 0.00 0.00 33.01 30.35 3inh s GLN 215 CO 0.00 -1.09 0.50 -0.51 -0.55 0.00 0.00 175.29 173.64 3inh s LEU 216 N 0.78 4.21 0.00 3.68 1.43 -1.26 -0.64 118.68 126.88 3inh s LEU 216 Ca 0.11 0.74 0.11 0.00 -1.03 0.00 0.00 54.13 54.06 3inh s LEU 216 Cb -0.22 -2.70 -0.05 0.00 0.03 0.00 0.00 46.19 43.25 3inh s LEU 216 CO -0.04 -0.09 0.60 0.00 0.23 0.00 0.00 176.35 177.05 3inh n GLY 218 N 1.08 2.00 0.00 0.00 0.00 -1.24 -4.68 105.19 102.35 3inh n GLY 218 Ca 0.04 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.54 3inh n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3inh n ALA 219 N 7.39 0.65 0.00 4.61 0.00 -1.26 -2.60 120.51 129.30 3inh n ALA 219 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3inh n ALA 219 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3inh n ALA 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3inh n GLY 220 N 3.00 -2.04 3.14 0.00 0.00 -1.26 -4.97 105.19 103.05 3inh n GLY 220 Ca 0.00 -1.37 -0.20 0.00 0.00 0.00 0.00 46.02 44.45 3inh n GLY 220 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3inh s PHE 221 N -3.68 1.23 0.32 1.61 2.99 -1.26 -5.13 117.98 114.06 3inh s PHE 221 Ca 0.00 -0.33 -0.24 0.00 0.00 0.00 0.00 56.93 56.36 3inh s PHE 221 Cb 0.00 -0.74 -0.16 0.00 0.00 0.00 0.00 43.02 42.12 3inh s PHE 221 CO 0.00 0.02 0.30 -0.11 -0.00 0.00 0.00 175.22 175.43 3inh n LEU 229 N 2.06 -2.02 -4.73 -0.37 0.00 -1.26 -5.15 117.00 105.53 3inh n LEU 229 Ca -0.17 0.95 -0.41 0.00 0.00 0.00 0.00 56.01 56.38 3inh n LEU 229 Cb 0.55 -0.92 0.00 0.00 0.00 0.00 0.00 43.42 43.05 3inh n LEU 229 CO 0.23 -3.61 0.99 0.00 0.00 0.00 0.00 177.39 175.01 3inh n ALA 230 N -0.57 1.74 -2.14 1.96 0.00 -1.26 -4.74 120.51 115.51 3inh n ALA 230 Ca 0.14 0.32 -0.37 0.00 0.00 0.00 0.00 53.44 53.52 3inh n ALA 230 Cb 0.34 -2.33 -0.06 0.00 0.00 0.00 0.00 19.45 17.40 3inh n ALA 230 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3inh s SER 231 N -0.32 7.12 0.33 0.00 0.01 -1.26 -0.55 113.70 119.03 3inh s SER 231 Ca 0.57 1.41 0.10 0.00 1.31 0.00 0.00 55.95 59.33 3inh s SER 231 Cb -0.51 -2.41 -0.06 0.00 0.21 0.00 0.00 66.02 63.25 3inh s SER 231 CO 0.61 0.14 -0.10 0.68 0.41 0.00 0.00 173.24 174.99 3inh s VAL 232 N -1.33 2.34 0.15 3.43 -7.23 0.01 -4.30 120.40 113.48 3inh s VAL 232 Ca 0.37 -2.20 -0.09 0.00 -1.81 0.00 0.00 61.98 58.25 3inh s VAL 232 Cb -0.19 -2.62 -0.00 0.00 0.56 0.00 0.00 36.38 34.13 3inh s VAL 232 CO 0.22 -0.23 0.28 -0.83 -0.31 0.00 0.00 175.10 174.23 3inh s GLY 233 N -3.61 0.36 0.00 2.32 0.00 -1.07 -2.22 107.32 103.10 3inh s GLY 233 Ca 0.32 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 44.26 3inh s GLY 233 CO 0.17 -0.79 0.00 0.61 0.00 0.00 0.00 173.10 173.09 3inh n GLY 234 N -0.19 0.69 2.95 0.20 0.00 -1.02 -0.95 105.19 106.86 3inh n GLY 234 Ca -0.09 -0.83 -0.18 0.00 0.00 0.00 0.00 46.02 44.92 3inh n GLY 234 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3inh s SER 235 N -0.93 0.79 -0.30 1.61 0.01 0.19 -1.46 113.70 113.61 3inh s SER 235 Ca 0.00 -0.12 -0.04 0.00 1.31 0.00 0.00 55.95 57.10 3inh s SER 235 Cb 0.00 -0.19 0.03 0.00 0.21 0.00 0.00 66.02 66.07 3inh s SER 235 CO 0.00 0.04 0.04 -0.32 0.41 0.00 0.00 173.24 173.40 3inh s MET 236 N 0.19 2.74 -0.38 12.44 1.75 -1.26 -0.70 119.30 134.08 3inh s MET 236 Ca -0.02 -1.07 -0.14 0.00 -1.25 0.00 0.00 55.69 53.20 3inh s MET 236 Cb -0.06 -3.27 0.01 0.00 2.84 0.00 0.00 34.83 34.34 3inh s MET 236 CO -0.00 -0.54 0.27 0.42 -0.65 0.00 0.00 175.02 174.52 3inh s ILE 237 N 1.37 5.25 -0.20 10.11 -1.09 -0.26 -4.87 121.20 131.51 3inh s ILE 237 Ca -0.01 -0.49 -0.13 0.00 -2.23 0.00 0.00 60.65 57.79 3inh s ILE 237 Cb -0.18 -3.84 -0.05 0.00 -1.58 0.00 0.00 42.46 36.82 3inh s ILE 237 CO 0.00 -0.19 0.27 -0.63 -1.23 0.00 0.00 174.94 173.16 3inh s ILE 238 N 1.69 5.30 0.00 2.92 1.01 -1.26 -0.65 121.20 130.22 3inh s ILE 238 Ca 0.05 0.46 0.00 0.00 0.00 0.00 0.00 60.65 61.17 3inh s ILE 238 Cb -0.18 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.68 3inh s ILE 238 CO 0.10 0.35 0.00 0.61 0.00 0.00 0.00 174.94 176.00 3inh n GLY 239 N 3.77 0.79 0.00 6.18 0.00 0.89 -4.79 105.19 112.03 3inh n GLY 239 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3inh n GLY 239 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3inh n GLY 240 N -2.15 -1.37 3.31 -0.02 0.00 -1.25 -4.39 105.19 99.32 3inh n GLY 240 Ca 0.00 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.71 3inh n GLY 240 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3inh s ILE 241 N -2.57 2.91 -0.46 -0.61 1.01 -1.26 -4.39 121.20 115.83 3inh s ILE 241 Ca 0.00 -0.69 -0.17 0.00 0.00 0.00 0.00 60.65 59.79 3inh s ILE 241 Cb 0.00 -2.24 0.05 0.00 0.01 0.00 0.00 42.46 40.27 3inh s ILE 241 CO 0.00 0.50 0.47 -0.62 0.00 0.00 0.00 174.94 175.29 3inh s ASP 242 N 0.78 6.18 0.39 3.58 3.68 -1.26 -4.94 116.67 125.07 3inh s ASP 242 Ca -0.05 -0.95 0.28 0.00 2.13 0.00 0.00 52.55 53.95 3inh s ASP 242 Cb -0.15 -2.22 1.28 0.00 -1.45 0.00 0.00 42.92 40.37 3inh s ASP 242 CO 0.01 -0.68 1.84 0.45 0.13 0.00 0.00 175.17 176.92 3inh h HIS 243 N 8.80 0.00 0.00 -5.34 3.86 -1.98 -1.64 115.15 118.85 3inh h HIS 243 Ca -0.27 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 3inh h HIS 243 Cb 1.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.58 3inh h HIS 243 CO 0.66 0.00 0.00 -1.13 0.86 0.00 0.00 177.93 178.32 3inh n SER 244 N -2.53 0.11 -0.27 2.45 3.41 -1.26 -3.29 113.62 112.23 3inh n SER 244 Ca 0.00 0.52 0.12 0.00 -0.26 0.00 0.00 58.87 59.25 3inh n SER 244 Cb 0.18 -0.54 0.26 0.00 -0.26 0.00 0.00 64.21 63.86 3inh n SER 244 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3inh n LEU 245 N -1.61 1.20 -3.96 1.04 4.77 -0.62 -4.80 117.00 113.03 3inh n LEU 245 Ca 0.05 -0.36 -0.09 0.00 -0.03 0.00 0.00 56.01 55.58 3inh n LEU 245 Cb 0.27 -0.10 -0.07 0.00 -2.33 0.00 0.00 43.42 41.19 3inh n LEU 245 CO 0.21 0.23 -0.08 -0.72 -1.33 0.00 0.00 177.39 175.71 3inh s TYR 246 N -2.56 0.40 0.16 -1.77 1.13 -1.21 -1.32 117.35 112.19 3inh s TYR 246 Ca 0.21 -0.78 0.08 0.00 -1.41 0.00 0.00 57.07 55.17 3inh s TYR 246 Cb 0.19 -0.11 -0.04 0.00 -1.10 0.00 0.00 41.96 40.89 3inh s TYR 246 CO 0.56 -0.65 -0.16 0.95 -2.51 0.00 0.00 175.55 173.74 3inh s THR 247 N -3.95 1.68 0.00 -3.49 -4.23 -0.63 -4.84 115.64 100.19 3inh s THR 247 Ca 0.15 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 3inh s THR 247 Cb 0.04 -1.82 0.00 0.00 1.34 0.00 0.00 72.50 72.06 3inh s THR 247 CO -0.03 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.25 3inh n GLY 248 N 0.17 -0.49 3.89 3.99 0.00 -1.26 -3.66 105.19 107.82 3inh n GLY 248 Ca -0.12 -1.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.47 3inh n GLY 248 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3inh s SER 249 N -4.00 6.55 -0.21 1.61 0.01 -1.26 -4.97 113.70 111.43 3inh s SER 249 Ca 0.00 0.68 -0.21 0.00 1.31 0.00 0.00 55.95 57.72 3inh s SER 249 Cb 0.00 -2.13 -0.02 0.00 0.21 0.00 0.00 66.02 64.08 3inh s SER 249 CO 0.00 0.09 0.65 -0.76 0.41 0.00 0.00 173.24 173.63 3inh s LEU 250 N -2.38 4.12 -0.12 2.44 1.43 -1.26 -4.46 118.68 118.45 3inh s LEU 250 Ca 0.38 0.83 -0.03 0.00 -1.03 0.00 0.00 54.13 54.29 3inh s LEU 250 Cb -0.13 -2.92 -0.03 0.00 0.03 0.00 0.00 46.19 43.14 3inh s LEU 250 CO 0.22 -0.32 -0.00 0.26 0.23 0.00 0.00 176.35 176.73 3inh s TRP 251 N 2.13 3.12 -0.12 0.29 0.52 0.10 -4.88 118.94 120.11 3inh s TRP 251 Ca 0.29 0.03 -0.02 0.00 0.02 0.00 0.00 56.10 56.42 3inh s TRP 251 Cb -0.16 -1.87 -0.03 0.00 -1.15 0.00 0.00 33.47 30.26 3inh s TRP 251 CO 0.10 0.27 -0.05 0.71 0.02 0.00 0.00 176.95 178.00 3inh s TYR 252 N -0.34 2.99 -0.06 -1.98 1.51 -1.26 -0.08 117.35 118.12 3inh s TYR 252 Ca 0.07 -0.17 0.02 0.00 -1.01 0.00 0.00 57.07 55.98 3inh s TYR 252 Cb -0.12 -1.85 -0.03 0.00 -0.11 0.00 0.00 41.96 39.85 3inh s TYR 252 CO 0.02 0.12 -0.12 -0.08 -1.11 0.00 0.00 175.55 174.38 3inh s THR 253 N -0.15 3.23 0.42 -0.71 -1.32 -0.06 -3.44 115.64 113.61 3inh s THR 253 Ca 0.02 -0.65 -0.25 0.00 -1.21 0.00 0.00 61.69 59.60 3inh s THR 253 Cb -0.13 -2.29 -0.08 0.00 -1.51 0.00 0.00 72.50 68.49 3inh s THR 253 CO 0.03 0.58 1.28 -2.16 -2.21 0.00 0.00 174.62 172.14 3inh s PRO 254 N -0.62 3.90 -0.40 7.08 0.04 -1.26 -0.38 135.00 143.36 3inh s PRO 254 Ca 0.09 2.10 -0.29 0.00 0.04 0.00 0.00 61.00 62.94 3inh s PRO 254 Cb -0.11 -2.69 0.02 0.00 0.04 0.00 0.00 34.50 31.76 3inh s PRO 254 CO 0.01 -0.53 1.20 0.42 0.04 0.00 0.00 177.00 178.15 3inh s ILE 255 N -1.30 4.20 0.14 0.56 1.01 -0.08 -4.57 121.20 121.16 3inh s ILE 255 Ca 0.58 1.29 -0.13 0.00 0.00 0.00 0.00 60.65 62.39 3inh s ILE 255 Cb -0.37 -4.42 0.01 0.00 0.01 0.00 0.00 42.46 37.70 3inh s ILE 255 CO 0.47 -0.76 1.60 -0.09 0.00 0.00 0.00 174.94 176.15 3inh h ARG 256 N 9.28 0.82 -2.94 2.79 2.43 -1.12 -3.45 114.38 122.20 3inh h ARG 256 Ca -0.24 -0.25 -0.13 0.00 -0.81 0.00 0.00 59.98 58.55 3inh h ARG 256 Cb 1.07 -0.08 -0.23 0.00 -0.42 0.00 0.00 29.97 30.31 3inh h ARG 256 CO 1.08 0.86 -0.30 0.50 -1.51 0.00 0.00 179.97 180.61 3inh s ARG 257 N -5.06 0.49 -1.25 0.20 3.52 -1.26 -5.07 118.95 110.52 3inh s ARG 257 Ca -0.13 0.26 -0.13 0.00 -0.13 0.00 0.00 55.73 55.61 3inh s ARG 257 Cb 0.11 0.23 0.16 0.00 -1.56 0.00 0.00 34.95 33.89 3inh s ARG 257 CO 0.81 -0.09 1.65 0.39 -0.81 0.00 0.00 175.30 177.24 3inh n GLU 258 N 2.36 3.42 0.00 5.12 1.02 -1.26 -4.00 120.64 127.29 3inh n GLU 258 Ca -0.16 -3.64 0.00 0.00 -0.02 0.00 0.00 57.16 53.34 3inh n GLU 258 Cb 0.57 -3.05 0.00 0.00 -0.02 0.00 0.00 31.44 28.94 3inh n GLU 258 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 3inh n TRP 259 N 5.31 0.00 -1.87 -0.32 4.27 -1.26 -4.57 117.44 119.00 3inh n TRP 259 Ca 0.40 0.00 -0.30 0.00 -3.89 0.00 0.00 57.50 53.71 3inh n TRP 259 Cb 0.41 0.00 0.18 0.00 -1.36 0.00 0.00 31.31 30.53 3inh n TRP 259 CO 0.00 0.00 0.00 0.71 -2.29 0.00 0.00 177.69 176.11 3inh s TYR 260 N 0.00 1.73 -1.24 -2.67 2.02 -1.26 -1.31 117.35 114.61 3inh s TYR 260 Ca 0.00 0.40 -0.16 0.00 -0.37 0.00 0.00 57.07 56.94 3inh s TYR 260 Cb 0.00 -3.99 0.13 0.00 -0.40 0.00 0.00 41.96 37.70 3inh s TYR 260 CO 0.00 -2.60 1.56 0.71 -1.57 0.00 0.00 175.55 173.65 3inh s TYR 261 N -3.79 3.17 0.03 2.71 1.51 -1.26 -4.82 117.35 114.91 3inh s TYR 261 Ca 0.72 -1.89 -0.26 0.00 -1.01 0.00 0.00 57.07 54.63 3inh s TYR 261 Cb -0.05 -4.51 -0.05 0.00 -0.11 0.00 0.00 41.96 37.23 3inh s TYR 261 CO 0.53 -1.58 0.80 -2.00 -1.11 0.00 0.00 175.55 172.18 3inh s GLU 262 N 2.78 4.52 0.38 -0.62 2.12 -1.26 -1.82 118.70 124.81 3inh s GLU 262 Ca 0.48 1.12 0.04 0.00 0.36 0.00 0.00 54.97 56.97 3inh s GLU 262 Cb 0.00 -3.39 -0.03 0.00 0.26 0.00 0.00 34.13 30.98 3inh s GLU 262 CO 0.03 0.21 0.16 0.14 -0.54 0.00 0.00 175.26 175.27 3inh s VAL 263 N 0.17 0.44 -0.13 3.70 -7.23 -0.03 -0.51 120.40 116.81 3inh s VAL 263 Ca 0.41 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.59 3inh s VAL 263 Cb -0.20 -2.40 0.02 0.00 0.56 0.00 0.00 36.38 34.35 3inh s VAL 263 CO 0.24 0.00 -0.16 -0.63 -0.31 0.00 0.00 175.10 174.24 3inh s ILE 264 N -3.31 1.62 -0.17 -0.62 -1.09 -1.26 -4.05 121.20 112.32 3inh s ILE 264 Ca 0.29 -0.69 -0.15 0.00 -2.23 0.00 0.00 60.65 57.87 3inh s ILE 264 Cb 0.03 -1.49 -0.04 0.00 -1.58 0.00 0.00 42.46 39.38 3inh s ILE 264 CO 0.18 0.47 0.33 -0.63 -1.23 0.00 0.00 174.94 174.05 3inh s ILE 265 N 1.17 5.27 -0.46 2.92 1.01 -1.26 -0.88 121.20 128.98 3inh s ILE 265 Ca -0.02 0.62 0.15 0.00 0.00 0.00 0.00 60.65 61.40 3inh s ILE 265 Cb -0.14 -3.67 -0.19 0.00 0.01 0.00 0.00 42.46 38.47 3inh s ILE 265 CO -0.06 0.35 0.53 1.33 0.00 0.00 0.00 174.94 177.09 3inh n VAL 266 N 3.80 0.00 -3.60 2.92 0.24 0.20 -4.68 118.33 117.21 3inh n VAL 266 Ca -0.11 -0.22 -0.08 0.00 -2.04 0.00 0.00 64.34 61.89 3inh n VAL 266 Cb 0.52 0.69 -0.05 0.00 -1.47 0.00 0.00 33.84 33.52 3inh n VAL 266 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3inh s ARG 267 N -2.65 0.45 -0.00 7.34 3.52 -1.23 -4.68 118.95 121.69 3inh s ARG 267 Ca 0.02 0.18 0.00 0.00 -0.13 0.00 0.00 55.73 55.80 3inh s ARG 267 Cb 0.11 0.21 0.00 0.00 -1.56 0.00 0.00 34.95 33.71 3inh s ARG 267 CO 0.62 -0.12 -0.00 0.54 -0.81 0.00 0.00 175.30 175.53 3inh s VAL 268 N -0.82 0.04 0.07 7.11 0.11 -1.26 -0.28 120.40 125.38 3inh s VAL 268 Ca 0.02 -0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.12 3inh s VAL 268 Cb -0.01 -0.06 -0.03 0.00 -1.53 0.00 0.00 36.38 34.74 3inh s VAL 268 CO -0.02 0.03 -0.16 -1.83 -3.33 0.00 0.00 175.10 169.78 3inh s GLU 269 N 0.12 0.94 -0.25 1.54 -1.05 -0.63 -1.79 118.70 117.58 3inh s GLU 269 Ca -0.01 -0.99 -0.04 0.00 -0.15 0.00 0.00 54.97 53.79 3inh s GLU 269 Cb -0.02 -1.02 0.01 0.00 -0.44 0.00 0.00 34.13 32.66 3inh s GLU 269 CO -0.00 0.24 -0.03 0.42 0.95 0.00 0.00 175.26 176.84 3inh s ILE 270 N -1.17 3.28 -1.42 1.83 -1.09 -0.40 -1.02 121.20 121.20 3inh s ILE 270 Ca 0.01 -0.75 -0.02 0.00 -2.23 0.00 0.00 60.65 57.66 3inh s ILE 270 Cb -0.10 -2.60 0.02 0.00 -1.58 0.00 0.00 42.46 38.20 3inh s ILE 270 CO 0.03 0.27 0.53 0.59 -1.23 0.00 0.00 174.94 175.12 3inh n ASN 271 N 4.76 -0.93 0.00 3.58 4.13 -0.09 -1.42 115.26 125.28 3inh n ASN 271 Ca -0.17 -0.96 0.00 0.00 1.68 0.00 0.00 54.58 55.13 3inh n ASN 271 Cb 0.49 -3.25 0.00 0.00 -1.54 0.00 0.00 39.78 35.47 3inh n ASN 271 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3inh n GLY 272 N -1.85 1.55 3.56 7.41 0.00 -1.26 -4.98 105.19 109.62 3inh n GLY 272 Ca -0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 3inh n GLY 272 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3inh s GLN 273 N -0.10 3.62 0.25 1.61 2.00 -0.51 -5.00 119.66 121.54 3inh s GLN 273 Ca 0.00 -0.12 -0.31 0.00 -2.00 0.00 0.00 55.36 52.93 3inh s GLN 273 Cb 0.00 -3.81 -0.12 0.00 0.80 0.00 0.00 33.01 29.88 3inh s GLN 273 CO 0.00 -0.67 1.65 0.34 -0.50 0.00 0.00 175.29 176.12 3inh s ASP 274 N 1.77 6.37 0.30 6.67 3.68 -1.26 -1.28 116.67 132.93 3inh s ASP 274 Ca 0.20 2.91 0.25 0.00 2.13 0.00 0.00 52.55 58.04 3inh s ASP 274 Cb -0.15 -2.62 1.04 0.00 -1.45 0.00 0.00 42.92 39.74 3inh s ASP 274 CO 0.14 -0.94 1.75 -0.07 0.13 0.00 0.00 175.17 176.18 3inh h LEU 275 N 5.73 0.00 -1.37 -1.34 3.38 -1.74 -3.47 115.31 116.50 3inh h LEU 275 Ca -0.45 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.11 3inh h LEU 275 Cb 1.21 0.00 0.07 0.00 0.09 0.00 0.00 40.66 42.03 3inh h LEU 275 CO 0.87 0.00 -0.77 0.29 0.09 0.00 0.00 178.44 178.92 3inh n LYS 276 N -2.37 -6.04 -4.15 1.13 5.02 -1.26 -5.00 118.16 105.49 3inh n LYS 276 Ca 0.02 0.70 -0.29 0.00 -2.02 0.00 0.00 58.31 56.72 3inh n LYS 276 Cb 0.24 -5.54 -0.08 0.00 -0.02 0.00 0.00 35.03 29.63 3inh n LYS 276 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3inh s MET 277 N -6.07 2.46 0.10 1.97 -1.94 -1.26 -5.07 119.30 109.49 3inh s MET 277 Ca 0.28 -0.91 -0.34 0.00 -1.71 0.00 0.00 55.69 53.01 3inh s MET 277 Cb -0.13 -2.48 -0.14 0.00 2.01 0.00 0.00 34.83 34.09 3inh s MET 277 CO 0.78 0.52 1.62 -3.47 -0.01 0.00 0.00 175.02 174.47 3inh n ASP 278 N 0.45 3.04 0.15 3.03 -0.08 -1.26 -4.83 116.55 117.05 3inh n ASP 278 Ca -0.11 1.06 0.11 0.00 -1.51 0.00 0.00 54.79 54.35 3inh n ASP 278 Cb 0.53 -1.39 0.55 0.00 2.34 0.00 0.00 41.12 43.14 3inh n ASP 278 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3inh h LYS 280 N 0.00 0.03 -0.21 0.00 1.57 -1.80 -2.42 116.57 113.74 3inh h LYS 280 Ca 0.00 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3inh h LYS 280 Cb 0.16 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3inh h LYS 280 CO 0.00 0.18 -0.01 0.93 -0.57 0.00 0.00 179.45 179.98 3inh h GLU 281 N 0.03 0.30 0.00 3.15 4.39 -1.20 -2.19 114.58 119.06 3inh h GLU 281 Ca 0.00 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 3inh h GLU 281 Cb 0.29 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 3inh h GLU 281 CO 0.02 0.34 -0.10 1.88 -1.16 0.00 0.00 179.01 179.99 3inh h TYR 282 N 0.30 0.00 -0.56 4.33 0.05 -1.58 -3.25 116.97 116.26 3inh h TYR 282 Ca 0.07 0.00 -0.41 0.00 0.05 0.00 0.00 58.73 58.44 3inh h TYR 282 Cb 0.22 0.00 -0.34 0.00 1.01 0.00 0.00 36.73 37.62 3inh h TYR 282 CO 0.00 0.10 -0.78 0.09 -1.05 0.00 0.00 178.16 176.53 3inh n ASN 283 N -3.19 3.96 -4.23 3.88 3.02 -0.84 -4.31 115.26 113.54 3inh n ASN 283 Ca 0.01 -3.64 -0.38 0.00 -0.03 0.00 0.00 54.58 50.55 3inh n ASN 283 Cb 0.42 -0.39 -0.12 0.00 -0.61 0.00 0.00 39.78 39.08 3inh n ASN 283 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3inh s TYR 284 N -3.47 3.32 -2.07 3.10 5.04 -1.08 -1.43 117.35 120.76 3inh s TYR 284 Ca 0.46 -1.66 0.25 0.00 -2.44 0.00 0.00 57.07 53.68 3inh s TYR 284 Cb 0.40 -2.51 0.42 0.00 0.35 0.00 0.00 41.96 40.62 3inh s TYR 284 CO 0.01 -0.80 1.36 -0.40 -1.34 0.00 0.00 175.55 174.38 3inh n ASP 285 N 4.77 1.68 -3.64 4.32 5.75 -1.26 -3.42 116.55 124.74 3inh n ASP 285 Ca -0.11 -1.32 -0.08 0.00 -0.01 0.00 0.00 54.79 53.28 3inh n ASP 285 Cb 0.44 0.25 -0.02 0.00 -1.03 0.00 0.00 41.12 40.76 3inh n ASP 285 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 3inh s LYS 286 N -2.39 1.29 -0.06 0.11 -2.85 -0.51 -4.53 119.74 110.79 3inh s LYS 286 Ca 0.24 -0.62 0.03 0.00 -1.00 0.00 0.00 55.97 54.61 3inh s LYS 286 Cb 0.19 0.50 0.01 0.00 -2.06 0.00 0.00 37.83 36.47 3inh s LYS 286 CO 0.50 -0.58 -0.14 -1.12 0.10 0.00 0.00 175.35 174.11 3inh s SER 287 N -2.79 1.94 0.12 0.03 0.01 -1.26 -0.26 113.70 111.49 3inh s SER 287 Ca 0.08 -0.33 0.05 0.00 1.31 0.00 0.00 55.95 57.05 3inh s SER 287 Cb -0.02 -0.82 -0.04 0.00 0.21 0.00 0.00 66.02 65.35 3inh s SER 287 CO -0.03 0.07 -0.12 0.27 0.41 0.00 0.00 173.24 173.85 3inh s ILE 288 N 0.50 1.14 -0.33 1.44 -4.36 -0.57 -0.85 121.20 118.18 3inh s ILE 288 Ca -0.13 -1.77 -0.11 0.00 -0.26 0.00 0.00 60.65 58.38 3inh s ILE 288 Cb -0.15 -1.54 -0.01 0.00 1.25 0.00 0.00 42.46 42.01 3inh s ILE 288 CO 0.04 -0.55 0.20 -0.69 0.24 0.00 0.00 174.94 174.18 3inh s VAL 289 N -2.55 4.96 -0.26 8.37 1.01 -0.75 -0.66 120.40 130.52 3inh s VAL 289 Ca 0.10 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 3inh s VAL 289 Cb -0.02 -3.55 0.08 0.00 0.00 0.00 0.00 36.38 32.89 3inh s VAL 289 CO 0.01 0.01 0.08 -0.62 0.00 0.00 0.00 175.10 174.58 3inh s ASP 290 N 1.67 3.45 0.41 3.32 2.15 -0.45 -4.55 116.67 122.67 3inh s ASP 290 Ca 0.05 -1.22 0.29 0.00 0.43 0.00 0.00 52.55 52.10 3inh s ASP 290 Cb -0.17 -0.65 1.29 0.00 -0.30 0.00 0.00 42.92 43.08 3inh s ASP 290 CO 0.09 -0.37 1.87 0.77 -0.17 0.00 0.00 175.17 177.35 3inh h SER 291 N 8.22 0.00 -0.32 -0.34 4.64 -1.85 -2.57 113.55 121.33 3inh h SER 291 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3inh h SER 291 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3inh h SER 291 CO 0.41 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.98 3inh n GLY 292 N -0.23 0.56 3.21 -0.77 0.00 -1.26 -4.57 105.19 102.13 3inh n GLY 292 Ca 0.01 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 3inh n GLY 292 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3inh s THR 293 N -1.58 1.87 -0.04 2.61 2.01 -0.97 -5.02 115.64 114.52 3inh s THR 293 Ca 0.24 -0.94 -0.25 0.00 0.31 0.00 0.00 61.69 61.05 3inh s THR 293 Cb 0.13 -1.61 -0.20 0.00 0.01 0.00 0.00 72.50 70.83 3inh s THR 293 CO 0.17 0.52 1.10 0.74 -0.69 0.00 0.00 174.62 176.46 3inh h THR 294 N 5.41 1.26 -3.92 -0.82 2.02 -1.85 0.39 112.91 115.40 3inh h THR 294 Ca -0.27 -1.27 -0.48 0.00 0.77 0.00 0.00 66.41 65.15 3inh h THR 294 Cb 1.20 2.07 0.06 0.00 -1.74 0.00 0.00 68.15 69.74 3inh h THR 294 CO 0.47 0.31 0.25 0.20 0.37 0.00 0.00 175.52 177.12 3inh s ASN 295 N -5.67 5.62 -0.38 4.18 -0.87 -1.26 -1.88 114.94 114.68 3inh s ASN 295 Ca -0.15 0.88 -0.28 0.00 -1.57 0.00 0.00 52.86 51.73 3inh s ASN 295 Cb 0.01 -1.84 0.02 0.00 -0.02 0.00 0.00 41.25 39.42 3inh s ASN 295 CO 0.62 -1.10 1.06 -0.22 -2.57 0.00 0.00 177.10 174.89 3inh s LEU 296 N -5.09 3.85 -0.15 0.60 2.96 -0.67 -2.60 118.68 117.58 3inh s LEU 296 Ca 0.55 0.75 -0.05 0.00 -0.22 0.00 0.00 54.13 55.16 3inh s LEU 296 Cb -0.11 -3.48 -0.03 0.00 0.50 0.00 0.00 46.19 43.07 3inh s LEU 296 CO 0.47 -1.00 -0.00 -0.13 -1.32 0.00 0.00 176.35 174.37 3inh s ARG 297 N 3.88 3.69 0.05 1.98 0.52 -0.32 -1.55 118.95 127.19 3inh s ARG 297 Ca 0.45 -0.45 0.07 0.00 -0.52 0.00 0.00 55.73 55.28 3inh s ARG 297 Cb -0.10 -2.99 -0.03 0.00 0.52 0.00 0.00 34.95 32.35 3inh s ARG 297 CO 0.21 0.31 -0.21 -0.51 0.02 0.00 0.00 175.30 175.12 3inh s LEU 298 N 0.21 2.18 0.56 2.53 1.43 -0.21 -0.31 118.68 125.07 3inh s LEU 298 Ca -0.00 -0.54 -0.19 0.00 -1.03 0.00 0.00 54.13 52.37 3inh s LEU 298 Cb -0.13 -0.97 -0.07 0.00 0.03 0.00 0.00 46.19 45.04 3inh s LEU 298 CO 0.02 0.15 0.81 -2.65 0.23 0.00 0.00 176.35 174.91 3inh n PRO 299 N 1.79 0.82 -0.26 1.29 -0.02 -1.26 -0.05 135.00 137.32 3inh n PRO 299 Ca -0.17 0.31 -0.02 0.00 -2.02 0.00 0.00 63.50 61.60 3inh n PRO 299 Cb 0.53 -1.97 0.04 0.00 -0.02 0.00 0.00 33.50 32.08 3inh n PRO 299 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3inh h LYS 300 N 0.57 -0.08 -0.61 -0.52 3.64 -1.90 0.25 116.57 117.92 3inh h LYS 300 Ca -0.47 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 58.85 3inh h LYS 300 Cb 1.37 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.19 3inh h LYS 300 CO 0.50 -0.05 0.09 -0.22 -2.27 0.00 0.00 179.45 177.50 3inh h LYS 301 N -0.08 1.01 -0.33 1.90 3.64 -1.93 -2.15 116.57 118.63 3inh h LYS 301 Ca 0.30 -0.26 -0.18 0.00 -1.27 0.00 0.00 60.65 59.24 3inh h LYS 301 Cb 0.57 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3inh h LYS 301 CO -0.78 0.93 -0.49 0.28 -2.27 0.00 0.00 179.45 177.12 3inh h VAL 302 N 0.94 1.27 -0.24 2.00 2.07 -1.42 -2.77 116.25 118.10 3inh h VAL 302 Ca 0.19 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 66.04 3inh h VAL 302 Cb 0.43 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 3inh h VAL 302 CO 0.01 0.55 0.15 0.15 0.02 0.00 0.00 177.57 178.46 3inh h PHE 303 N 0.71 0.29 -0.53 1.57 3.04 -0.39 -0.76 116.94 120.86 3inh h PHE 303 Ca 0.03 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.00 3inh h PHE 303 Cb 1.10 -0.10 -0.03 0.00 2.56 0.00 0.00 35.95 39.49 3inh h PHE 303 CO 0.07 0.18 0.34 0.93 -2.02 0.00 0.00 178.31 177.81 3inh h GLU 304 N 0.31 0.68 -0.63 1.11 5.08 -1.39 -0.31 114.58 119.42 3inh h GLU 304 Ca 0.09 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 3inh h GLU 304 Cb -0.03 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 3inh h GLU 304 CO -0.03 0.45 0.17 0.00 -1.00 0.00 0.00 179.01 178.60 3inh h ALA 305 N 1.21 1.11 0.01 3.43 0.00 -1.31 -2.27 119.26 121.43 3inh h ALA 305 Ca 0.20 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3inh h ALA 305 Cb -0.06 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.48 3inh h ALA 305 CO -0.06 0.60 -0.00 0.00 0.00 0.00 0.00 179.25 179.79 3inh h ALA 306 N 1.24 -0.01 -0.49 0.00 0.00 -0.54 -2.59 119.26 116.86 3inh h ALA 306 Ca 0.20 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3inh h ALA 306 Cb 0.31 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3inh h ALA 306 CO -0.00 -0.36 0.31 0.28 0.00 0.00 0.00 179.25 179.48 3inh h VAL 307 N -0.32 1.09 -0.45 0.00 2.07 -1.03 -0.18 116.25 117.44 3inh h VAL 307 Ca -0.00 -0.21 0.08 0.00 0.82 0.00 0.00 66.70 67.39 3inh h VAL 307 Cb 0.31 0.41 -0.07 0.00 -1.52 0.00 0.00 31.29 30.42 3inh h VAL 307 CO 0.00 0.11 0.04 0.50 0.02 0.00 0.00 177.57 178.25 3inh h LYS 308 N 0.62 0.16 -0.55 1.57 3.64 -1.41 0.53 116.57 121.12 3inh h LYS 308 Ca 0.19 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.45 3inh h LYS 308 Cb -0.03 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 3inh h LYS 308 CO -0.06 0.10 -0.09 1.03 -2.27 0.00 0.00 179.45 178.16 3inh h SER 309 N 0.16 1.04 -0.40 4.20 0.87 -1.04 -1.51 113.55 116.87 3inh h SER 309 Ca 0.22 -0.35 -0.07 0.00 -1.23 0.00 0.00 61.79 60.37 3inh h SER 309 Cb 0.31 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 3inh h SER 309 CO -0.33 1.14 -0.01 0.40 -0.53 0.00 0.00 176.83 177.49 3inh h ILE 310 N 0.92 1.26 -0.52 2.23 2.04 -0.46 -1.78 117.51 121.20 3inh h ILE 310 Ca 0.14 -1.03 0.06 0.00 1.00 0.00 0.00 64.86 65.03 3inh h ILE 310 Cb 0.66 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.82 3inh h ILE 310 CO 0.05 0.35 0.23 0.11 0.00 0.00 0.00 178.15 178.89 3inh h LYS 311 N 0.55 0.43 -0.25 2.37 1.57 0.19 -1.82 116.57 119.61 3inh h LYS 311 Ca 0.11 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 3inh h LYS 311 Cb 0.50 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 3inh h LYS 311 CO 0.02 0.29 0.09 0.00 -0.57 0.00 0.00 179.45 179.28 3inh h ALA 312 N 1.31 0.33 -0.28 3.86 0.00 -1.12 -1.39 119.26 121.97 3inh h ALA 312 Ca 0.24 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3inh h ALA 312 Cb 0.20 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3inh h ALA 312 CO -0.20 -0.05 0.09 0.00 0.00 0.00 0.00 179.25 179.08 3inh h ALA 313 N 0.92 1.63 -0.65 0.00 0.00 -1.09 -1.72 119.26 118.36 3inh h ALA 313 Ca 0.08 -0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 3inh h ALA 313 Cb 0.21 -0.12 -0.12 0.00 0.00 0.00 0.00 17.79 17.76 3inh h ALA 313 CO -0.00 0.29 0.22 -1.13 0.00 0.00 0.00 179.25 178.63 3inh n SER 314 N -4.40 4.32 -0.19 0.00 3.41 -0.71 -4.64 113.62 111.41 3inh n SER 314 Ca 0.01 -3.30 0.12 0.00 -0.26 0.00 0.00 58.87 55.44 3inh n SER 314 Cb 0.15 -0.71 0.44 0.00 -0.26 0.00 0.00 64.21 63.82 3inh n SER 314 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3inh h SER 315 N 2.20 0.52 -1.00 4.04 4.64 -0.29 -3.39 113.55 120.27 3inh h SER 315 Ca 0.26 0.02 -0.39 0.00 -0.47 0.00 0.00 61.79 61.21 3inh h SER 315 Cb 2.18 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 64.16 3inh h SER 315 CO 0.66 0.29 1.42 0.35 -0.87 0.00 0.00 176.83 178.68 3inh n THR 316 N -4.50 -0.05 -1.96 2.95 -2.24 -1.26 -3.62 114.28 103.59 3inh n THR 316 Ca 0.14 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 3inh n THR 316 Cb 0.43 -2.08 0.00 0.00 -2.10 0.00 0.00 70.33 66.59 3inh n THR 316 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3inh n GLU 317 N 8.69 -3.86 -3.02 -0.78 1.02 -1.26 -5.07 120.64 116.36 3inh n GLU 317 Ca 0.46 2.92 -0.19 0.00 -0.02 0.00 0.00 57.16 60.33 3inh n GLU 317 Cb 0.41 -3.58 0.06 0.00 -0.02 0.00 0.00 31.44 28.31 3inh n GLU 317 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3inh s LYS 318 N -1.01 2.33 0.26 3.49 1.02 -1.24 -5.02 119.74 119.57 3inh s LYS 318 Ca 0.00 -1.60 0.05 0.00 0.02 0.00 0.00 55.97 54.43 3inh s LYS 318 Cb 0.00 -2.65 -0.06 0.00 -0.52 0.00 0.00 37.83 34.61 3inh s LYS 318 CO 0.00 -0.83 -0.01 -0.06 -0.92 0.00 0.00 175.35 173.53 3inh s PHE 319 N -2.66 1.75 0.62 3.18 0.40 -1.26 -5.14 117.98 114.87 3inh s PHE 319 Ca 0.61 -0.86 -0.18 0.00 -0.60 0.00 0.00 56.93 55.91 3inh s PHE 319 Cb -0.06 -1.03 -0.02 0.00 0.51 0.00 0.00 43.02 42.41 3inh s PHE 319 CO 0.39 0.07 1.20 -2.14 0.70 0.00 0.00 175.22 175.43 3inh s PRO 320 N -3.83 2.85 0.27 0.24 0.02 -1.26 -4.93 135.00 128.37 3inh s PRO 320 Ca 0.30 1.77 0.25 0.00 0.02 0.00 0.00 61.00 63.34 3inh s PRO 320 Cb 0.06 -1.92 0.92 0.00 0.02 0.00 0.00 34.50 33.57 3inh s PRO 320 CO 0.11 -1.29 1.75 0.38 -0.33 0.00 0.00 177.00 177.63 3inh h ASP 321 N 0.65 0.00 0.18 2.53 2.03 -2.00 -2.02 116.42 117.78 3inh h ASP 321 Ca -0.50 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 55.78 3inh h ASP 321 Cb 1.29 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.79 3inh h ASP 321 CO 0.54 0.00 -0.10 1.23 -1.03 0.00 0.00 179.24 179.89 3inh h GLY 322 N 3.19 0.00 0.72 7.15 0.00 -1.93 -1.23 103.07 110.96 3inh h GLY 322 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 3inh h GLY 322 CO 0.00 0.00 -0.39 -2.75 0.00 0.00 0.00 176.54 173.40 3inh h PHE 323 N 0.00 0.51 0.00 5.60 3.57 -1.50 0.34 116.94 125.45 3inh h PHE 323 Ca -0.00 -0.23 0.00 0.00 3.53 0.00 0.00 57.97 61.27 3inh h PHE 323 Cb 0.21 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.88 3inh h PHE 323 CO 0.00 1.00 0.00 -1.49 -2.23 0.00 0.00 178.31 175.59 3inh h TRP 324 N -0.13 0.00 -0.24 0.41 4.06 -1.47 -0.84 115.95 117.74 3inh h TRP 324 Ca -0.03 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.92 3inh h TRP 324 Cb 1.06 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.22 3inh h TRP 324 CO 0.13 0.00 0.00 1.28 -3.56 0.00 0.00 178.44 176.29 3inh n LEU 325 N -2.91 2.23 -0.85 -4.49 4.77 -0.51 -4.92 117.00 110.32 3inh n LEU 325 Ca -0.00 -0.95 -0.10 0.00 -0.03 0.00 0.00 56.01 54.93 3inh n LEU 325 Cb 0.22 -0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 3inh n LEU 325 CO 0.23 0.47 -0.10 0.61 -1.33 0.00 0.00 177.39 177.27 3inh n GLY 326 N 1.24 0.93 0.02 -0.72 0.00 -0.32 -4.93 105.19 101.41 3inh n GLY 326 Ca 0.17 -0.55 -0.02 0.00 0.00 0.00 0.00 46.02 45.62 3inh n GLY 326 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3inh n GLU 327 N -2.57 0.11 -2.85 1.61 1.02 0.99 -4.87 120.64 114.09 3inh n GLU 327 Ca -0.10 0.14 -0.35 0.00 -0.02 0.00 0.00 57.16 56.83 3inh n GLU 327 Cb 0.38 -0.79 -0.07 0.00 -0.02 0.00 0.00 31.44 30.94 3inh n GLU 327 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3inh s GLN 328 N -1.36 4.36 0.37 3.49 0.74 -0.00 -4.93 119.66 122.33 3inh s GLN 328 Ca -0.05 1.15 -0.00 0.00 0.05 0.00 0.00 55.36 56.51 3inh s GLN 328 Cb 0.01 -2.51 -0.03 0.00 1.10 0.00 0.00 33.01 31.58 3inh s GLN 328 CO 0.08 0.14 0.58 -0.48 -0.55 0.00 0.00 175.29 175.06 3inh s LEU 329 N -2.61 3.95 -0.01 3.68 0.05 -1.26 -4.05 118.68 118.42 3inh s LEU 329 Ca 0.55 0.49 0.08 0.00 0.05 0.00 0.00 54.13 55.30 3inh s LEU 329 Cb -0.14 -3.36 -0.02 0.00 -2.05 0.00 0.00 46.19 40.62 3inh s LEU 329 CO 0.18 -0.35 -0.25 0.54 -0.55 0.00 0.00 176.35 175.92 3inh s VAL 330 N -2.38 2.00 -0.05 1.48 0.11 -0.32 -4.92 120.40 116.32 3inh s VAL 330 Ca 0.41 -1.12 0.02 0.00 -2.93 0.00 0.00 61.98 58.36 3inh s VAL 330 Cb -0.10 -1.67 0.02 0.00 -1.53 0.00 0.00 36.38 33.10 3inh s VAL 330 CO 0.37 0.53 -0.08 0.00 -3.33 0.00 0.00 175.10 172.59 3inh n TRP 332 N 3.81 0.00 -3.70 0.00 8.01 -1.26 -4.99 117.44 119.31 3inh n TRP 332 Ca -0.23 0.00 -0.16 0.00 -1.31 0.00 0.00 57.50 55.80 3inh n TRP 332 Cb 0.52 0.00 -0.16 0.00 -2.01 0.00 0.00 31.31 29.66 3inh n TRP 332 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 3inh s GLN 333 N 1.66 0.03 -0.71 -0.99 -0.21 -1.26 -4.60 119.66 113.58 3inh s GLN 333 Ca 0.00 0.47 -0.08 0.00 0.02 0.00 0.00 55.36 55.77 3inh s GLN 333 Cb 0.00 -0.27 0.01 0.00 1.00 0.00 0.00 33.01 33.75 3inh s GLN 333 CO 0.00 -0.26 0.64 0.00 -2.12 0.00 0.00 175.29 173.54 3inh n ALA 334 N 4.95 -2.67 -1.75 6.09 0.00 -1.26 -3.10 120.51 122.77 3inh n ALA 334 Ca -0.12 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.25 3inh n ALA 334 Cb 0.50 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.55 3inh n ALA 334 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3inh n GLY 335 N -1.33 0.45 0.46 0.00 0.00 -1.26 -4.89 105.19 98.61 3inh n GLY 335 Ca -0.17 -0.62 0.09 0.00 0.00 0.00 0.00 46.02 45.32 3inh n GLY 335 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3inh n THR 336 N -3.48 0.00 -1.68 2.61 -2.24 -1.18 -4.99 114.28 103.32 3inh n THR 336 Ca -0.09 -0.33 -0.51 0.00 -2.27 0.00 0.00 64.05 60.86 3inh n THR 336 Cb 0.44 1.24 -0.06 0.00 -2.10 0.00 0.00 70.33 69.85 3inh n THR 336 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3inh n THR 337 N 0.05 0.36 -1.61 4.28 -1.04 -1.26 -4.85 114.28 110.21 3inh n THR 337 Ca 0.08 -0.06 -0.41 0.00 -2.04 0.00 0.00 64.05 61.61 3inh n THR 337 Cb 0.40 -1.52 -0.01 0.00 -1.82 0.00 0.00 70.33 67.38 3inh n THR 337 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3inh n PRO 338 N 5.38 2.97 -0.35 -2.82 -0.04 -1.26 -4.75 135.00 134.14 3inh n PRO 338 Ca 0.23 -2.48 0.07 0.00 -0.04 0.00 0.00 63.50 61.28 3inh n PRO 338 Cb 0.23 -3.17 0.25 0.00 -0.04 0.00 0.00 33.50 30.78 3inh n PRO 338 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3inh h TRP 339 N 5.86 1.11 0.00 0.54 4.06 -1.94 -1.68 115.95 123.90 3inh h TRP 339 Ca 0.63 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.61 3inh h TRP 339 Cb 0.56 -0.35 0.00 0.00 -1.00 0.00 0.00 29.16 28.37 3inh h TRP 339 CO 1.55 0.45 0.00 0.09 -3.56 0.00 0.00 178.44 176.97 3inh n ASN 340 N -4.60 0.00 0.04 -3.49 3.02 -1.26 -1.40 115.26 107.57 3inh n ASN 340 Ca 0.18 0.39 -0.08 0.00 -0.03 0.00 0.00 54.58 55.04 3inh n ASN 340 Cb 0.35 -0.43 -0.13 0.00 -0.61 0.00 0.00 39.78 38.97 3inh n ASN 340 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3inh h ILE 341 N 0.00 1.40 -3.34 2.41 2.04 -1.67 -3.45 117.51 114.90 3inh h ILE 341 Ca 0.00 -3.14 -0.56 0.00 1.00 0.00 0.00 64.86 62.16 3inh h ILE 341 Cb 0.11 2.71 -0.04 0.00 -0.74 0.00 0.00 36.82 38.86 3inh h ILE 341 CO 0.00 0.81 0.01 -0.36 0.00 0.00 0.00 178.15 178.61 3inh s PHE 342 N -2.67 3.77 0.59 1.37 0.08 -0.49 -3.62 117.98 117.02 3inh s PHE 342 Ca -0.02 1.32 -0.09 0.00 0.12 0.00 0.00 56.93 58.26 3inh s PHE 342 Cb 0.09 -2.54 -0.04 0.00 -0.57 0.00 0.00 43.02 39.97 3inh s PHE 342 CO 0.83 0.52 0.97 -1.25 -0.10 0.00 0.00 175.22 176.18 3inh s PRO 343 N -1.36 3.53 0.51 0.24 0.04 -1.26 -4.80 135.00 131.90 3inh s PRO 343 Ca 0.33 0.57 -0.14 0.00 0.04 0.00 0.00 61.00 61.81 3inh s PRO 343 Cb -0.19 -2.16 -0.07 0.00 0.04 0.00 0.00 34.50 32.12 3inh s PRO 343 CO 0.20 -0.50 0.94 0.14 0.04 0.00 0.00 177.00 177.82 3inh s VAL 344 N -3.07 4.63 -0.12 -0.36 -7.23 -1.26 -4.41 120.40 108.58 3inh s VAL 344 Ca 0.53 1.00 0.03 0.00 -1.81 0.00 0.00 61.98 61.73 3inh s VAL 344 Cb -0.11 -3.75 0.01 0.00 0.56 0.00 0.00 36.38 33.09 3inh s VAL 344 CO 0.51 -0.73 -0.22 -0.63 -0.31 0.00 0.00 175.10 173.72 3inh s ILE 345 N -2.66 1.99 -0.21 -0.62 1.01 -0.65 -0.92 121.20 119.13 3inh s ILE 345 Ca 0.56 -0.95 -0.03 0.00 0.00 0.00 0.00 60.65 60.23 3inh s ILE 345 Cb -0.10 -1.74 -0.01 0.00 0.01 0.00 0.00 42.46 40.62 3inh s ILE 345 CO 0.35 0.54 -0.06 -0.44 0.00 0.00 0.00 174.94 175.33 3inh s SER 346 N 0.63 4.22 -0.27 3.58 0.01 -0.19 -0.69 113.70 120.98 3inh s SER 346 Ca -0.12 -0.40 -0.10 0.00 1.31 0.00 0.00 55.95 56.64 3inh s SER 346 Cb -0.16 -1.72 -0.04 0.00 0.21 0.00 0.00 66.02 64.31 3inh s SER 346 CO 0.03 -0.01 0.15 -0.76 0.41 0.00 0.00 173.24 173.06 3inh s LEU 347 N 1.40 3.84 -0.26 2.44 1.02 -0.22 -1.61 118.68 125.29 3inh s LEU 347 Ca 0.05 -0.10 -0.17 0.00 0.02 0.00 0.00 54.13 53.93 3inh s LEU 347 Cb -0.14 -2.05 -0.03 0.00 0.02 0.00 0.00 46.19 43.99 3inh s LEU 347 CO -0.03 -0.05 0.48 -0.31 0.02 0.00 0.00 176.35 176.46 3inh s TYR 348 N 1.71 3.26 -0.07 0.29 1.51 0.62 -0.79 117.35 123.88 3inh s TYR 348 Ca 0.07 0.59 -0.04 0.00 -1.01 0.00 0.00 57.07 56.68 3inh s TYR 348 Cb -0.16 -2.69 -0.04 0.00 -0.11 0.00 0.00 41.96 38.97 3inh s TYR 348 CO 0.08 -0.27 0.10 -0.51 -1.11 0.00 0.00 175.55 173.84 3inh s LEU 349 N 2.25 4.08 0.30 -1.29 1.43 0.86 -0.63 118.68 125.67 3inh s LEU 349 Ca 0.20 0.30 -0.30 0.00 -1.03 0.00 0.00 54.13 53.30 3inh s LEU 349 Cb -0.16 -2.13 -0.12 0.00 0.03 0.00 0.00 46.19 43.82 3inh s LEU 349 CO 0.09 0.35 1.48 0.80 0.23 0.00 0.00 176.35 179.30 3inh n MET 350 N 1.70 2.42 -2.26 1.70 0.00 -0.06 -1.61 117.12 119.02 3inh n MET 350 Ca -0.17 0.86 -0.26 0.00 -0.00 0.00 0.00 57.70 58.12 3inh n MET 350 Cb 0.54 -2.56 0.14 0.00 0.00 0.00 0.00 33.22 31.33 3inh n MET 350 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3inh s GLY 351 N 0.20 1.76 0.49 -5.12 0.00 0.03 -4.13 107.32 100.56 3inh s GLY 351 Ca 0.62 -1.41 0.27 0.00 0.00 0.00 0.00 44.72 44.20 3inh s GLY 351 CO 0.54 -0.77 1.96 0.83 0.00 0.00 0.00 173.10 175.65 3inh h GLU 352 N -1.01 0.00 -5.43 2.90 5.08 -1.86 -3.41 114.58 110.85 3inh h GLU 352 Ca -0.41 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.35 3inh h GLU 352 Cb 1.26 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.40 3inh h GLU 352 CO 0.42 0.16 -0.18 0.08 -1.00 0.00 0.00 179.01 178.49 3inh s VAL 353 N -3.88 5.19 0.20 3.13 1.01 -1.26 -5.00 120.40 119.78 3inh s VAL 353 Ca -0.01 0.74 -0.19 0.00 0.00 0.00 0.00 61.98 62.52 3inh s VAL 353 Cb 0.11 -3.74 0.17 0.00 0.00 0.00 0.00 36.38 32.92 3inh s VAL 353 CO 0.60 0.24 1.46 0.41 0.00 0.00 0.00 175.10 177.81 3inh n THR 354 N 4.37 -0.53 0.63 3.92 -1.04 -1.26 -0.50 114.28 119.87 3inh n THR 354 Ca -0.08 2.22 0.06 0.00 -2.04 0.00 0.00 64.05 64.21 3inh n THR 354 Cb 0.51 -2.89 0.18 0.00 -1.82 0.00 0.00 70.33 66.31 3inh n THR 354 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3inh n ASN 355 N -5.34 2.32 -4.84 8.00 6.94 -1.26 -4.77 115.26 116.32 3inh n ASN 355 Ca 0.08 -2.08 -0.22 0.00 -0.02 0.00 0.00 54.58 52.34 3inh n ASN 355 Cb 0.35 -0.32 -0.04 0.00 -2.36 0.00 0.00 39.78 37.41 3inh n ASN 355 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3inh s GLN 356 N -1.55 2.93 0.18 -3.83 -0.21 0.34 -1.07 119.66 116.44 3inh s GLN 356 Ca 0.27 -1.07 -0.14 0.00 0.02 0.00 0.00 55.36 54.44 3inh s GLN 356 Cb 0.15 -2.57 0.01 0.00 1.00 0.00 0.00 33.01 31.60 3inh s GLN 356 CO 0.16 0.36 0.42 -1.54 -2.12 0.00 0.00 175.29 172.57 3inh s SER 357 N -3.87 -0.13 0.07 5.90 1.04 0.07 -0.79 113.70 115.99 3inh s SER 357 Ca 0.34 -0.64 0.03 0.00 0.48 0.00 0.00 55.95 56.16 3inh s SER 357 Cb -0.08 0.51 -0.03 0.00 0.10 0.00 0.00 66.02 66.53 3inh s SER 357 CO 0.25 -0.98 -0.09 0.72 0.98 0.00 0.00 173.24 174.13 3inh s PHE 358 N -3.91 0.86 -0.08 5.02 -0.12 -0.63 -0.02 117.98 119.09 3inh s PHE 358 Ca 0.12 -0.63 -0.00 0.00 -0.05 0.00 0.00 56.93 56.37 3inh s PHE 358 Cb 0.01 -0.49 -0.03 0.00 -0.63 0.00 0.00 43.02 41.88 3inh s PHE 358 CO -0.02 -0.07 -0.05 -0.98 -0.05 0.00 0.00 175.22 174.06 3inh s ARG 359 N -2.40 2.91 -0.19 1.99 1.70 0.20 -0.10 118.95 123.06 3inh s ARG 359 Ca -0.01 -0.51 -0.07 0.00 -0.47 0.00 0.00 55.73 54.68 3inh s ARG 359 Cb -0.05 -2.68 -0.04 0.00 -0.57 0.00 0.00 34.95 31.62 3inh s ARG 359 CO -0.01 0.63 0.05 0.96 -1.08 0.00 0.00 175.30 175.86 3inh s ILE 360 N -0.71 4.59 -0.19 4.99 -4.36 0.03 -1.39 121.20 124.16 3inh s ILE 360 Ca 0.11 -0.10 -0.03 0.00 -0.26 0.00 0.00 60.65 60.37 3inh s ILE 360 Cb -0.11 -3.07 -0.01 0.00 1.25 0.00 0.00 42.46 40.51 3inh s ILE 360 CO 0.02 0.45 -0.07 -0.89 0.24 0.00 0.00 174.94 174.69 3inh s THR 361 N 0.54 3.32 0.10 8.37 2.01 0.01 -1.06 115.64 128.94 3inh s THR 361 Ca 0.02 -0.53 0.06 0.00 0.31 0.00 0.00 61.69 61.55 3inh s THR 361 Cb -0.13 -2.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 3inh s THR 361 CO 0.01 0.46 -0.05 0.27 -0.69 0.00 0.00 174.62 174.62 3inh s ILE 362 N 1.07 3.68 0.38 1.82 -4.36 0.13 -2.30 121.20 121.62 3inh s ILE 362 Ca 0.01 -1.15 0.07 0.00 -0.26 0.00 0.00 60.65 59.31 3inh s ILE 362 Cb -0.15 -2.74 0.00 0.00 1.25 0.00 0.00 42.46 40.82 3inh s ILE 362 CO -0.01 0.10 0.53 -0.76 0.24 0.00 0.00 174.94 175.05 3inh s LEU 363 N -2.30 3.80 0.57 0.37 1.43 -1.26 -1.64 118.68 119.64 3inh s LEU 363 Ca 0.24 -0.28 0.26 0.00 -1.03 0.00 0.00 54.13 53.31 3inh s LEU 363 Cb -0.11 -2.72 1.60 0.00 0.03 0.00 0.00 46.19 44.98 3inh s LEU 363 CO 0.16 -0.62 2.16 -0.65 0.23 0.00 0.00 176.35 177.64 3inh h PRO 364 N 0.74 0.00 -0.01 1.29 0.11 -1.87 -0.21 132.00 132.04 3inh h PRO 364 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3inh h PRO 364 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 3inh h PRO 364 CO 0.49 0.00 0.03 1.96 -0.21 0.00 0.00 178.00 180.27 3inh h GLN 365 N 0.00 0.00 0.02 1.05 7.50 -1.92 0.36 115.11 122.12 3inh h GLN 365 Ca 0.05 0.00 -0.35 0.00 0.50 0.00 0.00 58.65 58.85 3inh h GLN 365 Cb 0.23 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 27.71 3inh h GLN 365 CO -0.00 0.00 -1.94 1.04 -1.50 0.00 0.00 178.83 176.43 3inh n GLN 366 N -3.43 0.61 0.00 1.46 6.02 -0.11 -4.49 117.38 117.44 3inh n GLN 366 Ca -0.03 0.38 0.14 0.00 -0.01 0.00 0.00 57.00 57.48 3inh n GLN 366 Cb 0.10 -1.63 0.57 0.00 1.02 0.00 0.00 30.24 30.30 3inh n GLN 366 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 177.06 178.53 3inh n TYR 367 N -4.09 0.00 -3.68 1.08 0.18 -1.09 -4.30 117.16 105.27 3inh n TYR 367 Ca -0.41 0.00 -0.38 0.00 1.88 0.00 0.00 57.90 58.98 3inh n TYR 367 Cb 0.84 -0.09 -0.10 0.00 -0.38 0.00 0.00 39.34 39.61 3inh n TYR 367 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3inh s LEU 368 N -2.28 5.28 -0.10 -3.48 1.43 0.10 -0.38 118.68 119.26 3inh s LEU 368 Ca 0.33 -1.83 -0.09 0.00 -1.03 0.00 0.00 54.13 51.51 3inh s LEU 368 Cb 0.20 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 3inh s LEU 368 CO 0.43 -0.57 0.21 0.00 0.23 0.00 0.00 176.35 176.65 3inh s ARG 369 N 1.28 3.63 0.53 1.70 1.70 -0.89 -4.74 118.95 122.17 3inh s ARG 369 Ca 0.05 0.01 -0.20 0.00 -0.47 0.00 0.00 55.73 55.12 3inh s ARG 369 Cb -0.24 -3.22 -0.06 0.00 -0.57 0.00 0.00 34.95 30.87 3inh s ARG 369 CO -0.02 0.71 1.14 -1.25 -1.08 0.00 0.00 175.30 174.81 3inh s PRO 370 N -0.91 3.39 0.00 3.89 0.04 -1.26 -0.78 135.00 139.37 3inh s PRO 370 Ca 0.17 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.87 3inh s PRO 370 Cb -0.13 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.34 3inh s PRO 370 CO 0.06 -0.83 0.00 0.00 0.04 0.00 0.00 177.00 176.27 3inh s TYR 382 N -1.14 1.36 -0.00 0.00 2.02 0.21 -4.93 117.35 114.87 3inh s TYR 382 Ca 0.00 -0.70 0.08 0.00 -0.37 0.00 0.00 57.07 56.08 3inh s TYR 382 Cb 0.00 -0.68 -0.02 0.00 -0.40 0.00 0.00 41.96 40.86 3inh s TYR 382 CO 0.00 0.14 -0.25 0.15 -1.57 0.00 0.00 175.55 174.02 3inh s LYS 383 N -3.58 1.97 -0.20 -0.62 1.02 0.04 -1.17 119.74 117.19 3inh s LYS 383 Ca 0.17 -0.95 -0.29 0.00 0.02 0.00 0.00 55.97 54.92 3inh s LYS 383 Cb 0.01 -1.96 -0.04 0.00 -0.52 0.00 0.00 37.83 35.32 3inh s LYS 383 CO 0.02 0.53 1.91 0.12 -0.92 0.00 0.00 175.35 177.01 3inh s PHE 384 N -0.64 1.60 -0.38 3.18 5.36 -1.26 -2.08 117.98 123.75 3inh s PHE 384 Ca 0.10 0.40 0.04 0.00 -0.96 0.00 0.00 56.93 56.51 3inh s PHE 384 Cb -0.10 -4.04 0.58 0.00 -0.34 0.00 0.00 43.02 39.12 3inh s PHE 384 CO -0.00 -3.74 1.76 0.00 -1.46 0.00 0.00 175.22 171.78 3inh n ALA 385 N 9.79 4.99 -3.33 11.12 0.00 0.49 -4.43 120.51 139.15 3inh n ALA 385 Ca 0.24 -2.38 -0.32 0.00 0.00 0.00 0.00 53.44 50.98 3inh n ALA 385 Cb 0.45 -1.35 -0.17 0.00 0.00 0.00 0.00 19.45 18.37 3inh n ALA 385 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3inh s ILE 386 N -2.77 2.06 0.16 0.00 1.01 -1.26 -1.67 121.20 118.73 3inh s ILE 386 Ca 0.48 -1.01 -0.02 0.00 0.00 0.00 0.00 60.65 60.10 3inh s ILE 386 Cb 0.40 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 3inh s ILE 386 CO 0.10 0.56 0.11 -0.94 0.00 0.00 0.00 174.94 174.77 3inh s SER 387 N 0.46 0.22 0.35 3.58 1.04 -0.60 -4.75 113.70 114.00 3inh s SER 387 Ca -0.16 -1.24 -0.25 0.00 0.48 0.00 0.00 55.95 54.78 3inh s SER 387 Cb -0.17 0.35 -0.10 0.00 0.10 0.00 0.00 66.02 66.19 3inh s SER 387 CO 0.06 -0.79 0.95 -1.58 0.98 0.00 0.00 173.24 172.86 3inh s GLN 388 N -4.08 4.49 0.03 4.02 0.74 -1.26 -1.04 119.66 122.55 3inh s GLN 388 Ca 0.29 1.28 0.04 0.00 0.05 0.00 0.00 55.36 57.03 3inh s GLN 388 Cb 0.07 -2.65 -0.02 0.00 1.10 0.00 0.00 33.01 31.51 3inh s GLN 388 CO 0.06 0.19 -0.12 0.45 -0.55 0.00 0.00 175.29 175.32 3inh s SER 389 N -1.75 1.46 0.00 6.67 0.15 0.93 -4.72 113.70 116.44 3inh s SER 389 Ca 0.53 -0.40 0.12 0.00 0.70 0.00 0.00 55.95 56.90 3inh s SER 389 Cb -0.16 -0.10 0.19 0.00 -1.71 0.00 0.00 66.02 64.24 3inh s SER 389 CO 0.21 0.03 1.04 -1.20 1.20 0.00 0.00 173.24 174.53 3inh n SER 390 N 2.08 2.42 -1.21 5.45 7.64 -1.26 -3.04 113.62 125.70 3inh n SER 390 Ca -0.17 -1.71 0.00 0.00 1.01 0.00 0.00 58.87 58.01 3inh n SER 390 Cb 0.55 -0.10 0.12 0.00 -1.01 0.00 0.00 64.21 63.77 3inh n SER 390 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3inh n THR 391 N 0.65 1.64 -0.18 0.44 -2.24 -1.26 -4.84 114.28 108.50 3inh n THR 391 Ca 0.09 -2.81 0.00 0.00 -2.27 0.00 0.00 64.05 59.06 3inh n THR 391 Cb 0.36 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 3inh n THR 391 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3inh n GLY 392 N -0.62 -3.48 3.74 3.38 0.00 -1.22 -4.54 105.19 102.45 3inh n GLY 392 Ca 0.19 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.87 3inh n GLY 392 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3inh s THR 393 N -0.85 4.09 -0.23 2.61 2.01 0.64 -4.31 115.64 119.60 3inh s THR 393 Ca 0.00 1.84 0.01 0.00 0.31 0.00 0.00 61.69 63.85 3inh s THR 393 Cb 0.00 -4.17 0.05 0.00 0.01 0.00 0.00 72.50 68.39 3inh s THR 393 CO 0.00 0.33 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.48 3inh s VAL 394 N -0.37 1.75 -0.90 3.82 1.01 0.57 -1.51 120.40 124.77 3inh s VAL 394 Ca 0.47 -1.25 -0.22 0.00 0.00 0.00 0.00 61.98 60.98 3inh s VAL 394 Cb -0.27 -1.89 0.08 0.00 0.00 0.00 0.00 36.38 34.29 3inh s VAL 394 CO 0.33 0.03 1.25 -0.04 0.00 0.00 0.00 175.10 176.67 3inh s MET 395 N 1.32 3.47 0.00 2.72 -1.94 0.17 -1.18 119.30 123.86 3inh s MET 395 Ca -0.05 -1.19 0.00 0.00 -1.71 0.00 0.00 55.69 52.74 3inh s MET 395 Cb -0.18 -4.90 0.00 0.00 2.01 0.00 0.00 34.83 31.76 3inh s MET 395 CO -0.07 -1.99 0.00 0.41 -0.01 0.00 0.00 175.02 173.36 3inh n GLY 396 N 6.00 0.49 0.29 -0.03 0.00 -1.07 -1.34 105.19 109.53 3inh n GLY 396 Ca 0.21 -1.87 0.06 0.00 0.00 0.00 0.00 46.02 44.42 3inh n GLY 396 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3inh h ALA 397 N -1.12 1.15 0.00 4.61 0.00 0.06 -1.12 119.26 122.84 3inh h ALA 397 Ca 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3inh h ALA 397 Cb 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3inh h ALA 397 CO 0.00 -0.18 -0.18 -0.39 0.00 0.00 0.00 179.25 178.50 3inh h VAL 398 N 0.50 0.79 0.04 0.00 -1.51 -1.63 0.13 116.25 114.56 3inh h VAL 398 Ca 0.44 -0.70 -0.12 0.00 -1.23 0.00 0.00 66.70 65.09 3inh h VAL 398 Cb 0.66 1.42 0.01 0.00 -2.13 0.00 0.00 31.29 31.25 3inh h VAL 398 CO -0.40 0.17 -0.48 0.40 -1.23 0.00 0.00 177.57 176.04 3inh h ILE 399 N 0.00 1.53 0.00 7.19 1.08 -1.51 -3.32 117.51 122.48 3inh h ILE 399 Ca -0.00 -2.20 -0.03 0.00 -0.39 0.00 0.00 64.86 62.24 3inh h ILE 399 Cb 0.41 2.91 -0.00 0.00 -3.07 0.00 0.00 36.82 37.07 3inh h ILE 399 CO 0.02 0.61 -0.14 0.24 -0.69 0.00 0.00 178.15 178.19 3inh h MET 400 N -0.41 0.00 0.00 2.37 2.86 -0.59 -3.06 114.93 116.11 3inh h MET 400 Ca -0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3inh h MET 400 Cb 1.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.93 3inh h MET 400 CO 0.09 0.14 0.00 0.39 1.06 0.00 0.00 176.91 178.60 3inh n GLU 401 N -3.62 0.15 0.00 1.72 1.02 0.38 -1.24 120.64 119.05 3inh n GLU 401 Ca -0.01 0.46 0.13 0.00 -0.02 0.00 0.00 57.16 57.72 3inh n GLU 401 Cb 0.27 -1.84 0.46 0.00 -0.02 0.00 0.00 31.44 30.31 3inh n GLU 401 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3inh n GLY 402 N -0.40 -1.40 3.16 0.62 0.00 -1.16 -4.47 105.19 101.54 3inh n GLY 402 Ca 0.01 -0.20 -0.08 0.00 0.00 0.00 0.00 46.02 45.75 3inh n GLY 402 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3inh s PHE 403 N -3.01 0.37 -0.29 1.61 0.40 -0.38 -2.58 117.98 114.12 3inh s PHE 403 Ca 0.13 -0.85 -0.20 0.00 -0.60 0.00 0.00 56.93 55.41 3inh s PHE 403 Cb 0.18 -0.23 -0.01 0.00 0.51 0.00 0.00 43.02 43.47 3inh s PHE 403 CO 0.60 -0.48 0.63 -0.47 0.70 0.00 0.00 175.22 176.20 3inh s TYR 404 N -3.91 3.24 -0.23 0.36 5.04 0.66 -4.37 117.35 118.15 3inh s TYR 404 Ca 0.08 0.67 -0.04 0.00 -2.44 0.00 0.00 57.07 55.34 3inh s TYR 404 Cb 0.06 -2.93 -0.01 0.00 0.35 0.00 0.00 41.96 39.43 3inh s TYR 404 CO -0.09 -0.42 -0.02 0.08 -1.34 0.00 0.00 175.55 173.76 3inh s VAL 405 N 2.57 3.48 -0.32 3.14 1.01 -0.44 -1.86 120.40 127.98 3inh s VAL 405 Ca 0.25 -0.51 -0.11 0.00 0.00 0.00 0.00 61.98 61.62 3inh s VAL 405 Cb -0.15 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 3inh s VAL 405 CO 0.11 0.38 0.20 -0.69 0.00 0.00 0.00 175.10 175.09 3inh s VAL 406 N 1.49 4.98 -1.07 2.92 1.01 0.92 -0.50 120.40 130.14 3inh s VAL 406 Ca 0.05 -0.27 -0.15 0.00 0.00 0.00 0.00 61.98 61.62 3inh s VAL 406 Cb -0.15 -3.53 0.18 0.00 0.00 0.00 0.00 36.38 32.88 3inh s VAL 406 CO -0.02 0.05 1.23 -0.36 0.00 0.00 0.00 175.10 176.00 3inh s PHE 407 N 1.68 3.53 -1.31 5.22 0.40 0.57 -0.07 117.98 128.00 3inh s PHE 407 Ca 0.06 -1.99 -0.15 0.00 -0.60 0.00 0.00 56.93 54.25 3inh s PHE 407 Cb -0.17 -4.18 0.10 0.00 0.51 0.00 0.00 43.02 39.27 3inh s PHE 407 CO 0.09 -1.32 1.77 -3.47 0.70 0.00 0.00 175.22 172.99 3inh n ASP 408 N 5.30 4.83 -0.06 1.36 -0.08 -0.20 -2.64 116.55 125.06 3inh n ASP 408 Ca 0.29 -2.94 0.02 0.00 -1.51 0.00 0.00 54.79 50.65 3inh n ASP 408 Cb 0.45 -1.66 0.33 0.00 2.34 0.00 0.00 41.12 42.58 3inh n ASP 408 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 3inh h ARG 409 N 7.01 0.66 -0.27 -0.67 3.08 -1.75 -1.63 114.38 120.81 3inh h ARG 409 Ca 0.43 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.42 3inh h ARG 409 Cb 0.81 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 3inh h ARG 409 CO 1.50 0.50 0.18 0.00 -1.07 0.00 0.00 179.97 181.08 3inh h ALA 410 N 1.61 1.81 -0.12 0.04 0.00 -1.61 -2.68 119.26 118.31 3inh h ALA 410 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3inh h ALA 410 Cb 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3inh h ALA 410 CO -0.03 0.18 0.00 0.54 0.00 0.00 0.00 179.25 179.94 3inh n ARG 411 N -4.50 2.10 -3.97 0.00 1.74 -0.93 -5.00 116.66 106.09 3inh n ARG 411 Ca 0.01 -2.60 -0.31 0.00 -0.77 0.00 0.00 57.85 54.18 3inh n ARG 411 Cb 0.07 -1.60 -0.01 0.00 -1.02 0.00 0.00 32.46 29.90 3inh n ARG 411 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3inh n LYS 412 N -0.94 -1.93 -3.69 5.56 5.02 -0.68 -4.90 118.16 116.60 3inh n LYS 412 Ca 0.17 0.31 -0.12 0.00 -2.02 0.00 0.00 58.31 56.65 3inh n LYS 412 Cb 0.71 -3.95 -0.06 0.00 -0.02 0.00 0.00 35.03 31.70 3inh n LYS 412 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3inh s ARG 413 N -6.70 0.91 -0.14 1.97 1.70 -0.84 -0.91 118.95 114.95 3inh s ARG 413 Ca 0.19 -0.50 0.02 0.00 -0.47 0.00 0.00 55.73 54.98 3inh s ARG 413 Cb -0.08 0.40 0.01 0.00 -0.57 0.00 0.00 34.95 34.71 3inh s ARG 413 CO 0.91 -0.32 -0.21 0.42 -1.08 0.00 0.00 175.30 175.03 3inh s ILE 414 N -2.81 1.97 -0.05 4.99 1.01 0.49 -1.03 121.20 125.77 3inh s ILE 414 Ca -0.03 -0.92 -0.05 0.00 0.00 0.00 0.00 60.65 59.65 3inh s ILE 414 Cb -0.00 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.67 3inh s ILE 414 CO -0.05 0.53 0.19 -0.83 0.00 0.00 0.00 174.94 174.78 3inh s GLY 415 N 0.91 2.19 -0.04 6.18 0.00 0.90 -0.88 107.32 116.58 3inh s GLY 415 Ca -0.05 -0.67 0.05 0.00 0.00 0.00 0.00 44.72 44.04 3inh s GLY 415 CO -0.03 -0.48 -0.18 -1.36 0.00 0.00 0.00 173.10 171.05 3inh s PHE 416 N -1.20 1.74 0.04 1.90 0.08 0.89 -0.06 117.98 121.38 3inh s PHE 416 Ca 0.23 -0.49 -0.08 0.00 0.12 0.00 0.00 56.93 56.71 3inh s PHE 416 Cb -0.13 -1.17 -0.00 0.00 -0.57 0.00 0.00 43.02 41.15 3inh s PHE 416 CO 0.13 -0.16 0.16 0.00 -0.10 0.00 0.00 175.22 175.25 3inh s ALA 417 N -0.02 -0.25 0.14 5.36 0.00 -0.78 -0.72 121.76 125.50 3inh s ALA 417 Ca -0.03 -0.40 -0.31 0.00 0.00 0.00 0.00 51.96 51.22 3inh s ALA 417 Cb -0.11 0.29 -0.10 0.00 0.00 0.00 0.00 23.12 23.19 3inh s ALA 417 CO 0.02 -0.36 1.75 0.08 0.00 0.00 0.00 175.76 177.25 3inh s VAL 418 N -2.72 2.47 0.41 0.00 1.01 -1.24 -0.24 120.40 120.08 3inh s VAL 418 Ca -0.04 0.13 -0.24 0.00 0.00 0.00 0.00 61.98 61.84 3inh s VAL 418 Cb -0.00 -3.09 -0.09 0.00 0.00 0.00 0.00 36.38 33.20 3inh s VAL 418 CO -0.05 0.00 1.08 -0.55 0.00 0.00 0.00 175.10 175.59 3inh s SER 419 N 2.10 6.63 0.03 3.32 0.15 -1.06 -1.60 113.70 123.26 3inh s SER 419 Ca 0.77 2.12 0.19 0.00 0.70 0.00 0.00 55.95 59.73 3inh s SER 419 Cb -0.46 -2.59 0.80 0.00 -1.71 0.00 0.00 66.02 62.06 3inh s SER 419 CO 0.34 -0.59 1.61 0.00 1.20 0.00 0.00 173.24 175.80 3inh n ALA 420 N -0.13 1.84 0.31 5.45 0.00 -0.43 -3.54 120.51 124.01 3inh n ALA 420 Ca 0.05 -0.05 0.03 0.00 0.00 0.00 0.00 53.44 53.47 3inh n ALA 420 Cb 0.49 -1.31 -0.04 0.00 0.00 0.00 0.00 19.45 18.59 3inh n ALA 420 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3inh n HIS 422 N -1.15 2.03 -2.97 0.00 -0.00 -1.23 -4.97 115.22 106.94 3inh n HIS 422 Ca 0.01 0.46 -0.36 0.00 -0.00 0.00 0.00 57.72 57.83 3inh n HIS 422 Cb 0.10 -2.34 -0.06 0.00 -0.00 0.00 0.00 29.99 27.69 3inh n HIS 422 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3inh s VAL 423 N -1.29 4.43 -0.11 0.61 1.01 -1.26 -5.03 120.40 118.76 3inh s VAL 423 Ca 0.68 1.49 -0.30 0.00 0.00 0.00 0.00 61.98 63.85 3inh s VAL 423 Cb -0.45 -3.91 0.12 0.00 0.00 0.00 0.00 36.38 32.14 3inh s VAL 423 CO 0.52 0.16 0.98 -1.38 0.00 0.00 0.00 175.10 175.38 3inh s HIS 424 N -1.59 -0.34 0.00 5.22 -0.00 -1.26 -4.69 115.29 112.64 3inh s HIS 424 Ca 0.47 0.43 0.00 0.00 -0.00 0.00 0.00 55.06 55.96 3inh s HIS 424 Cb -0.17 0.49 0.00 0.00 -0.00 0.00 0.00 32.58 32.90 3inh s HIS 424 CO 0.22 -0.40 0.00 -0.40 -0.00 0.00 0.00 174.74 174.16 3inh n ASP 425 N 0.31 0.00 -1.54 7.38 3.85 -1.18 -5.00 116.55 120.37 3inh n ASP 425 Ca -0.09 -0.28 0.07 0.00 -0.71 0.00 0.00 54.79 53.79 3inh n ASP 425 Cb 0.59 0.00 0.33 0.00 -1.35 0.00 0.00 41.12 40.69 3inh n ASP 425 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3inh n GLU 426 N -0.28 3.79 0.00 0.11 -0.58 -1.26 -4.12 120.64 118.31 3inh n GLU 426 Ca 0.00 -2.58 0.00 0.00 -0.42 0.00 0.00 57.16 54.16 3inh n GLU 426 Cb 0.00 -1.96 0.00 0.00 -0.57 0.00 0.00 31.44 28.91 3inh n GLU 426 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3inh n PHE 427 N 0.78 0.00 -4.01 -0.32 3.01 -1.26 -5.09 117.46 110.57 3inh n PHE 427 Ca 0.23 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.60 3inh n PHE 427 Cb 0.91 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 40.27 3inh n PHE 427 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3inh s ARG 428 N -1.22 0.38 0.02 -1.08 0.52 -1.26 -5.16 118.95 111.14 3inh s ARG 428 Ca 0.00 -0.70 -0.04 0.00 -0.52 0.00 0.00 55.73 54.47 3inh s ARG 428 Cb 0.00 0.06 -0.01 0.00 0.52 0.00 0.00 34.95 35.52 3inh s ARG 428 CO 0.00 -0.04 0.06 0.95 0.02 0.00 0.00 175.30 176.29 3inh s THR 429 N -1.72 0.10 0.64 0.02 -4.23 -1.26 -3.10 115.64 106.10 3inh s THR 429 Ca -0.13 -0.86 -0.18 0.00 -1.18 0.00 0.00 61.69 59.35 3inh s THR 429 Cb -0.08 -0.44 -0.03 0.00 1.34 0.00 0.00 72.50 73.30 3inh s THR 429 CO -0.02 -0.47 1.04 0.00 -0.54 0.00 0.00 174.62 174.63 3inh n ALA 430 N 1.40 0.32 -2.91 3.99 0.00 -1.26 -4.94 120.51 117.11 3inh n ALA 430 Ca -0.23 -0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.07 3inh n ALA 430 Cb 0.56 -2.16 -0.09 0.00 0.00 0.00 0.00 19.45 17.75 3inh n ALA 430 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3inh s ALA 431 N -1.55 -0.31 -0.17 0.00 0.00 -0.97 -4.97 121.76 113.79 3inh s ALA 431 Ca 0.78 -0.27 -0.01 0.00 0.00 0.00 0.00 51.96 52.45 3inh s ALA 431 Cb -0.39 0.22 0.05 0.00 0.00 0.00 0.00 23.12 23.00 3inh s ALA 431 CO 0.46 -0.31 -0.02 0.08 0.00 0.00 0.00 175.76 175.97 3inh s VAL 432 N -2.20 0.88 -0.01 0.00 1.01 -1.26 -0.81 120.40 118.01 3inh s VAL 432 Ca -0.08 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.33 3inh s VAL 432 Cb -0.03 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.19 3inh s VAL 432 CO -0.02 0.01 -0.02 -1.61 0.00 0.00 0.00 175.10 173.46 3inh s GLU 433 N 1.72 0.31 0.16 2.72 2.02 -0.49 -4.87 118.70 120.28 3inh s GLU 433 Ca 0.00 -0.05 -0.24 0.00 0.02 0.00 0.00 54.97 54.70 3inh s GLU 433 Cb -0.16 -0.37 0.07 0.00 0.10 0.00 0.00 34.13 33.77 3inh s GLU 433 CO -0.07 -0.01 0.99 0.20 0.02 0.00 0.00 175.26 176.39 3inh s GLY 434 N 0.36 -0.13 0.35 -1.39 0.00 -1.26 -0.63 107.32 104.62 3inh s GLY 434 Ca -0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 44.72 44.67 3inh s GLY 434 CO -0.01 0.62 0.59 2.56 0.00 0.00 0.00 173.10 176.86 3inh s PRO 435 N -2.92 3.53 -0.12 2.90 0.04 -1.26 -5.09 135.00 132.07 3inh s PRO 435 Ca 0.15 -0.16 0.03 0.00 0.04 0.00 0.00 61.00 61.06 3inh s PRO 435 Cb -0.02 -2.61 0.01 0.00 0.04 0.00 0.00 34.50 31.92 3inh s PRO 435 CO 0.03 0.11 -0.22 -0.06 0.04 0.00 0.00 177.00 176.90 3inh s PHE 436 N -2.33 2.55 -0.02 0.56 0.40 0.98 -4.94 117.98 115.18 3inh s PHE 436 Ca 0.42 -1.21 -0.01 0.00 -0.60 0.00 0.00 56.93 55.53 3inh s PHE 436 Cb -0.10 -1.74 -0.04 0.00 0.51 0.00 0.00 43.02 41.66 3inh s PHE 436 CO 0.36 -0.54 0.09 0.08 0.70 0.00 0.00 175.22 175.91 3inh s VAL 437 N 0.69 4.82 0.34 -0.44 1.01 -1.26 -0.75 120.40 124.80 3inh s VAL 437 Ca -0.10 -0.34 0.09 0.00 0.00 0.00 0.00 61.98 61.62 3inh s VAL 437 Cb -0.16 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 3inh s VAL 437 CO 0.01 0.38 0.03 0.42 0.00 0.00 0.00 175.10 175.94 3inh s THR 438 N -1.18 2.72 -1.78 3.92 -4.23 -0.23 -5.02 115.64 109.84 3inh s THR 438 Ca 0.22 -1.93 0.29 0.00 -1.18 0.00 0.00 61.69 59.09 3inh s THR 438 Cb -0.12 -2.82 0.49 0.00 1.34 0.00 0.00 72.50 71.39 3inh s THR 438 CO 0.13 -0.21 1.85 0.00 -0.54 0.00 0.00 174.62 175.86 3inh n LEU 439 N -0.98 0.59 0.00 4.79 -0.00 -1.26 -4.90 117.00 115.23 3inh n LEU 439 Ca -0.04 -0.07 0.00 0.00 -0.00 0.00 0.00 56.01 55.90 3inh n LEU 439 Cb 0.62 -0.14 0.00 0.00 -0.00 0.00 0.00 43.42 43.90 3inh n LEU 439 CO 0.43 0.11 0.00 -0.90 -0.00 0.00 0.00 177.39 177.02 3inh n ASP 443 N -0.81 0.00 0.03 1.45 5.68 -1.26 -5.16 116.55 116.48 3inh n ASP 443 Ca 0.16 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.55 3inh n ASP 443 Cb 0.28 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.16 3inh n ASP 443 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3inh s GLY 445 N -4.50 2.94 -0.93 0.00 0.00 -1.26 -3.87 107.32 99.69 3inh s GLY 445 Ca -0.05 1.27 -0.12 0.00 0.00 0.00 0.00 44.72 45.82 3inh s GLY 445 CO 0.86 1.88 0.89 -0.47 0.00 0.00 0.00 173.10 176.25 3inh s TYR 446 N -1.23 3.92 0.86 1.90 5.04 -1.25 -4.95 117.35 121.64 3inh s TYR 446 Ca 0.56 -2.22 -0.19 0.00 -2.44 0.00 0.00 57.07 52.78 3inh s TYR 446 Cb -0.39 -3.84 -0.15 0.00 0.35 0.00 0.00 41.96 37.93 3inh s TYR 446 CO 0.51 -0.99 -1.02 0.09 -1.34 0.00 0.00 175.55 172.80 3inh n ASN 447 N 3.61 -3.90 0.00 4.32 4.13 -1.26 -4.83 115.26 117.33 3inh n ASN 447 Ca 0.18 0.08 0.00 0.00 1.68 0.00 0.00 54.58 56.51 3inh n ASN 447 Cb 0.44 -0.54 0.00 0.00 -1.54 0.00 0.00 39.78 38.14 3inh n ASN 447 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16