#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c4i s GLN 6 N 0.00 3.60 0.86 -2.82 1.11 -1.26 -4.99 119.66 116.16 2c4i s GLN 6 Ca 0.00 1.70 -0.13 0.00 0.01 0.00 0.00 55.36 56.94 2c4i s GLN 6 Cb 0.00 -2.25 0.13 0.00 -1.01 0.00 0.00 33.01 29.88 2c4i s GLN 6 CO 0.00 -0.66 1.23 -2.14 0.01 0.00 0.00 175.29 173.72 2c4i s PRO 7 N -2.93 1.43 0.38 2.91 0.02 -1.26 -4.66 135.00 130.89 2c4i s PRO 7 Ca 0.67 -0.15 -0.05 0.00 0.02 0.00 0.00 61.00 61.50 2c4i s PRO 7 Cb -0.26 -1.93 -0.04 0.00 0.02 0.00 0.00 34.50 32.28 2c4i s PRO 7 CO 0.31 -1.91 0.66 0.95 -0.33 0.00 0.00 177.00 176.68 2c4i s THR 8 N -3.68 4.97 0.10 0.99 -4.23 -1.26 -3.82 115.64 108.71 2c4i s THR 8 Ca 0.67 0.07 -0.05 0.00 -1.18 0.00 0.00 61.69 61.20 2c4i s THR 8 Cb -0.08 -3.80 -0.02 0.00 1.34 0.00 0.00 72.50 69.94 2c4i s THR 8 CO 0.50 -0.57 0.12 0.72 -0.54 0.00 0.00 174.62 174.85 2c4i s PHE 9 N -2.38 0.45 0.04 3.99 -0.12 -0.66 -0.43 117.98 118.87 2c4i s PHE 9 Ca 0.45 -0.89 -0.02 0.00 -0.05 0.00 0.00 56.93 56.42 2c4i s PHE 9 Cb -0.10 -0.24 -0.03 0.00 -0.63 0.00 0.00 43.02 42.02 2c4i s PHE 9 CO 0.36 -0.53 0.00 0.20 -0.05 0.00 0.00 175.22 175.21 2c4i s GLY 10 N -2.94 0.35 0.10 1.99 0.00 -0.38 -1.46 107.32 104.98 2c4i s GLY 10 Ca 0.12 -0.93 -0.11 0.00 0.00 0.00 0.00 44.72 43.80 2c4i s GLY 10 CO -0.06 -1.04 0.25 -0.11 0.00 0.00 0.00 173.10 172.13 2c4i s PHE 11 N -3.17 0.05 -0.14 1.90 -0.12 0.03 -1.17 117.98 115.36 2c4i s PHE 11 Ca -0.00 -0.44 -0.01 0.00 -0.05 0.00 0.00 56.93 56.43 2c4i s PHE 11 Cb 0.02 0.03 -0.02 0.00 -0.63 0.00 0.00 43.02 42.43 2c4i s PHE 11 CO -0.07 -0.58 -0.11 0.99 -0.05 0.00 0.00 175.22 175.39 2c4i s THR 12 N -3.80 3.17 -0.36 -4.49 2.01 0.05 -0.54 115.64 111.68 2c4i s THR 12 Ca 0.04 -0.61 -0.12 0.00 0.31 0.00 0.00 61.69 61.31 2c4i s THR 12 Cb 0.04 -2.35 0.00 0.00 0.01 0.00 0.00 72.50 70.20 2c4i s THR 12 CO -0.11 0.51 0.23 -0.69 -0.69 0.00 0.00 174.62 173.87 2c4i s VAL 13 N 0.45 4.95 -1.11 3.82 1.01 0.80 -1.58 120.40 128.74 2c4i s VAL 13 Ca -0.09 -0.52 -0.19 0.00 0.00 0.00 0.00 61.98 61.19 2c4i s VAL 13 Cb -0.16 -3.64 0.10 0.00 0.00 0.00 0.00 36.38 32.68 2c4i s VAL 13 CO 0.04 -0.12 1.43 0.21 0.00 0.00 0.00 175.10 176.67 2c4i s ASN 14 N 1.65 6.75 0.25 3.32 2.47 -0.49 -2.46 114.94 126.43 2c4i s ASN 14 Ca 0.05 -2.21 -0.31 0.00 0.42 0.00 0.00 52.86 50.81 2c4i s ASN 14 Cb -0.18 -2.49 -0.12 0.00 -1.45 0.00 0.00 41.25 37.01 2c4i s ASN 14 CO 0.08 -1.13 1.60 0.79 -3.72 0.00 0.00 177.10 174.72 2c4i n TRP 15 N 7.40 2.67 0.43 0.43 7.02 -1.24 -4.10 117.44 130.06 2c4i n TRP 15 Ca 0.35 0.23 0.12 0.00 -1.02 0.00 0.00 57.50 57.18 2c4i n TRP 15 Cb 0.47 -2.59 0.19 0.00 -2.42 0.00 0.00 31.31 26.96 2c4i n TRP 15 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2c4i n LYS 16 N 2.73 2.47 0.00 -0.99 4.76 -1.26 -4.33 118.16 121.54 2c4i n LYS 16 Ca 0.12 -2.22 0.00 0.00 -2.87 0.00 0.00 58.31 53.33 2c4i n LYS 16 Cb 0.35 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.03 2c4i n LYS 16 CO 0.00 0.00 0.00 1.97 -1.37 0.00 0.00 177.40 178.00 2c4i n PHE 17 N 1.47 0.00 -3.99 2.13 1.16 -1.26 -4.91 117.46 112.05 2c4i n PHE 17 Ca 0.18 -0.14 -0.11 0.00 -1.87 0.00 0.00 57.45 55.51 2c4i n PHE 17 Cb 0.61 -0.01 -0.03 0.00 -1.61 0.00 0.00 39.48 38.43 2c4i n PHE 17 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 2c4i s SER 18 N -0.28 0.37 -0.02 5.98 1.04 -1.26 -4.74 113.70 114.79 2c4i s SER 18 Ca 0.00 -1.22 0.12 0.00 0.48 0.00 0.00 55.95 55.33 2c4i s SER 18 Cb 0.00 0.68 0.37 0.00 0.10 0.00 0.00 66.02 67.18 2c4i s SER 18 CO 0.00 -1.34 1.28 -0.62 0.98 0.00 0.00 173.24 173.54 2c4i n GLU 19 N -0.50 2.12 -2.58 4.02 1.02 -1.26 -4.63 120.64 118.83 2c4i n GLU 19 Ca -0.02 -1.50 -0.24 0.00 -0.02 0.00 0.00 57.16 55.37 2c4i n GLU 19 Cb 0.61 -1.41 0.03 0.00 -0.02 0.00 0.00 31.44 30.66 2c4i n GLU 19 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2c4i s SER 20 N -0.91 5.49 0.00 1.62 0.01 -1.26 -4.28 113.70 114.37 2c4i s SER 20 Ca 0.28 0.42 0.01 0.00 1.31 0.00 0.00 55.95 57.97 2c4i s SER 20 Cb 0.15 -1.42 -0.01 0.00 0.21 0.00 0.00 66.02 64.96 2c4i s SER 20 CO 0.17 -1.05 -0.05 -0.89 0.41 0.00 0.00 173.24 171.83 2c4i s THR 21 N -2.86 0.37 -0.05 1.44 2.01 -0.39 -3.65 115.64 112.52 2c4i s THR 21 Ca 0.54 -0.33 0.06 0.00 0.31 0.00 0.00 61.69 62.27 2c4i s THR 21 Cb -0.10 -0.34 -0.02 0.00 0.01 0.00 0.00 72.50 72.04 2c4i s THR 21 CO 0.42 0.02 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.27 2c4i s THR 22 N -0.31 2.46 0.01 -0.82 2.01 -1.03 -0.28 115.64 117.68 2c4i s THR 22 Ca -0.00 -0.94 0.05 0.00 0.31 0.00 0.00 61.69 61.11 2c4i s THR 22 Cb -0.03 -1.92 -0.03 0.00 0.01 0.00 0.00 72.50 70.53 2c4i s THR 22 CO -0.00 0.58 -0.14 0.68 -0.69 0.00 0.00 174.62 175.05 2c4i s VAL 23 N -0.47 3.12 -0.00 3.82 -7.23 -0.08 -0.14 120.40 119.41 2c4i s VAL 23 Ca 0.06 -0.94 0.06 0.00 -1.81 0.00 0.00 61.98 59.35 2c4i s VAL 23 Cb -0.12 -2.30 -0.02 0.00 0.56 0.00 0.00 36.38 34.50 2c4i s VAL 23 CO 0.01 0.42 -0.20 -0.36 -0.31 0.00 0.00 175.10 174.66 2c4i s PHE 24 N -0.90 1.78 0.02 2.82 0.08 0.30 -1.45 117.98 120.63 2c4i s PHE 24 Ca 0.15 -0.34 -0.04 0.00 0.12 0.00 0.00 56.93 56.82 2c4i s PHE 24 Cb -0.11 -1.13 -0.01 0.00 -0.57 0.00 0.00 43.02 41.20 2c4i s PHE 24 CO 0.05 -0.01 0.05 -0.08 -0.10 0.00 0.00 175.22 175.13 2c4i s THR 25 N -0.53 0.11 -1.90 0.64 -1.32 0.03 -0.79 115.64 111.87 2c4i s THR 25 Ca 0.08 -0.95 0.00 0.00 -1.21 0.00 0.00 61.69 59.61 2c4i s THR 25 Cb -0.08 -0.55 0.00 0.00 -1.51 0.00 0.00 72.50 70.36 2c4i s THR 25 CO -0.00 -0.52 0.00 0.61 -2.21 0.00 0.00 174.62 172.50 2c4i n GLY 26 N 1.25 -0.70 3.43 6.08 0.00 -0.53 -1.05 105.19 113.67 2c4i n GLY 26 Ca -0.22 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 2c4i n GLY 26 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2c4i s GLN 27 N -0.84 0.61 0.09 1.61 0.74 -0.69 -1.65 119.66 119.52 2c4i s GLN 27 Ca 0.00 0.75 -0.23 0.00 0.05 0.00 0.00 55.36 55.92 2c4i s GLN 27 Cb 0.00 0.28 -0.07 0.00 1.10 0.00 0.00 33.01 34.33 2c4i s GLN 27 CO 0.00 -0.08 0.71 0.00 -0.55 0.00 0.00 175.29 175.37 2c4i s PHE 29 N -0.68 1.75 -0.89 0.00 0.08 -0.03 -4.30 117.98 113.91 2c4i s PHE 29 Ca 0.35 -0.43 -0.08 0.00 0.12 0.00 0.00 56.93 56.89 2c4i s PHE 29 Cb -0.21 -1.15 0.23 0.00 -0.57 0.00 0.00 43.02 41.31 2c4i s PHE 29 CO 0.23 -0.11 0.82 0.42 -0.10 0.00 0.00 175.22 176.48 2c4i s ILE 30 N -0.19 5.09 0.00 0.64 1.01 -1.26 -0.76 121.20 125.73 2c4i s ILE 30 Ca 0.01 -3.19 0.00 0.00 0.00 0.00 0.00 60.65 57.47 2c4i s ILE 30 Cb -0.10 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.24 2c4i s ILE 30 CO 0.01 -1.06 0.00 -0.67 0.00 0.00 0.00 174.94 173.21 2c4i n ASP 31 N 3.09 0.00 -3.10 3.58 2.03 -1.03 -4.82 116.55 116.30 2c4i n ASP 31 Ca 0.18 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 55.06 2c4i n ASP 31 Cb 0.41 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.72 2c4i n ASP 31 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2c4i n ARG 32 N 0.00 0.00 -3.06 -0.67 0.63 -1.26 -2.90 116.66 109.40 2c4i n ARG 32 Ca 0.00 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.80 2c4i n ARG 32 Cb 0.00 -1.09 -0.02 0.00 0.45 0.00 0.00 32.46 31.80 2c4i n ARG 32 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2c4i n ASN 33 N 5.60 -1.58 0.00 6.15 3.02 -1.26 0.20 115.26 127.39 2c4i n ASN 33 Ca 0.41 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.95 2c4i n ASN 33 Cb -0.03 -1.44 0.00 0.00 -0.61 0.00 0.00 39.78 37.70 2c4i n ASN 33 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c4i n GLY 34 N -0.70 0.99 3.79 7.41 0.00 -1.14 -5.06 105.19 110.48 2c4i n GLY 34 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 2c4i n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c4i s LYS 35 N -0.60 4.17 -0.02 1.61 1.02 0.54 -4.87 119.74 121.60 2c4i s LYS 35 Ca 0.00 1.39 -0.05 0.00 0.02 0.00 0.00 55.97 57.33 2c4i s LYS 35 Cb 0.00 -2.44 -0.04 0.00 -0.52 0.00 0.00 37.83 34.82 2c4i s LYS 35 CO 0.00 -0.11 0.21 -1.21 -0.92 0.00 0.00 175.35 173.32 2c4i s GLU 36 N -2.67 3.50 -0.02 1.68 2.02 -1.26 -2.47 118.70 119.48 2c4i s GLU 36 Ca 0.59 -0.19 -0.01 0.00 0.02 0.00 0.00 54.97 55.38 2c4i s GLU 36 Cb -0.18 -3.10 0.01 0.00 0.10 0.00 0.00 34.13 30.96 2c4i s GLU 36 CO 0.23 0.68 0.05 0.54 0.02 0.00 0.00 175.26 176.78 2c4i s VAL 37 N -1.27 -0.02 -0.25 2.63 0.11 0.06 -4.42 120.40 117.24 2c4i s VAL 37 Ca 0.26 0.07 -0.11 0.00 -2.93 0.00 0.00 61.98 59.27 2c4i s VAL 37 Cb -0.13 -0.08 -0.05 0.00 -1.53 0.00 0.00 36.38 34.59 2c4i s VAL 37 CO 0.16 0.03 0.17 -0.76 -3.33 0.00 0.00 175.10 171.36 2c4i s LEU 38 N 0.40 4.09 -0.31 2.54 1.43 0.54 -0.85 118.68 126.53 2c4i s LEU 38 Ca -0.03 0.08 -0.10 0.00 -1.03 0.00 0.00 54.13 53.05 2c4i s LEU 38 Cb -0.05 -2.11 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 2c4i s LEU 38 CO -0.01 0.04 0.17 -0.54 0.23 0.00 0.00 176.35 176.24 2c4i s LYS 39 N 1.21 3.51 0.13 1.70 -0.14 -0.79 -1.38 119.74 123.97 2c4i s LYS 39 Ca 0.07 -0.61 0.03 0.00 -1.36 0.00 0.00 55.97 54.11 2c4i s LYS 39 Cb -0.14 -3.62 -0.04 0.00 -1.68 0.00 0.00 37.83 32.34 2c4i s LYS 39 CO 0.06 -0.36 -0.09 0.95 -0.76 0.00 0.00 175.35 175.15 2c4i s THR 40 N 1.67 0.99 0.11 2.17 -4.23 -0.75 -1.71 115.64 113.89 2c4i s THR 40 Ca 0.06 -1.99 0.08 0.00 -1.18 0.00 0.00 61.69 58.65 2c4i s THR 40 Cb -0.17 -1.76 -0.04 0.00 1.34 0.00 0.00 72.50 71.88 2c4i s THR 40 CO 0.08 -0.78 -0.20 -0.04 -0.54 0.00 0.00 174.62 173.14 2c4i s MET 41 N -3.71 1.12 0.13 3.99 -1.94 -0.21 -2.13 119.30 116.55 2c4i s MET 41 Ca 0.14 -1.19 0.04 0.00 -1.71 0.00 0.00 55.69 52.97 2c4i s MET 41 Cb 0.03 -1.32 -0.04 0.00 2.01 0.00 0.00 34.83 35.51 2c4i s MET 41 CO -0.01 0.30 -0.11 1.67 -0.01 0.00 0.00 175.02 176.86 2c4i s TRP 42 N -1.36 1.24 -0.12 -0.03 1.48 0.67 -0.79 118.94 120.01 2c4i s TRP 42 Ca 0.07 -0.72 0.03 0.00 -1.06 0.00 0.00 56.10 54.43 2c4i s TRP 42 Cb -0.09 -0.64 0.01 0.00 -1.16 0.00 0.00 33.47 31.59 2c4i s TRP 42 CO 0.04 0.07 -0.23 -0.51 -4.06 0.00 0.00 176.95 172.27 2c4i s LEU 43 N -2.94 2.11 -0.34 -4.66 1.43 -0.53 -2.19 118.68 111.56 2c4i s LEU 43 Ca 0.13 -0.58 -0.12 0.00 -1.03 0.00 0.00 54.13 52.53 2c4i s LEU 43 Cb 0.01 -1.43 -0.00 0.00 0.03 0.00 0.00 46.19 44.79 2c4i s LEU 43 CO 0.01 0.11 0.21 -0.22 0.23 0.00 0.00 176.35 176.69 2c4i s LEU 44 N 0.63 4.47 -0.27 1.79 2.96 -0.30 -0.90 118.68 127.05 2c4i s LEU 44 Ca -0.12 -0.61 -0.10 0.00 -0.22 0.00 0.00 54.13 53.08 2c4i s LEU 44 Cb -0.16 -2.07 -0.05 0.00 0.50 0.00 0.00 46.19 44.41 2c4i s LEU 44 CO 0.02 -0.27 0.17 -0.60 -1.32 0.00 0.00 176.35 174.35 2c4i s ARG 45 N 1.65 3.90 0.24 1.98 6.06 0.61 -0.61 118.95 132.77 2c4i s ARG 45 Ca 0.05 -0.35 -0.09 0.00 -2.50 0.00 0.00 55.73 52.84 2c4i s ARG 45 Cb -0.18 -3.60 -0.07 0.00 0.06 0.00 0.00 34.95 31.16 2c4i s ARG 45 CO 0.08 -0.18 0.54 -1.12 -2.50 0.00 0.00 175.30 172.13 2c4i s SER 46 N 1.73 6.59 -0.07 -2.12 0.01 0.31 -1.26 113.70 118.90 2c4i s SER 46 Ca 0.07 0.88 -0.30 0.00 1.31 0.00 0.00 55.95 57.91 2c4i s SER 46 Cb -0.16 -2.21 -0.02 0.00 0.21 0.00 0.00 66.02 63.84 2c4i s SER 46 CO 0.10 -0.09 1.07 -0.55 0.41 0.00 0.00 173.24 174.18 2c4i s SER 47 N -2.48 7.19 0.24 2.44 0.15 -1.26 -4.84 113.70 115.14 2c4i s SER 47 Ca 0.47 1.65 0.08 0.00 0.70 0.00 0.00 55.95 58.85 2c4i s SER 47 Cb -0.11 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.60 2c4i s SER 47 CO 0.23 -0.48 0.04 0.68 1.20 0.00 0.00 173.24 174.91 2c4i s VAL 48 N 1.96 3.72 -0.15 4.45 -7.23 -1.26 -5.05 120.40 116.84 2c4i s VAL 48 Ca 0.51 -1.68 0.15 0.00 -1.81 0.00 0.00 61.98 59.15 2c4i s VAL 48 Cb -0.21 -2.96 0.06 0.00 0.56 0.00 0.00 36.38 33.83 2c4i s VAL 48 CO 0.20 -0.30 1.44 0.78 -0.31 0.00 0.00 175.10 176.91 2c4i h ASN 49 N 2.03 0.00 -5.09 4.85 -0.26 -1.97 -3.46 115.58 111.68 2c4i h ASN 49 Ca -0.46 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.16 2c4i h ASN 49 Cb 1.23 0.00 -0.18 0.00 -1.06 0.00 0.00 38.32 38.32 2c4i h ASN 49 CO 0.60 0.51 -0.53 1.51 -1.06 0.00 0.00 177.43 178.46 2c4i s ASP 50 N -6.46 0.19 0.56 5.81 -4.77 -1.26 -5.04 116.67 105.69 2c4i s ASP 50 Ca 0.04 -0.54 0.24 0.00 -3.30 0.00 0.00 52.55 48.98 2c4i s ASP 50 Cb 0.08 0.22 1.57 0.00 -1.09 0.00 0.00 42.92 43.70 2c4i s ASP 50 CO 0.75 -0.51 2.20 -0.29 0.70 0.00 0.00 175.17 178.02 2c4i h ILE 51 N 3.67 0.73 0.00 2.11 2.10 -1.95 -1.08 117.51 123.09 2c4i h ILE 51 Ca -0.33 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.61 2c4i h ILE 51 Cb 1.18 0.98 -0.00 0.00 -1.09 0.00 0.00 36.82 37.90 2c4i h ILE 51 CO 0.51 0.00 -0.02 1.23 -1.08 0.00 0.00 178.15 178.78 2c4i h GLY 52 N 0.00 0.00 -2.05 8.18 0.00 -2.00 -1.85 103.07 105.35 2c4i h GLY 52 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2c4i h GLY 52 CO -0.00 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.76 2c4i n ASP 53 N -3.30 3.15 -0.29 0.19 8.00 -0.41 -4.54 116.55 119.35 2c4i n ASP 53 Ca -0.02 -1.96 0.03 0.00 0.71 0.00 0.00 54.79 53.55 2c4i n ASP 53 Cb 0.14 -0.17 0.17 0.00 -0.02 0.00 0.00 41.12 41.25 2c4i n ASP 53 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2c4i h ASP 54 N 4.32 0.62 -1.09 -2.24 3.58 -1.39 -2.70 116.42 117.52 2c4i h ASP 54 Ca 0.00 0.06 0.31 0.00 0.42 0.00 0.00 57.03 57.82 2c4i h ASP 54 Cb 0.94 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.89 2c4i h ASP 54 CO 0.00 0.34 0.78 4.11 -2.88 0.00 0.00 179.24 181.59 2c4i h TRP 55 N 0.73 0.02 -0.61 0.28 5.08 -1.80 -1.25 115.95 118.40 2c4i h TRP 55 Ca 0.40 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.37 2c4i h TRP 55 Cb 0.41 -0.01 0.00 0.00 -3.00 0.00 0.00 29.16 26.57 2c4i h TRP 55 CO -0.07 0.00 0.00 0.36 -1.28 0.00 0.00 178.44 177.45 2c4i n LYS 56 N -4.22 2.66 0.00 0.12 2.85 -1.02 -4.59 118.16 113.96 2c4i n LYS 56 Ca 0.23 -2.52 0.15 0.00 -1.05 0.00 0.00 58.31 55.12 2c4i n LYS 56 Cb 1.14 -1.53 0.74 0.00 -0.65 0.00 0.00 35.03 34.73 2c4i n LYS 56 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2c4i n ALA 57 N 1.53 2.60 -4.03 0.58 0.00 -0.47 -4.82 120.51 115.90 2c4i n ALA 57 Ca 0.22 -0.19 -0.31 0.00 0.00 0.00 0.00 53.44 53.16 2c4i n ALA 57 Cb 0.60 -1.44 -0.16 0.00 0.00 0.00 0.00 19.45 18.45 2c4i n ALA 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2c4i s THR 58 N -2.46 1.66 0.24 0.00 2.01 -1.26 -0.53 115.64 115.31 2c4i s THR 58 Ca 0.31 -0.76 0.05 0.00 0.31 0.00 0.00 61.69 61.61 2c4i s THR 58 Cb 0.20 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 71.10 2c4i s THR 58 CO 0.45 0.41 0.36 -0.13 -0.69 0.00 0.00 174.62 175.02 2c4i s ARG 59 N 1.44 3.41 0.02 4.92 0.52 0.22 -4.93 118.95 124.55 2c4i s ARG 59 Ca 0.04 -0.78 0.01 0.00 -0.52 0.00 0.00 55.73 54.47 2c4i s ARG 59 Cb -0.14 -2.88 -0.02 0.00 0.52 0.00 0.00 34.95 32.44 2c4i s ARG 59 CO -0.10 0.41 -0.04 0.54 0.02 0.00 0.00 175.30 176.13 2c4i s VAL 60 N -1.99 0.23 0.00 3.52 0.11 -1.26 -1.15 120.40 119.85 2c4i s VAL 60 Ca 0.34 -0.79 0.00 0.00 -2.93 0.00 0.00 61.98 58.61 2c4i s VAL 60 Cb -0.09 -0.32 0.00 0.00 -1.53 0.00 0.00 36.38 34.44 2c4i s VAL 60 CO 0.29 -0.36 0.00 0.61 -3.33 0.00 0.00 175.10 172.31 2c4i n GLY 61 N 1.85 1.08 3.49 6.54 0.00 -0.93 -5.00 105.19 112.21 2c4i n GLY 61 Ca -0.21 -0.82 -0.24 0.00 0.00 0.00 0.00 46.02 44.74 2c4i n GLY 61 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2c4i s ILE 62 N -2.35 2.18 -0.05 -0.61 -5.25 -1.26 -0.24 121.20 113.61 2c4i s ILE 62 Ca 0.00 -2.26 -0.05 0.00 -0.99 0.00 0.00 60.65 57.35 2c4i s ILE 62 Cb 0.00 -2.46 0.01 0.00 2.95 0.00 0.00 42.46 42.96 2c4i s ILE 62 CO 0.00 -0.31 0.15 0.20 -1.79 0.00 0.00 174.94 173.19 2c4i s ASN 63 N -3.53 -0.15 -0.23 4.36 0.02 -0.91 -4.90 114.94 109.60 2c4i s ASN 63 Ca 0.30 0.29 -0.07 0.00 -1.02 0.00 0.00 52.86 52.37 2c4i s ASN 63 Cb 0.00 0.30 -0.03 0.00 0.02 0.00 0.00 41.25 41.54 2c4i s ASN 63 CO 0.14 -0.05 0.05 -0.63 0.02 0.00 0.00 177.10 176.63 2c4i s ILE 64 N 0.06 4.30 -0.13 0.60 -1.09 -1.26 -1.81 121.20 121.87 2c4i s ILE 64 Ca -0.00 -0.18 -0.05 0.00 -2.23 0.00 0.00 60.65 58.19 2c4i s ILE 64 Cb -0.01 -2.99 -0.04 0.00 -1.58 0.00 0.00 42.46 37.84 2c4i s ILE 64 CO 0.00 0.37 0.04 -0.36 -1.23 0.00 0.00 174.94 173.77 2c4i s PHE 65 N 1.32 3.26 0.27 3.97 0.08 -0.48 -2.08 117.98 124.32 2c4i s PHE 65 Ca 0.05 0.18 0.06 0.00 0.12 0.00 0.00 56.93 57.33 2c4i s PHE 65 Cb -0.15 -1.92 -0.06 0.00 -0.57 0.00 0.00 43.02 40.33 2c4i s PHE 65 CO 0.03 0.38 -0.04 0.95 -0.10 0.00 0.00 175.22 176.44 2c4i s THR 66 N -0.42 1.45 0.52 0.64 -4.23 0.26 -0.34 115.64 113.53 2c4i s THR 66 Ca 0.09 -2.09 -0.20 0.00 -1.18 0.00 0.00 61.69 58.31 2c4i s THR 66 Cb -0.12 -2.42 -0.06 0.00 1.34 0.00 0.00 72.50 71.23 2c4i s THR 66 CO 0.02 -0.30 1.13 -0.13 -0.54 0.00 0.00 174.62 174.80 2c4i s ARG 67 N -3.77 3.46 0.00 3.99 1.81 -1.26 -0.61 118.95 122.57 2c4i s ARG 67 Ca 0.29 1.62 0.22 0.00 -1.72 0.00 0.00 55.73 56.15 2c4i s ARG 67 Cb 0.04 -2.08 0.19 0.00 -0.45 0.00 0.00 34.95 32.65 2c4i s ARG 67 CO 0.11 -0.76 1.22 -0.11 -0.68 0.00 0.00 175.30 175.07 2c4i n LEU 68 N -1.13 2.90 0.00 2.53 7.94 -0.59 -4.69 117.00 123.96 2c4i n LEU 68 Ca 0.11 -1.04 0.00 0.00 -1.11 0.00 0.00 56.01 53.97 2c4i n LEU 68 Cb 0.51 -0.02 0.00 0.00 0.53 0.00 0.00 43.42 44.44 2c4i n LEU 68 CO 0.43 0.50 0.00 0.29 -1.11 0.00 0.00 177.39 177.50 2c4i n LYS 82 N 1.26 0.00 -3.24 1.96 5.02 -1.26 -5.06 118.16 116.85 2c4i n LYS 82 Ca 0.13 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.09 2c4i n LYS 82 Cb 0.56 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.53 2c4i n LYS 82 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2c4i s SER 84 N -2.22 6.41 0.20 0.00 0.15 -1.26 -4.89 113.70 112.09 2c4i s SER 84 Ca 0.36 2.89 0.10 0.00 0.70 0.00 0.00 55.95 60.01 2c4i s SER 84 Cb 0.11 -2.62 0.02 0.00 -1.71 0.00 0.00 66.02 61.82 2c4i s SER 84 CO 0.04 -0.90 1.41 -0.07 1.20 0.00 0.00 173.24 174.91 2c4i h LEU 85 N 5.38 0.00 -9.45 3.45 3.38 -1.97 -3.45 115.31 112.65 2c4i h LEU 85 Ca -0.46 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 56.89 2c4i h LEU 85 Cb 1.21 0.00 0.08 0.00 0.09 0.00 0.00 40.66 42.04 2c4i h LEU 85 CO 0.83 0.78 0.47 0.41 0.09 0.00 0.00 178.44 181.02 2c4i n THR 86 N -3.42 0.75 0.00 0.22 -1.04 -1.26 -4.59 114.28 104.94 2c4i n THR 86 Ca 0.00 -0.19 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 2c4i n THR 86 Cb 0.80 -1.16 0.00 0.00 -1.82 0.00 0.00 70.33 68.15 2c4i n THR 86 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2c4i n GLY 87 N 2.25 0.58 3.42 3.41 0.00 0.16 -4.94 105.19 110.06 2c4i n GLY 87 Ca 0.14 -2.13 -0.33 0.00 0.00 0.00 0.00 46.02 43.70 2c4i n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c4i s LYS 88 N -0.87 2.75 0.10 1.61 1.02 -1.26 -0.76 119.74 122.33 2c4i s LYS 88 Ca 0.00 -0.72 0.04 0.00 0.02 0.00 0.00 55.97 55.31 2c4i s LYS 88 Cb 0.00 -2.43 -0.04 0.00 -0.52 0.00 0.00 37.83 34.85 2c4i s LYS 88 CO 0.00 0.48 -0.10 -1.58 -0.92 0.00 0.00 175.35 173.23 2c4i s TRP 89 N -0.37 1.07 0.06 3.18 0.52 -0.09 -1.55 118.94 121.77 2c4i s TRP 89 Ca 0.04 -0.67 0.05 0.00 0.02 0.00 0.00 56.10 55.54 2c4i s TRP 89 Cb -0.12 -0.58 -0.03 0.00 -1.15 0.00 0.00 33.47 31.59 2c4i s TRP 89 CO 0.02 0.00 -0.14 -0.08 0.02 0.00 0.00 176.95 176.78 2c4i s THR 90 N -2.54 1.10 0.54 2.01 -1.32 0.22 -1.21 115.64 114.44 2c4i s THR 90 Ca 0.06 -1.15 0.02 0.00 -1.21 0.00 0.00 61.69 59.41 2c4i s THR 90 Cb -0.02 -1.03 0.02 0.00 -1.51 0.00 0.00 72.50 69.96 2c4i s THR 90 CO -0.00 -0.12 0.18 0.54 -2.21 0.00 0.00 174.62 173.01 2c4i s ASN 91 N -1.45 4.36 0.52 8.08 2.20 -0.36 -0.57 114.94 127.71 2c4i s ASN 91 Ca -0.00 -1.52 0.35 0.00 -0.94 0.00 0.00 52.86 50.74 2c4i s ASN 91 Cb -0.09 0.59 1.68 0.00 -2.00 0.00 0.00 41.25 41.44 2c4i s ASN 91 CO 0.02 -1.02 2.04 -2.24 -2.94 0.00 0.00 177.10 172.96 2c4i h ASP 92 N 1.03 0.00 -0.07 3.54 2.03 -1.76 -0.77 116.42 120.43 2c4i h ASP 92 Ca -0.41 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.89 2c4i h ASP 92 Cb 1.32 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.82 2c4i h ASP 92 CO 0.66 0.00 0.00 0.18 -1.03 0.00 0.00 179.24 179.05 2c4i n LEU 93 N -2.83 1.90 0.00 0.15 4.77 -1.26 -4.93 117.00 114.80 2c4i n LEU 93 Ca -0.01 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 2c4i n LEU 93 Cb 0.17 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2c4i n LEU 93 CO 0.21 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 2c4i n GLY 94 N 1.22 0.76 3.79 -0.72 0.00 -0.29 -4.65 105.19 105.28 2c4i n GLY 94 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2c4i n GLY 94 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2c4i s SER 95 N -2.57 5.41 0.01 1.61 0.01 -1.26 -4.56 113.70 112.35 2c4i s SER 95 Ca 0.00 1.89 0.06 0.00 1.31 0.00 0.00 55.95 59.21 2c4i s SER 95 Cb 0.00 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.67 2c4i s SER 95 CO 0.00 -1.42 -0.18 0.20 0.41 0.00 0.00 173.24 172.25 2c4i s ASN 96 N -2.77 2.15 0.04 2.44 0.02 -0.41 -1.22 114.94 115.18 2c4i s ASN 96 Ca 0.65 -0.39 0.02 0.00 -1.02 0.00 0.00 52.86 52.12 2c4i s ASN 96 Cb -0.18 -0.21 -0.02 0.00 0.02 0.00 0.00 41.25 40.86 2c4i s ASN 96 CO 0.41 0.18 -0.08 0.00 0.02 0.00 0.00 177.10 177.63 2c4i s MET 97 N -0.69 0.54 -0.11 -0.60 0.23 -0.35 -0.05 119.30 118.27 2c4i s MET 97 Ca 0.06 -0.72 0.02 0.00 -1.03 0.00 0.00 55.69 54.02 2c4i s MET 97 Cb -0.07 -0.34 -0.01 0.00 -1.53 0.00 0.00 34.83 32.88 2c4i s MET 97 CO 0.00 0.06 -0.18 0.99 -2.03 0.00 0.00 175.02 173.86 2c4i s THR 98 N -1.27 2.59 -0.10 3.16 2.01 0.29 -0.91 115.64 121.42 2c4i s THR 98 Ca -0.08 -0.83 0.03 0.00 0.31 0.00 0.00 61.69 61.11 2c4i s THR 98 Cb -0.09 -2.04 -0.01 0.00 0.01 0.00 0.00 72.50 70.37 2c4i s THR 98 CO 0.00 0.54 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.65 2c4i s ILE 99 N 0.27 2.42 0.00 1.82 1.01 0.06 -0.18 121.20 126.60 2c4i s ILE 99 Ca -0.13 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.62 2c4i s ILE 99 Cb -0.16 -1.95 0.00 0.00 0.01 0.00 0.00 42.46 40.36 2c4i s ILE 99 CO 0.07 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.17 2c4i n GLY 100 N 3.35 1.28 3.78 6.18 0.00 -0.87 0.38 105.19 119.28 2c4i n GLY 100 Ca -0.18 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 2c4i n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c4i s ALA 101 N -3.09 3.54 -0.32 4.61 0.00 -1.26 -4.14 121.76 121.10 2c4i s ALA 101 Ca 0.00 1.46 -0.17 0.00 0.00 0.00 0.00 51.96 53.26 2c4i s ALA 101 Cb 0.00 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.54 2c4i s ALA 101 CO 0.00 -0.91 0.44 0.08 0.00 0.00 0.00 175.76 175.37 2c4i s VAL 102 N -1.13 5.10 0.36 0.00 1.01 -1.26 -4.49 120.40 119.99 2c4i s VAL 102 Ca 0.51 0.40 -0.06 0.00 0.00 0.00 0.00 61.98 62.83 2c4i s VAL 102 Cb -0.44 -3.84 0.09 0.00 0.00 0.00 0.00 36.38 32.18 2c4i s VAL 102 CO 0.59 -0.05 0.40 -0.46 0.00 0.00 0.00 175.10 175.58 2c4i n ASN 103 N 5.53 -0.61 0.12 3.32 0.23 -0.01 -4.87 115.26 118.97 2c4i n ASN 103 Ca -0.07 -0.95 -0.01 0.00 -0.53 0.00 0.00 54.58 53.02 2c4i n ASN 103 Cb 0.50 -0.33 0.09 0.00 -2.08 0.00 0.00 39.78 37.95 2c4i n ASN 103 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2c4i h SER 104 N -1.03 0.00 0.00 0.53 4.64 -1.99 -2.01 113.55 113.68 2c4i h SER 104 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2c4i h SER 104 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2c4i h SER 104 CO 0.09 0.66 0.00 0.54 -0.87 0.00 0.00 176.83 177.26 2c4i n ARG 105 N -3.49 0.93 -0.87 4.77 1.74 -1.26 -4.90 116.66 113.59 2c4i n ARG 105 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2c4i n ARG 105 Cb 0.72 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.78 2c4i n ARG 105 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2c4i n GLY 106 N 0.76 0.85 3.75 -0.13 0.00 -0.76 -4.81 105.19 104.85 2c4i n GLY 106 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2c4i n GLY 106 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2c4i s GLU 107 N -0.13 4.59 0.04 1.61 2.02 -1.26 -0.88 118.70 124.69 2c4i s GLU 107 Ca 0.00 1.84 -0.06 0.00 0.02 0.00 0.00 54.97 56.76 2c4i s GLU 107 Cb 0.00 -3.20 -0.01 0.00 0.10 0.00 0.00 34.13 31.03 2c4i s GLU 107 CO 0.00 0.13 0.12 -0.59 0.02 0.00 0.00 175.26 174.94 2c4i s PHE 108 N -0.91 0.18 0.32 1.61 -0.12 -0.44 -0.83 117.98 117.80 2c4i s PHE 108 Ca 0.46 -0.48 0.05 0.00 -0.05 0.00 0.00 56.93 56.91 2c4i s PHE 108 Cb -0.32 -0.12 -0.06 0.00 -0.63 0.00 0.00 43.02 41.88 2c4i s PHE 108 CO 0.41 -0.39 0.03 0.95 -0.05 0.00 0.00 175.22 176.16 2c4i s THR 109 N -2.75 1.36 0.00 -4.49 -4.23 -1.26 -1.41 115.64 102.86 2c4i s THR 109 Ca -0.04 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 2c4i s THR 109 Cb -0.00 -2.74 0.00 0.00 1.34 0.00 0.00 72.50 71.09 2c4i s THR 109 CO -0.05 -0.07 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 2c4i n GLY 110 N -0.69 0.88 3.06 3.99 0.00 -0.51 -2.05 105.19 109.87 2c4i n GLY 110 Ca -0.03 -0.78 -0.14 0.00 0.00 0.00 0.00 46.02 45.07 2c4i n GLY 110 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2c4i s THR 111 N -2.22 0.59 -0.05 2.61 -4.23 0.75 -1.48 115.64 111.61 2c4i s THR 111 Ca 0.00 -1.01 0.03 0.00 -1.18 0.00 0.00 61.69 59.53 2c4i s THR 111 Cb 0.00 -0.63 0.01 0.00 1.34 0.00 0.00 72.50 73.22 2c4i s THR 111 CO 0.00 -0.31 -0.14 -0.47 -0.54 0.00 0.00 174.62 173.16 2c4i s TYR 112 N -1.24 1.49 -0.30 3.99 5.04 0.77 -0.55 117.35 126.56 2c4i s TYR 112 Ca -0.08 -0.50 -0.00 0.00 -2.44 0.00 0.00 57.07 54.06 2c4i s TYR 112 Cb -0.09 -1.06 0.06 0.00 0.35 0.00 0.00 41.96 41.22 2c4i s TYR 112 CO 0.01 -0.22 -0.01 0.42 -1.34 0.00 0.00 175.55 174.40 2c4i s ILE 113 N 0.41 2.72 0.35 3.14 1.01 0.92 -1.36 121.20 128.39 2c4i s ILE 113 Ca -0.10 -1.60 -0.25 0.00 0.00 0.00 0.00 60.65 58.70 2c4i s ILE 113 Cb -0.14 -2.64 -0.10 0.00 0.01 0.00 0.00 42.46 39.59 2c4i s ILE 113 CO 0.03 -0.18 0.95 0.28 0.00 0.00 0.00 174.94 176.02 2c4i s THR 114 N 1.17 4.22 -0.98 2.92 -1.32 -1.26 -1.29 115.64 119.10 2c4i s THR 114 Ca -0.04 1.74 0.25 0.00 -1.21 0.00 0.00 61.69 62.43 2c4i s THR 114 Cb -0.20 -3.91 0.02 0.00 -1.51 0.00 0.00 72.50 66.90 2c4i s THR 114 CO -0.03 0.04 1.45 0.00 -2.21 0.00 0.00 174.62 173.87 2c4i n ALA 115 N 0.29 3.42 -2.25 11.08 0.00 -1.26 -4.93 120.51 126.86 2c4i n ALA 115 Ca 0.03 -0.33 -0.07 0.00 0.00 0.00 0.00 53.44 53.07 2c4i n ALA 115 Cb 0.51 -1.15 -0.10 0.00 0.00 0.00 0.00 19.45 18.71 2c4i n ALA 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2c4i s VAL 116 N -3.01 0.20 0.03 0.00 -7.23 -1.26 -5.01 120.40 104.12 2c4i s VAL 116 Ca 0.11 -1.63 -0.09 0.00 -1.81 0.00 0.00 61.98 58.56 2c4i s VAL 116 Cb 0.17 -1.33 0.00 0.00 0.56 0.00 0.00 36.38 35.79 2c4i s VAL 116 CO 0.69 -0.90 0.17 0.28 -0.31 0.00 0.00 175.10 175.03 2c4i s THR 117 N -3.56 0.10 -0.59 5.32 -1.32 -1.26 -5.03 115.64 109.31 2c4i s THR 117 Ca 0.04 -0.86 0.20 0.00 -1.21 0.00 0.00 61.69 59.86 2c4i s THR 117 Cb 0.05 -0.77 -0.26 0.00 -1.51 0.00 0.00 72.50 70.01 2c4i s THR 117 CO -0.09 -0.47 0.69 0.00 -2.21 0.00 0.00 174.62 172.54 2c4i n ALA 118 N 0.92 3.89 -2.76 11.08 0.00 -1.26 -4.98 120.51 127.39 2c4i n ALA 118 Ca -0.20 -0.53 -0.26 0.00 0.00 0.00 0.00 53.44 52.45 2c4i n ALA 118 Cb 0.58 -0.72 -0.06 0.00 0.00 0.00 0.00 19.45 19.25 2c4i n ALA 118 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2c4i s THR 119 N -3.09 4.26 -0.90 0.00 -4.23 -1.26 -5.03 115.64 105.39 2c4i s THR 119 Ca 0.02 -1.22 -0.06 0.00 -1.18 0.00 0.00 61.69 59.24 2c4i s THR 119 Cb 0.14 -3.18 -0.02 0.00 1.34 0.00 0.00 72.50 70.79 2c4i s THR 119 CO 0.83 -0.14 2.85 -1.54 -0.54 0.00 0.00 174.62 176.09 2c4i n SER 120 N -0.38 7.24 -4.30 3.99 3.41 -1.26 -4.86 113.62 117.46 2c4i n SER 120 Ca -0.09 -2.91 -0.21 0.00 -0.26 0.00 0.00 58.87 55.40 2c4i n SER 120 Cb 0.55 -1.38 -0.11 0.00 -0.26 0.00 0.00 64.21 63.01 2c4i n SER 120 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2c4i s ASN 121 N 1.06 2.46 0.21 4.04 0.01 -1.26 -5.12 114.94 116.34 2c4i s ASN 121 Ca 0.61 -0.81 -0.30 0.00 -0.71 0.00 0.00 52.86 51.65 2c4i s ASN 121 Cb 0.26 -0.13 -0.09 0.00 0.41 0.00 0.00 41.25 41.71 2c4i s ASN 121 CO -0.10 -0.05 1.23 -1.61 -1.51 0.00 0.00 177.10 175.06 2c4i s GLU 122 N -2.57 4.46 0.20 -0.60 0.41 -1.26 -4.96 118.70 114.38 2c4i s GLU 122 Ca 0.12 1.95 -0.30 0.00 -0.41 0.00 0.00 54.97 56.33 2c4i s GLU 122 Cb -0.06 -3.21 -0.09 0.00 -1.78 0.00 0.00 34.13 28.99 2c4i s GLU 122 CO 0.05 -0.12 1.26 0.42 -0.49 0.00 0.00 175.26 176.38 2c4i s ILE 123 N -0.18 3.33 -0.01 -1.63 1.01 -1.26 -4.77 121.20 117.70 2c4i s ILE 123 Ca 0.53 1.12 0.05 0.00 0.00 0.00 0.00 60.65 62.35 2c4i s ILE 123 Cb -0.34 -3.71 -0.01 0.00 0.01 0.00 0.00 42.46 38.40 2c4i s ILE 123 CO 0.39 0.18 -0.16 -0.54 0.00 0.00 0.00 174.94 174.81 2c4i s LYS 124 N -0.24 1.27 0.27 2.79 1.02 -1.26 -5.06 119.74 118.53 2c4i s LYS 124 Ca 0.55 -0.57 -0.30 0.00 0.02 0.00 0.00 55.97 55.67 2c4i s LYS 124 Cb -0.35 -1.23 -0.13 0.00 -0.52 0.00 0.00 37.83 35.60 2c4i s LYS 124 CO 0.38 0.34 1.40 -1.91 -0.92 0.00 0.00 175.35 174.64 2c4i n GLU 125 N 2.67 2.12 -4.31 1.68 2.13 -1.26 -4.53 120.64 119.15 2c4i n GLU 125 Ca -0.14 0.75 -0.18 0.00 0.66 0.00 0.00 57.16 58.24 2c4i n GLU 125 Cb 0.55 -2.40 -0.13 0.00 0.27 0.00 0.00 31.44 29.72 2c4i n GLU 125 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2c4i s SER 126 N 0.17 1.35 0.60 4.31 0.01 -0.47 -4.72 113.70 114.95 2c4i s SER 126 Ca 0.65 -0.38 -0.15 0.00 1.31 0.00 0.00 55.95 57.37 2c4i s SER 126 Cb -0.61 -0.09 -0.03 0.00 0.21 0.00 0.00 66.02 65.50 2c4i s SER 126 CO 0.52 0.02 1.05 -2.16 0.41 0.00 0.00 173.24 173.08 2c4i s PRO 127 N -0.93 3.32 0.06 12.44 0.04 -1.26 -0.16 135.00 148.51 2c4i s PRO 127 Ca 0.00 1.14 0.03 0.00 0.04 0.00 0.00 61.00 62.21 2c4i s PRO 127 Cb -0.07 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 2c4i s PRO 127 CO 0.01 -0.80 -0.10 -0.48 0.04 0.00 0.00 177.00 175.66 2c4i s LEU 128 N -4.63 2.28 -0.09 -3.56 0.05 -0.55 -1.40 118.68 110.79 2c4i s LEU 128 Ca 0.62 -0.60 -0.04 0.00 0.05 0.00 0.00 54.13 54.16 2c4i s LEU 128 Cb -0.15 -0.30 0.04 0.00 -2.05 0.00 0.00 46.19 43.73 2c4i s LEU 128 CO 0.39 -0.17 0.20 -1.00 -0.55 0.00 0.00 176.35 175.23 2c4i s HIS 129 N -1.44 -0.25 0.18 3.48 3.76 -0.62 -1.42 115.29 118.98 2c4i s HIS 129 Ca -0.06 0.64 -0.05 0.00 -0.15 0.00 0.00 55.06 55.44 2c4i s HIS 129 Cb -0.09 -0.01 0.02 0.00 1.11 0.00 0.00 32.58 33.61 2c4i s HIS 129 CO 0.01 -0.20 0.33 0.41 -0.85 0.00 0.00 174.74 174.44 2c4i n GLY 130 N 4.13 1.89 3.15 -2.22 0.00 -0.50 -0.77 105.19 110.87 2c4i n GLY 130 Ca -0.25 -1.25 -0.12 0.00 0.00 0.00 0.00 46.02 44.39 2c4i n GLY 130 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2c4i s THR 131 N -2.59 0.03 0.00 2.61 -1.32 -0.32 -1.32 115.64 112.73 2c4i s THR 131 Ca 0.10 -0.24 0.04 0.00 -1.21 0.00 0.00 61.69 60.38 2c4i s THR 131 Cb -0.02 -0.42 -0.03 0.00 -1.51 0.00 0.00 72.50 70.52 2c4i s THR 131 CO 0.07 -0.13 -0.09 -1.58 -2.21 0.00 0.00 174.62 170.68 2c4i s GLN 132 N -0.46 2.48 -0.60 7.08 0.74 -0.06 -1.25 119.66 127.58 2c4i s GLN 132 Ca -0.06 -0.75 -0.27 0.00 0.05 0.00 0.00 55.36 54.33 2c4i s GLN 132 Cb -0.04 -2.45 -0.01 0.00 1.10 0.00 0.00 33.01 31.62 2c4i s GLN 132 CO 0.01 0.60 1.74 1.21 -0.55 0.00 0.00 175.29 178.30 2c4i s ASN 133 N -1.32 5.52 0.45 6.67 3.04 0.43 -4.47 114.94 125.26 2c4i s ASN 133 Ca 0.16 0.32 0.39 0.00 0.04 0.00 0.00 52.86 53.76 2c4i s ASN 133 Cb -0.11 -2.53 1.44 0.00 -1.54 0.00 0.00 41.25 38.51 2c4i s ASN 133 CO 0.06 -2.18 1.36 0.35 -3.04 0.00 0.00 177.10 173.65 2c4i n THR 134 N 7.09 -0.08 -2.67 -5.21 -2.24 -1.26 -4.66 114.28 105.25 2c4i n THR 134 Ca 0.18 1.39 -0.05 0.00 -2.27 0.00 0.00 64.05 63.30 2c4i n THR 134 Cb 0.51 -2.31 0.05 0.00 -2.10 0.00 0.00 70.33 66.49 2c4i n THR 134 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2c4i n ILE 135 N -3.94 0.00 0.00 2.28 3.06 -1.26 -5.09 119.36 114.41 2c4i n ILE 135 Ca 0.38 -1.03 0.00 0.00 -2.50 0.00 0.00 62.75 59.60 2c4i n ILE 135 Cb 1.63 0.79 0.00 0.00 0.54 0.00 0.00 39.64 42.59 2c4i n ILE 135 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2c4i n GLY 140 N -0.58 3.97 3.62 4.50 0.00 -1.25 -4.91 105.19 110.53 2c4i n GLY 140 Ca -0.15 -1.63 -0.28 0.00 0.00 0.00 0.00 46.02 43.96 2c4i n GLY 140 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2c4i s SER 141 N 0.00 3.59 0.00 1.61 1.04 -1.25 -3.68 113.70 115.00 2c4i s SER 141 Ca 0.00 -1.47 0.02 0.00 0.48 0.00 0.00 55.95 54.97 2c4i s SER 141 Cb 0.00 -0.03 -0.01 0.00 0.10 0.00 0.00 66.02 66.09 2c4i s SER 141 CO 0.00 -0.62 -0.05 -0.89 0.98 0.00 0.00 173.24 172.66 2c4i s THR 142 N -2.90 0.39 -0.02 2.02 2.01 -0.59 -3.45 115.64 113.11 2c4i s THR 142 Ca 0.27 -0.33 0.08 0.00 0.31 0.00 0.00 61.69 62.02 2c4i s THR 142 Cb 0.07 -0.36 -0.02 0.00 0.01 0.00 0.00 72.50 72.20 2c4i s THR 142 CO 0.13 0.03 -0.26 -0.89 -0.69 0.00 0.00 174.62 172.95 2c4i s THR 143 N -0.30 2.01 -0.07 -0.82 2.01 -1.03 -0.80 115.64 116.65 2c4i s THR 143 Ca 0.00 -1.09 0.04 0.00 0.31 0.00 0.00 61.69 60.95 2c4i s THR 143 Cb -0.03 -1.67 -0.02 0.00 0.01 0.00 0.00 72.50 70.79 2c4i s THR 143 CO -0.00 0.57 -0.20 0.68 -0.69 0.00 0.00 174.62 174.98 2c4i s VAL 144 N -0.60 2.54 0.03 3.82 -7.23 -0.89 0.37 120.40 118.44 2c4i s VAL 144 Ca 0.10 -0.89 0.07 0.00 -1.81 0.00 0.00 61.98 59.44 2c4i s VAL 144 Cb -0.10 -1.97 -0.03 0.00 0.56 0.00 0.00 36.38 34.84 2c4i s VAL 144 CO -0.01 0.57 -0.18 -0.36 -0.31 0.00 0.00 175.10 174.80 2c4i s PHE 145 N -0.25 2.55 -0.02 2.82 0.08 0.16 -1.58 117.98 121.74 2c4i s PHE 145 Ca 0.00 -0.26 -0.06 0.00 0.12 0.00 0.00 56.93 56.73 2c4i s PHE 145 Cb -0.13 -1.48 0.01 0.00 -0.57 0.00 0.00 43.02 40.84 2c4i s PHE 145 CO 0.03 0.22 0.14 -0.08 -0.10 0.00 0.00 175.22 175.43 2c4i s THR 146 N -0.88 0.05 0.00 0.64 -1.32 -0.20 -0.92 115.64 113.01 2c4i s THR 146 Ca 0.14 -0.43 0.00 0.00 -1.21 0.00 0.00 61.69 60.19 2c4i s THR 146 Cb -0.10 -0.34 0.00 0.00 -1.51 0.00 0.00 72.50 70.54 2c4i s THR 146 CO 0.04 -0.24 0.00 0.61 -2.21 0.00 0.00 174.62 172.83 2c4i n GLY 147 N 2.07 1.25 2.98 6.08 0.00 -0.83 -1.10 105.19 115.64 2c4i n GLY 147 Ca -0.19 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 2c4i n GLY 147 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2c4i s GLN 148 N 1.29 0.37 -0.49 1.61 0.74 -0.88 -1.08 119.66 121.23 2c4i s GLN 148 Ca 0.00 -0.38 -0.19 0.00 0.05 0.00 0.00 55.36 54.84 2c4i s GLN 148 Cb 0.00 -0.24 0.05 0.00 1.10 0.00 0.00 33.01 33.92 2c4i s GLN 148 CO 0.00 0.05 0.58 0.00 -0.55 0.00 0.00 175.29 175.38 2c4i s PHE 150 N 2.51 3.56 -0.40 0.00 0.08 0.28 -4.00 117.98 120.01 2c4i s PHE 150 Ca 0.15 0.42 -0.21 0.00 0.12 0.00 0.00 56.93 57.41 2c4i s PHE 150 Cb -0.19 -1.88 0.01 0.00 -0.57 0.00 0.00 43.02 40.40 2c4i s PHE 150 CO 0.12 0.64 0.65 0.42 -0.10 0.00 0.00 175.22 176.96 2c4i s ILE 151 N -1.30 4.84 1.01 0.64 1.01 -1.26 -1.13 121.20 125.01 2c4i s ILE 151 Ca 0.26 0.40 -0.12 0.00 0.00 0.00 0.00 60.65 61.20 2c4i s ILE 151 Cb -0.13 -4.15 0.20 0.00 0.01 0.00 0.00 42.46 38.39 2c4i s ILE 151 CO 0.17 -0.46 1.08 -0.62 0.00 0.00 0.00 174.94 175.11 2c4i s ASP 152 N 1.90 2.32 0.35 3.58 3.68 0.65 -4.85 116.67 124.30 2c4i s ASP 152 Ca 0.24 1.66 0.07 0.00 2.13 0.00 0.00 52.55 56.65 2c4i s ASP 152 Cb -0.14 -2.31 0.76 0.00 -1.45 0.00 0.00 42.92 39.78 2c4i s ASP 152 CO 0.17 -3.39 1.90 -0.09 0.13 0.00 0.00 175.17 173.90 2c4i h ARG 153 N -2.07 0.73 0.00 4.34 2.43 -1.98 0.12 114.38 117.96 2c4i h ARG 153 Ca -0.53 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.60 2c4i h ARG 153 Cb 1.30 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 2c4i h ARG 153 CO 0.50 0.48 0.00 0.27 -1.51 0.00 0.00 179.97 179.71 2c4i n ASN 154 N -4.52 0.00 0.00 -3.80 6.94 -1.26 -4.90 115.26 107.72 2c4i n ASN 154 Ca 0.15 -1.02 0.00 0.00 -0.02 0.00 0.00 54.58 53.69 2c4i n ASN 154 Cb 0.36 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.78 2c4i n ASN 154 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2c4i n GLY 155 N 0.63 1.46 3.78 4.83 0.00 0.42 -5.04 105.19 111.27 2c4i n GLY 155 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 2c4i n GLY 155 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c4i s LYS 156 N -0.28 4.03 0.26 1.61 -0.14 -1.26 -4.72 119.74 119.24 2c4i s LYS 156 Ca 0.00 1.58 -0.29 0.00 -1.36 0.00 0.00 55.97 55.89 2c4i s LYS 156 Cb 0.00 -2.48 -0.09 0.00 -1.68 0.00 0.00 37.83 33.58 2c4i s LYS 156 CO 0.00 -0.27 0.94 -1.21 -0.76 0.00 0.00 175.35 174.05 2c4i s GLU 157 N -2.60 4.79 -0.02 1.68 2.02 -1.26 -0.26 118.70 123.06 2c4i s GLU 157 Ca 0.60 1.46 0.03 0.00 0.02 0.00 0.00 54.97 57.07 2c4i s GLU 157 Cb -0.23 -3.17 0.00 0.00 0.10 0.00 0.00 34.13 30.83 2c4i s GLU 157 CO 0.29 0.46 -0.09 0.54 0.02 0.00 0.00 175.26 176.48 2c4i s VAL 158 N -1.28 0.75 -0.29 2.63 0.11 -0.28 -4.35 120.40 117.69 2c4i s VAL 158 Ca 0.43 -0.36 -0.13 0.00 -2.93 0.00 0.00 61.98 58.99 2c4i s VAL 158 Cb -0.24 -0.65 -0.04 0.00 -1.53 0.00 0.00 36.38 33.91 2c4i s VAL 158 CO 0.30 0.23 0.26 -0.76 -3.33 0.00 0.00 175.10 171.80 2c4i s LEU 159 N 0.06 4.09 -0.26 2.54 1.43 0.09 -0.56 118.68 126.07 2c4i s LEU 159 Ca -0.01 0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 53.02 2c4i s LEU 159 Cb -0.07 -2.23 -0.05 0.00 0.03 0.00 0.00 46.19 43.87 2c4i s LEU 159 CO 0.00 -0.12 0.19 -0.54 0.23 0.00 0.00 176.35 176.11 2c4i s LYS 160 N 1.87 4.02 0.11 1.70 1.02 -1.00 -0.62 119.74 126.83 2c4i s LYS 160 Ca 0.10 -0.26 0.03 0.00 0.02 0.00 0.00 55.97 55.85 2c4i s LYS 160 Cb -0.16 -3.60 -0.04 0.00 -0.52 0.00 0.00 37.83 33.51 2c4i s LYS 160 CO 0.11 -0.07 -0.08 0.95 -0.92 0.00 0.00 175.35 175.34 2c4i s THR 161 N 1.44 0.85 0.16 2.17 -4.23 -0.26 -2.06 115.64 113.71 2c4i s THR 161 Ca 0.08 -1.87 0.07 0.00 -1.18 0.00 0.00 61.69 58.79 2c4i s THR 161 Cb -0.15 -1.61 -0.04 0.00 1.34 0.00 0.00 72.50 72.04 2c4i s THR 161 CO 0.08 -0.76 -0.15 -0.04 -0.54 0.00 0.00 174.62 173.20 2c4i s MET 162 N -3.51 1.18 0.06 3.99 -1.94 -0.26 -1.78 119.30 117.05 2c4i s MET 162 Ca 0.11 -1.39 0.01 0.00 -1.71 0.00 0.00 55.69 52.70 2c4i s MET 162 Cb 0.02 -1.09 -0.04 0.00 2.01 0.00 0.00 34.83 35.74 2c4i s MET 162 CO -0.02 0.21 -0.05 1.67 -0.01 0.00 0.00 175.02 176.81 2c4i s TRP 163 N -2.36 0.65 -0.08 -0.03 1.48 -0.23 -1.03 118.94 117.34 2c4i s TRP 163 Ca 0.15 -0.85 0.04 0.00 -1.06 0.00 0.00 56.10 54.37 2c4i s TRP 163 Cb -0.04 -0.42 0.00 0.00 -1.16 0.00 0.00 33.47 31.86 2c4i s TRP 163 CO 0.05 -0.22 -0.20 -0.51 -4.06 0.00 0.00 176.95 172.01 2c4i s LEU 164 N -2.57 1.95 -0.31 -4.66 1.43 -0.61 -2.40 118.68 111.51 2c4i s LEU 164 Ca 0.03 -0.46 -0.06 0.00 -1.03 0.00 0.00 54.13 52.61 2c4i s LEU 164 Cb 0.02 -1.20 0.02 0.00 0.03 0.00 0.00 46.19 45.07 2c4i s LEU 164 CO -0.05 0.13 0.07 -0.22 0.23 0.00 0.00 176.35 176.52 2c4i s LEU 165 N 0.34 3.97 -0.23 1.79 2.96 0.53 -2.09 118.68 125.95 2c4i s LEU 165 Ca -0.14 -0.91 -0.12 0.00 -0.22 0.00 0.00 54.13 52.74 2c4i s LEU 165 Cb -0.16 -1.85 -0.05 0.00 0.50 0.00 0.00 46.19 44.63 2c4i s LEU 165 CO 0.06 -0.24 0.22 -0.60 -1.32 0.00 0.00 176.35 174.47 2c4i s ARG 166 N 1.44 4.09 0.21 1.98 6.06 0.02 -0.62 118.95 132.12 2c4i s ARG 166 Ca 0.00 -0.16 -0.02 0.00 -2.50 0.00 0.00 55.73 53.06 2c4i s ARG 166 Cb -0.18 -3.55 -0.05 0.00 0.06 0.00 0.00 34.95 31.24 2c4i s ARG 166 CO 0.02 0.02 0.42 -1.12 -2.50 0.00 0.00 175.30 172.13 2c4i s SER 167 N 1.11 6.41 0.09 -2.12 0.01 0.53 -1.53 113.70 118.19 2c4i s SER 167 Ca 0.10 0.47 -0.30 0.00 1.31 0.00 0.00 55.95 57.53 2c4i s SER 167 Cb -0.14 -2.04 -0.05 0.00 0.21 0.00 0.00 66.02 64.00 2c4i s SER 167 CO 0.06 -0.06 1.01 -0.55 0.41 0.00 0.00 173.24 174.11 2c4i s SER 168 N -3.09 7.39 0.31 2.44 0.15 -1.24 -4.83 113.70 114.82 2c4i s SER 168 Ca 0.40 1.82 0.10 0.00 0.70 0.00 0.00 55.95 58.96 2c4i s SER 168 Cb -0.11 -2.58 -0.05 0.00 -1.71 0.00 0.00 66.02 61.56 2c4i s SER 168 CO 0.29 -0.18 -0.02 0.68 1.20 0.00 0.00 173.24 175.20 2c4i s VAL 169 N 0.34 2.81 -0.97 4.45 -7.23 -1.26 -4.96 120.40 113.59 2c4i s VAL 169 Ca 0.50 -2.02 0.23 0.00 -1.81 0.00 0.00 61.98 58.87 2c4i s VAL 169 Cb -0.24 -2.73 -0.14 0.00 0.56 0.00 0.00 36.38 33.82 2c4i s VAL 169 CO 0.30 -0.27 1.09 0.59 -0.31 0.00 0.00 175.10 176.49 2c4i n ASN 170 N -0.89 0.79 -3.70 4.85 3.02 -1.26 -4.87 115.26 113.20 2c4i n ASN 170 Ca -0.05 -0.68 -0.14 0.00 -0.03 0.00 0.00 54.58 53.68 2c4i n ASN 170 Cb 0.61 0.73 -0.08 0.00 -0.61 0.00 0.00 39.78 40.44 2c4i n ASN 170 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 2c4i s ASP 171 N -3.06 -0.27 0.57 6.41 -4.77 -1.26 -4.86 116.67 109.42 2c4i s ASP 171 Ca 0.09 0.14 0.29 0.00 -3.30 0.00 0.00 52.55 49.77 2c4i s ASP 171 Cb 0.16 0.37 1.47 0.00 -1.09 0.00 0.00 42.92 43.84 2c4i s ASP 171 CO 0.81 -0.53 1.92 -0.29 0.70 0.00 0.00 175.17 177.78 2c4i h ILE 172 N 3.51 0.48 0.00 2.11 2.10 -2.00 -1.51 117.51 122.21 2c4i h ILE 172 Ca -0.30 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.64 2c4i h ILE 172 Cb 1.18 0.64 0.00 0.00 -1.09 0.00 0.00 36.82 37.54 2c4i h ILE 172 CO 0.41 0.00 0.00 1.23 -1.08 0.00 0.00 178.15 178.71 2c4i h GLY 173 N 0.00 0.00 -1.80 8.18 0.00 -2.00 -1.37 103.07 106.08 2c4i h GLY 173 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 2c4i h GLY 173 CO -0.00 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.76 2c4i n ASP 174 N -2.31 2.98 -0.37 0.19 8.00 -0.57 -4.59 116.55 119.88 2c4i n ASP 174 Ca 0.01 -1.88 -0.00 0.00 0.71 0.00 0.00 54.79 53.63 2c4i n ASP 174 Cb 0.17 -0.15 0.14 0.00 -0.02 0.00 0.00 41.12 41.26 2c4i n ASP 174 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2c4i h ASP 175 N 3.70 1.08 -1.04 -2.24 3.58 -1.33 -2.35 116.42 117.81 2c4i h ASP 175 Ca 0.00 -0.01 0.30 0.00 0.42 0.00 0.00 57.03 57.74 2c4i h ASP 175 Cb 0.84 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 41.60 2c4i h ASP 175 CO 0.00 0.74 0.77 4.11 -2.88 0.00 0.00 179.24 181.98 2c4i h TRP 176 N 1.26 0.00 -0.42 0.28 5.08 -1.81 -1.70 115.95 118.64 2c4i h TRP 176 Ca 0.39 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.36 2c4i h TRP 176 Cb -0.01 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.15 2c4i h TRP 176 CO -0.00 0.00 0.00 0.36 -1.28 0.00 0.00 178.44 177.52 2c4i n LYS 177 N -4.15 2.45 0.00 0.12 2.85 -0.89 -4.59 118.16 113.95 2c4i n LYS 177 Ca 0.22 -2.17 0.15 0.00 -1.05 0.00 0.00 58.31 55.46 2c4i n LYS 177 Cb 1.12 -1.41 0.75 0.00 -0.65 0.00 0.00 35.03 34.85 2c4i n LYS 177 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2c4i n ALA 178 N 1.09 2.54 -4.09 0.58 0.00 -0.64 -4.82 120.51 115.17 2c4i n ALA 178 Ca 0.16 -0.16 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 2c4i n ALA 178 Cb 0.51 -1.47 -0.16 0.00 0.00 0.00 0.00 19.45 18.33 2c4i n ALA 178 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2c4i s THR 179 N -2.52 1.98 0.24 0.00 2.01 -1.26 -0.34 115.64 115.74 2c4i s THR 179 Ca 0.30 -1.00 0.00 0.00 0.31 0.00 0.00 61.69 61.30 2c4i s THR 179 Cb 0.20 -1.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 2c4i s THR 179 CO 0.46 0.42 0.43 -0.13 -0.69 0.00 0.00 174.62 175.10 2c4i s ARG 180 N 1.30 3.50 0.01 4.92 0.52 0.21 -4.89 118.95 124.53 2c4i s ARG 180 Ca 0.02 -0.39 0.05 0.00 -0.52 0.00 0.00 55.73 54.90 2c4i s ARG 180 Cb -0.14 -2.80 -0.02 0.00 0.52 0.00 0.00 34.95 32.51 2c4i s ARG 180 CO -0.11 0.35 -0.15 0.54 0.02 0.00 0.00 175.30 175.94 2c4i s VAL 181 N -1.99 1.20 0.00 3.52 0.11 -1.26 -0.34 120.40 121.64 2c4i s VAL 181 Ca 0.38 -0.83 0.00 0.00 -2.93 0.00 0.00 61.98 58.61 2c4i s VAL 181 Cb -0.10 -1.03 0.00 0.00 -1.53 0.00 0.00 36.38 33.71 2c4i s VAL 181 CO 0.31 0.19 0.00 0.61 -3.33 0.00 0.00 175.10 172.88 2c4i n GLY 182 N 2.32 2.00 3.45 6.54 0.00 -1.01 -5.02 105.19 113.47 2c4i n GLY 182 Ca -0.16 -0.72 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 2c4i n GLY 182 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2c4i s ILE 183 N -2.60 2.02 -0.12 -0.61 -5.25 -1.26 -1.07 121.20 112.31 2c4i s ILE 183 Ca 0.00 -2.24 -0.11 0.00 -0.99 0.00 0.00 60.65 57.31 2c4i s ILE 183 Cb 0.00 -2.36 0.03 0.00 2.95 0.00 0.00 42.46 43.08 2c4i s ILE 183 CO 0.00 -0.37 0.32 0.20 -1.79 0.00 0.00 174.94 173.30 2c4i s ASN 184 N -3.47 -0.33 -0.20 4.36 0.02 -0.74 -4.90 114.94 109.68 2c4i s ASN 184 Ca 0.29 0.62 -0.06 0.00 -1.02 0.00 0.00 52.86 52.69 2c4i s ASN 184 Cb 0.00 0.64 -0.03 0.00 0.02 0.00 0.00 41.25 41.88 2c4i s ASN 184 CO 0.13 -0.13 0.03 -0.63 0.02 0.00 0.00 177.10 176.51 2c4i s ILE 185 N 0.09 4.25 -0.04 0.60 1.09 -1.26 -1.10 121.20 124.82 2c4i s ILE 185 Ca -0.01 -0.21 0.03 0.00 -1.10 0.00 0.00 60.65 59.35 2c4i s ILE 185 Cb -0.02 -2.93 -0.03 0.00 -1.06 0.00 0.00 42.46 38.42 2c4i s ILE 185 CO 0.01 0.42 -0.10 -0.36 -0.10 0.00 0.00 174.94 174.81 2c4i s PHE 186 N 0.90 2.82 0.13 3.97 0.08 0.21 -2.72 117.98 123.37 2c4i s PHE 186 Ca 0.02 -0.07 0.06 0.00 0.12 0.00 0.00 56.93 57.06 2c4i s PHE 186 Cb -0.14 -1.65 -0.04 0.00 -0.57 0.00 0.00 43.02 40.62 2c4i s PHE 186 CO 0.02 0.28 -0.14 0.95 -0.10 0.00 0.00 175.22 176.24 2c4i s THR 187 N -0.82 1.34 0.12 0.64 -4.23 -0.32 -0.73 115.64 111.64 2c4i s THR 187 Ca 0.13 -1.75 -0.27 0.00 -1.18 0.00 0.00 61.69 58.62 2c4i s THR 187 Cb -0.11 -1.57 -0.07 0.00 1.34 0.00 0.00 72.50 72.10 2c4i s THR 187 CO 0.02 -0.44 0.82 -0.13 -0.54 0.00 0.00 174.62 174.36 2c4i s ARG 188 N -2.76 4.60 -0.16 3.99 0.52 -1.26 -1.19 118.95 122.68 2c4i s ARG 188 Ca 0.10 1.22 0.01 0.00 -0.52 0.00 0.00 55.73 56.53 2c4i s ARG 188 Cb -0.04 -3.32 0.20 0.00 0.52 0.00 0.00 34.95 32.31 2c4i s ARG 188 CO 0.03 0.41 1.46 1.28 0.02 0.00 0.00 175.30 178.50 2c4i n LEU 189 N 2.19 4.65 -4.75 2.53 4.77 0.34 -4.92 117.00 121.81 2c4i n LEU 189 Ca -0.03 -2.37 -0.41 0.00 -0.03 0.00 0.00 56.01 53.17 2c4i n LEU 189 Cb 0.49 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 2c4i n LEU 189 CO 0.48 0.79 1.07 -1.20 -1.33 0.00 0.00 177.39 177.19 2c4i n SER 200 N 0.14 3.46 -2.39 -1.43 7.64 -1.26 -5.02 113.62 114.77 2c4i n SER 200 Ca 0.20 1.20 -0.08 0.00 1.01 0.00 0.00 58.87 61.20 2c4i n SER 200 Cb 0.80 -1.59 -0.07 0.00 -1.01 0.00 0.00 64.21 62.34 2c4i n SER 200 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2c4i n ALA 201 N 0.27 3.77 0.11 -0.43 0.00 -1.26 -4.52 120.51 118.45 2c4i n ALA 201 Ca 0.03 -1.04 -0.05 0.00 0.00 0.00 0.00 53.44 52.38 2c4i n ALA 201 Cb 0.39 -2.38 -0.02 0.00 0.00 0.00 0.00 19.45 17.43 2c4i n ALA 201 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2c4i h ARG 202 N 4.80 -0.32 -5.67 0.00 0.11 -1.98 -3.46 114.38 107.87 2c4i h ARG 202 Ca 0.15 0.02 -0.66 0.00 0.10 0.00 0.00 59.98 59.59 2c4i h ARG 202 Cb 0.66 0.07 -0.15 0.00 1.11 0.00 0.00 29.97 31.67 2c4i h ARG 202 CO 0.52 -0.21 -0.59 0.21 0.10 0.00 0.00 179.97 179.99 2c4i s LYS 203 N -2.67 3.38 -0.21 0.08 2.20 -1.26 -4.87 119.74 116.38 2c4i s LYS 203 Ca -0.05 -0.37 -0.28 0.00 -0.36 0.00 0.00 55.97 54.91 2c4i s LYS 203 Cb 0.00 -2.97 0.00 0.00 -1.51 0.00 0.00 37.83 33.36 2c4i s LYS 203 CO 0.14 0.55 1.01 0.00 -0.36 0.00 0.00 175.35 176.69 2c4i s SER 205 N 1.20 3.38 0.16 0.00 0.15 -1.26 -4.66 113.70 112.67 2c4i s SER 205 Ca 0.43 -0.47 0.26 0.00 0.70 0.00 0.00 55.95 56.88 2c4i s SER 205 Cb -0.15 -0.45 0.81 0.00 -1.71 0.00 0.00 66.02 64.52 2c4i s SER 205 CO 0.08 0.29 1.73 0.18 1.20 0.00 0.00 173.24 176.72 2c4i n LEU 206 N 2.00 0.67 -4.74 3.45 4.77 -1.26 -4.87 117.00 117.02 2c4i n LEU 206 Ca -0.16 0.51 -0.41 0.00 -0.03 0.00 0.00 56.01 55.91 2c4i n LEU 206 Cb 0.52 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 2c4i n LEU 206 CO 0.24 -0.13 1.00 -0.89 -1.33 0.00 0.00 177.39 176.28 2c4i s THR 207 N -3.09 3.07 -5.00 -5.08 2.01 -1.26 -4.58 115.64 101.70 2c4i s THR 207 Ca 0.11 0.91 0.00 0.00 0.31 0.00 0.00 61.69 63.01 2c4i s THR 207 Cb 0.14 -3.58 0.00 0.00 0.01 0.00 0.00 72.50 69.07 2c4i s THR 207 CO 0.61 0.15 0.00 0.61 -0.69 0.00 0.00 174.62 175.29 2c4i n GLY 208 N 2.12 0.77 3.49 4.40 0.00 -0.92 -4.97 105.19 110.09 2c4i n GLY 208 Ca 0.05 -1.88 -0.34 0.00 0.00 0.00 0.00 46.02 43.86 2c4i n GLY 208 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c4i s LYS 209 N -1.57 3.65 0.12 1.61 1.02 -1.26 -1.16 119.74 122.15 2c4i s LYS 209 Ca 0.00 -0.53 0.08 0.00 0.02 0.00 0.00 55.97 55.54 2c4i s LYS 209 Cb 0.00 -2.89 -0.04 0.00 -0.52 0.00 0.00 37.83 34.38 2c4i s LYS 209 CO 0.00 0.25 -0.19 -1.58 -0.92 0.00 0.00 175.35 172.90 2c4i s TRP 210 N 0.34 1.74 0.11 3.18 0.52 0.11 -0.50 118.94 124.44 2c4i s TRP 210 Ca -0.05 -0.44 0.08 0.00 0.02 0.00 0.00 56.10 55.71 2c4i s TRP 210 Cb -0.14 -0.93 -0.04 0.00 -1.15 0.00 0.00 33.47 31.21 2c4i s TRP 210 CO 0.03 0.23 -0.19 0.95 0.02 0.00 0.00 176.95 177.99 2c4i s THR 211 N -1.48 1.63 0.36 2.01 -4.23 -0.33 -1.32 115.64 112.28 2c4i s THR 211 Ca 0.09 -1.61 0.02 0.00 -1.18 0.00 0.00 61.69 59.01 2c4i s THR 211 Cb -0.08 -1.56 0.02 0.00 1.34 0.00 0.00 72.50 72.22 2c4i s THR 211 CO 0.05 -0.16 0.16 -0.46 -0.54 0.00 0.00 174.62 173.67 2c4i n ASN 212 N 0.90 2.51 0.00 3.99 0.23 -0.60 -1.18 115.26 121.12 2c4i n ASN 212 Ca -0.18 -2.38 0.13 0.00 -0.53 0.00 0.00 54.58 51.62 2c4i n ASN 212 Cb 0.55 0.08 0.62 0.00 -2.08 0.00 0.00 39.78 38.95 2c4i n ASN 212 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 2c4i n ASP 213 N -1.61 0.00 -0.35 0.53 5.75 -1.10 -2.25 116.55 117.51 2c4i n ASP 213 Ca -0.07 0.20 0.12 0.00 -0.01 0.00 0.00 54.79 55.03 2c4i n ASP 213 Cb 0.43 -0.39 0.12 0.00 -1.03 0.00 0.00 41.12 40.24 2c4i n ASP 213 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2c4i n LEU 214 N -1.39 1.55 0.00 -2.12 4.77 -1.26 -4.97 117.00 113.58 2c4i n LEU 214 Ca 0.10 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 2c4i n LEU 214 Cb 0.26 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2c4i n LEU 214 CO 0.23 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 2c4i n GLY 215 N 1.41 0.22 3.75 -0.72 0.00 -0.95 -4.67 105.19 104.22 2c4i n GLY 215 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 2c4i n GLY 215 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2c4i s SER 216 N -2.08 4.43 -0.00 1.61 0.01 -1.26 -4.55 113.70 111.86 2c4i s SER 216 Ca 0.00 2.03 0.03 0.00 1.31 0.00 0.00 55.95 59.32 2c4i s SER 216 Cb 0.00 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.67 2c4i s SER 216 CO 0.00 -2.09 -0.10 0.20 0.41 0.00 0.00 173.24 171.66 2c4i s ASN 217 N -2.78 1.22 0.03 2.44 0.01 -0.61 -1.55 114.94 113.70 2c4i s ASN 217 Ca 0.66 -0.22 -0.03 0.00 -0.71 0.00 0.00 52.86 52.56 2c4i s ASN 217 Cb -0.21 -0.12 -0.02 0.00 0.41 0.00 0.00 41.25 41.31 2c4i s ASN 217 CO 0.49 0.10 0.03 0.00 -1.51 0.00 0.00 177.10 176.22 2c4i s MET 218 N -0.37 0.45 -0.06 -0.60 0.23 -0.44 -0.54 119.30 117.97 2c4i s MET 218 Ca 0.03 -0.71 0.05 0.00 -1.03 0.00 0.00 55.69 54.03 2c4i s MET 218 Cb -0.04 0.17 -0.01 0.00 -1.53 0.00 0.00 34.83 33.42 2c4i s MET 218 CO -0.00 -0.09 -0.22 0.99 -2.03 0.00 0.00 175.02 173.66 2c4i s THR 219 N -2.12 1.88 -0.09 3.16 2.01 -0.39 0.05 115.64 120.13 2c4i s THR 219 Ca -0.09 -0.95 0.04 0.00 0.31 0.00 0.00 61.69 60.99 2c4i s THR 219 Cb -0.05 -1.60 0.00 0.00 0.01 0.00 0.00 72.50 70.86 2c4i s THR 219 CO -0.03 0.52 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.57 2c4i s ILE 220 N 0.04 1.94 0.00 1.82 1.01 -0.31 -1.39 121.20 124.30 2c4i s ILE 220 Ca -0.08 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.62 2c4i s ILE 220 Cb -0.14 -1.68 0.00 0.00 0.01 0.00 0.00 42.46 40.65 2c4i s ILE 220 CO 0.05 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.13 2c4i n GLY 221 N 3.48 -1.70 3.76 6.18 0.00 0.52 -2.16 105.19 115.27 2c4i n GLY 221 Ca -0.19 -1.55 -0.38 0.00 0.00 0.00 0.00 46.02 43.90 2c4i n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c4i s ALA 222 N -3.50 2.85 -0.38 4.61 0.00 -1.26 -4.39 121.76 119.69 2c4i s ALA 222 Ca 0.00 1.18 -0.14 0.00 0.00 0.00 0.00 51.96 53.00 2c4i s ALA 222 Cb 0.00 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.63 2c4i s ALA 222 CO 0.00 -1.12 0.28 0.08 0.00 0.00 0.00 175.76 175.00 2c4i s VAL 223 N -1.40 5.27 1.21 0.00 1.01 -1.26 -4.51 120.40 120.72 2c4i s VAL 223 Ca 0.69 -0.48 -0.20 0.00 0.00 0.00 0.00 61.98 61.98 2c4i s VAL 223 Cb -0.36 -3.84 0.30 0.00 0.00 0.00 0.00 36.38 32.48 2c4i s VAL 223 CO 0.42 -0.19 1.11 -0.46 0.00 0.00 0.00 175.10 175.98 2c4i n ASN 224 N 5.14 -1.95 0.23 3.32 0.23 -0.56 -4.83 115.26 116.84 2c4i n ASN 224 Ca -0.12 -1.19 0.10 0.00 -0.53 0.00 0.00 54.58 52.85 2c4i n ASN 224 Cb 0.48 -1.00 0.55 0.00 -2.08 0.00 0.00 39.78 37.72 2c4i n ASN 224 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2c4i h SER 225 N -2.66 0.00 0.30 0.53 4.64 -1.98 -0.95 113.55 113.44 2c4i h SER 225 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 2c4i h SER 225 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2c4i h SER 225 CO 0.27 0.20 -0.02 0.54 -0.87 0.00 0.00 176.83 176.96 2c4i n ARG 226 N -3.50 0.73 -0.54 4.77 1.74 -1.26 -4.91 116.66 113.69 2c4i n ARG 226 Ca -0.01 -0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 2c4i n ARG 226 Cb 0.37 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 2c4i n ARG 226 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2c4i n GLY 227 N 1.18 0.76 3.81 -0.13 0.00 -0.36 -4.86 105.19 105.59 2c4i n GLY 227 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 2c4i n GLY 227 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2c4i s GLU 228 N -0.46 4.29 0.05 1.61 2.02 -1.26 -0.51 118.70 124.44 2c4i s GLU 228 Ca 0.00 1.09 -0.16 0.00 0.02 0.00 0.00 54.97 55.92 2c4i s GLU 228 Cb 0.00 -2.44 0.03 0.00 0.10 0.00 0.00 34.13 31.82 2c4i s GLU 228 CO 0.00 0.12 0.36 -0.59 0.02 0.00 0.00 175.26 175.17 2c4i s PHE 229 N -1.95 -0.18 0.17 1.61 -0.12 -0.57 -1.50 117.98 115.45 2c4i s PHE 229 Ca 0.56 0.07 0.08 0.00 -0.05 0.00 0.00 56.93 57.58 2c4i s PHE 229 Cb -0.12 0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.39 2c4i s PHE 229 CO 0.17 -0.56 -0.16 0.99 -0.05 0.00 0.00 175.22 175.62 2c4i s THR 230 N -2.68 1.71 0.00 -4.49 2.01 -1.26 -2.08 115.64 108.84 2c4i s THR 230 Ca -0.04 -2.01 0.00 0.00 0.31 0.00 0.00 61.69 59.95 2c4i s THR 230 Cb -0.00 -1.88 0.00 0.00 0.01 0.00 0.00 72.50 70.63 2c4i s THR 230 CO -0.04 -0.45 0.00 0.61 -0.69 0.00 0.00 174.62 174.05 2c4i n GLY 231 N 0.05 1.57 3.22 4.40 0.00 0.16 -0.35 105.19 114.23 2c4i n GLY 231 Ca -0.11 -0.87 -0.14 0.00 0.00 0.00 0.00 46.02 44.90 2c4i n GLY 231 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2c4i s THR 232 N -2.61 1.04 -0.05 2.61 -4.23 -0.49 -1.02 115.64 110.90 2c4i s THR 232 Ca 0.00 -1.89 -0.02 0.00 -1.18 0.00 0.00 61.69 58.60 2c4i s THR 232 Cb 0.00 -1.66 0.04 0.00 1.34 0.00 0.00 72.50 72.22 2c4i s THR 232 CO 0.00 -0.69 0.10 -0.47 -0.54 0.00 0.00 174.62 173.02 2c4i s TYR 233 N -3.03 -0.06 -0.30 3.99 5.04 0.52 -1.27 117.35 122.24 2c4i s TYR 233 Ca 0.12 0.36 -0.01 0.00 -2.44 0.00 0.00 57.07 55.10 2c4i s TYR 233 Cb 0.01 -0.24 0.06 0.00 0.35 0.00 0.00 41.96 42.13 2c4i s TYR 233 CO -0.00 -0.17 -0.01 0.42 -1.34 0.00 0.00 175.55 174.45 2c4i s ILE 234 N 1.56 2.79 0.27 3.14 1.01 0.30 -0.87 121.20 129.39 2c4i s ILE 234 Ca -0.04 -1.53 -0.29 0.00 0.00 0.00 0.00 60.65 58.79 2c4i s ILE 234 Cb -0.12 -2.65 -0.09 0.00 0.01 0.00 0.00 42.46 39.60 2c4i s ILE 234 CO -0.04 -0.15 0.95 0.28 0.00 0.00 0.00 174.94 175.98 2c4i s THR 235 N 1.20 4.07 -1.26 2.92 -1.32 -1.26 -1.57 115.64 118.41 2c4i s THR 235 Ca -0.04 1.98 0.26 0.00 -1.21 0.00 0.00 61.69 62.68 2c4i s THR 235 Cb -0.20 -4.22 0.15 0.00 -1.51 0.00 0.00 72.50 66.72 2c4i s THR 235 CO -0.02 0.39 1.56 0.00 -2.21 0.00 0.00 174.62 174.34 2c4i n ALA 236 N 1.22 3.21 -2.49 11.08 0.00 -1.26 -4.91 120.51 127.35 2c4i n ALA 236 Ca -0.01 -0.33 -0.11 0.00 0.00 0.00 0.00 53.44 53.00 2c4i n ALA 236 Cb 0.48 -1.19 -0.11 0.00 0.00 0.00 0.00 19.45 18.63 2c4i n ALA 236 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2c4i s VAL 237 N -2.82 0.48 0.04 0.00 -7.23 -1.26 -4.96 120.40 104.65 2c4i s VAL 237 Ca 0.17 -1.49 0.01 0.00 -1.81 0.00 0.00 61.98 58.86 2c4i s VAL 237 Cb 0.18 -1.11 -0.02 0.00 0.56 0.00 0.00 36.38 35.99 2c4i s VAL 237 CO 0.61 -0.68 -0.06 0.28 -0.31 0.00 0.00 175.10 174.94 2c4i s THR 238 N -2.64 0.39 -1.63 5.32 -1.32 -1.26 -5.02 115.64 109.48 2c4i s THR 238 Ca 0.00 -1.13 0.17 0.00 -1.21 0.00 0.00 61.69 59.52 2c4i s THR 238 Cb -0.01 -0.62 0.02 0.00 -1.51 0.00 0.00 72.50 70.37 2c4i s THR 238 CO -0.03 -0.49 0.90 0.00 -2.21 0.00 0.00 174.62 172.78 2c4i n ALA 239 N 1.32 3.06 -2.52 11.08 0.00 -1.26 -4.99 120.51 127.20 2c4i n ALA 239 Ca -0.22 -0.56 -0.23 0.00 0.00 0.00 0.00 53.44 52.43 2c4i n ALA 239 Cb 0.56 -0.58 -0.06 0.00 0.00 0.00 0.00 19.45 19.37 2c4i n ALA 239 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2c4i s THR 240 N -1.84 3.07 -1.32 0.00 -4.23 -1.26 -5.03 115.64 105.04 2c4i s THR 240 Ca 0.15 -1.67 0.12 0.00 -1.18 0.00 0.00 61.69 59.10 2c4i s THR 240 Cb 0.13 -2.99 0.45 0.00 1.34 0.00 0.00 72.50 71.44 2c4i s THR 240 CO 0.38 -0.19 1.31 -1.54 -0.54 0.00 0.00 174.62 174.04 2c4i n SER 241 N -1.16 3.15 -4.91 3.99 3.41 -1.26 -4.88 113.62 111.96 2c4i n SER 241 Ca -0.03 -2.27 -0.28 0.00 -0.26 0.00 0.00 58.87 56.04 2c4i n SER 241 Cb 0.61 -0.45 0.02 0.00 -0.26 0.00 0.00 64.21 64.13 2c4i n SER 241 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2c4i s ASN 242 N -0.76 5.86 -0.09 4.04 0.01 -1.26 -5.04 114.94 117.71 2c4i s ASN 242 Ca 0.32 0.90 -0.30 0.00 -0.71 0.00 0.00 52.86 53.07 2c4i s ASN 242 Cb 0.21 -1.98 -0.02 0.00 0.41 0.00 0.00 41.25 39.86 2c4i s ASN 242 CO 0.16 -0.91 1.10 -0.70 -1.51 0.00 0.00 177.10 175.23 2c4i s GLU 243 N -4.97 4.38 -0.18 -0.60 2.12 -1.26 -5.00 118.70 113.19 2c4i s GLU 243 Ca 0.52 1.52 -0.09 0.00 0.36 0.00 0.00 54.97 57.28 2c4i s GLU 243 Cb -0.11 -3.56 -0.05 0.00 0.26 0.00 0.00 34.13 30.68 2c4i s GLU 243 CO 0.47 -0.39 0.13 0.42 -0.54 0.00 0.00 175.26 175.35 2c4i s ILE 244 N 2.16 5.43 0.48 -3.70 -1.09 -1.26 -4.13 121.20 119.08 2c4i s ILE 244 Ca 0.51 0.19 0.08 0.00 -2.23 0.00 0.00 60.65 59.21 2c4i s ILE 244 Cb -0.21 -3.45 0.04 0.00 -1.58 0.00 0.00 42.46 37.25 2c4i s ILE 244 CO 0.19 0.48 0.63 -0.54 -1.23 0.00 0.00 174.94 174.47 2c4i s LYS 245 N 0.08 2.61 0.18 2.79 1.02 -0.49 -5.01 119.74 120.93 2c4i s LYS 245 Ca 0.09 -1.42 -0.33 0.00 0.02 0.00 0.00 55.97 54.34 2c4i s LYS 245 Cb -0.11 -2.68 -0.15 0.00 -0.52 0.00 0.00 37.83 34.37 2c4i s LYS 245 CO -0.01 -0.48 1.24 -1.91 -0.92 0.00 0.00 175.35 173.28 2c4i n GLU 246 N -1.96 1.40 -4.46 1.68 2.13 -1.26 -4.47 120.64 113.70 2c4i n GLU 246 Ca 0.10 0.50 -0.22 0.00 0.66 0.00 0.00 57.16 58.20 2c4i n GLU 246 Cb 0.60 -2.05 -0.14 0.00 0.27 0.00 0.00 31.44 30.12 2c4i n GLU 246 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2c4i s SER 247 N 0.12 2.00 0.46 4.31 0.01 -0.05 -4.65 113.70 115.91 2c4i s SER 247 Ca 0.73 -0.49 -0.18 0.00 1.31 0.00 0.00 55.95 57.31 2c4i s SER 247 Cb -0.80 -0.14 -0.09 0.00 0.21 0.00 0.00 66.02 65.19 2c4i s SER 247 CO 0.51 0.08 0.95 -2.16 0.41 0.00 0.00 173.24 173.03 2c4i s PRO 248 N -1.19 4.07 0.06 12.44 0.04 -1.25 -0.36 135.00 148.81 2c4i s PRO 248 Ca 0.04 0.99 0.05 0.00 0.04 0.00 0.00 61.00 62.12 2c4i s PRO 248 Cb -0.08 -2.18 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 2c4i s PRO 248 CO 0.02 -0.13 -0.14 -0.48 0.04 0.00 0.00 177.00 176.31 2c4i s LEU 249 N -3.60 2.23 -0.02 -3.56 0.05 -0.18 -1.48 118.68 112.12 2c4i s LEU 249 Ca 0.60 -0.54 -0.00 0.00 0.05 0.00 0.00 54.13 54.23 2c4i s LEU 249 Cb -0.10 -0.52 0.02 0.00 -2.05 0.00 0.00 46.19 43.55 2c4i s LEU 249 CO 0.22 -0.04 0.03 -1.00 -0.55 0.00 0.00 176.35 175.01 2c4i s HIS 250 N -1.10 0.02 0.38 3.48 3.76 -0.82 -0.66 115.29 120.35 2c4i s HIS 250 Ca -0.01 0.11 -0.09 0.00 -0.15 0.00 0.00 55.06 54.92 2c4i s HIS 250 Cb -0.09 -0.18 0.04 0.00 1.11 0.00 0.00 32.58 33.45 2c4i s HIS 250 CO 0.02 -0.07 0.66 0.20 -0.85 0.00 0.00 174.74 174.70 2c4i s GLY 251 N 0.84 0.91 0.15 -2.22 0.00 -0.89 -0.95 107.32 105.16 2c4i s GLY 251 Ca -0.07 -1.12 0.05 0.00 0.00 0.00 0.00 44.72 43.58 2c4i s GLY 251 CO -0.02 -0.62 -0.11 -0.51 0.00 0.00 0.00 173.10 171.83 2c4i s THR 252 N -2.50 1.23 -0.06 0.90 -4.23 -0.44 -1.51 115.64 109.04 2c4i s THR 252 Ca 0.22 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 2c4i s THR 252 Cb -0.03 -1.78 -0.03 0.00 1.34 0.00 0.00 72.50 71.99 2c4i s THR 252 CO 0.16 -0.67 -0.04 -1.58 -0.54 0.00 0.00 174.62 171.96 2c4i s GLN 253 N -3.50 2.82 -0.01 3.99 0.74 0.33 -0.90 119.66 123.13 2c4i s GLN 253 Ca 0.15 -0.52 -0.29 0.00 0.05 0.00 0.00 55.36 54.76 2c4i s GLN 253 Cb 0.01 -2.66 -0.03 0.00 1.10 0.00 0.00 33.01 31.42 2c4i s GLN 253 CO 0.02 0.67 0.92 1.21 -0.55 0.00 0.00 175.29 177.56 2c4i s ASN 254 N -0.96 7.29 0.00 6.67 3.84 0.05 -4.60 114.94 127.24 2c4i s ASN 254 Ca 0.14 1.57 0.09 0.00 0.21 0.00 0.00 52.86 54.87 2c4i s ASN 254 Cb -0.11 -2.54 0.23 0.00 -0.55 0.00 0.00 41.25 38.28 2c4i s ASN 254 CO 0.03 -0.22 1.14 0.35 -2.79 0.00 0.00 177.10 175.61 2c4i n THR 255 N 3.84 0.83 -2.08 -5.21 -2.24 -1.26 -4.51 114.28 103.65 2c4i n THR 255 Ca 0.04 -0.91 -0.42 0.00 -2.27 0.00 0.00 64.05 60.49 2c4i n THR 255 Cb 0.51 0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 69.33 2c4i n THR 255 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2c4i s ILE 256 N -0.96 3.33 -1.85 2.28 -1.09 -1.26 -1.17 121.20 120.46 2c4i s ILE 256 Ca 0.18 0.78 0.00 0.00 -2.23 0.00 0.00 60.65 59.39 2c4i s ILE 256 Cb 0.10 -3.50 0.00 0.00 -1.58 0.00 0.00 42.46 37.47 2c4i s ILE 256 CO 0.13 0.01 0.00 0.59 -1.23 0.00 0.00 174.94 174.44 2c4i n ASN 257 N 5.25 -5.22 -3.40 3.58 3.02 -1.26 -4.13 115.26 113.10 2c4i n ASN 257 Ca 0.14 0.35 -0.15 0.00 -0.03 0.00 0.00 54.58 54.89 2c4i n ASN 257 Cb 0.42 -4.32 0.00 0.00 -0.61 0.00 0.00 39.78 35.27 2c4i n ASN 257 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2c4i n LYS 258 N -2.53 -0.69 -2.43 3.52 5.02 -0.32 -4.84 118.16 115.88 2c4i n LYS 258 Ca -0.19 0.11 -0.35 0.00 -2.02 0.00 0.00 58.31 55.86 2c4i n LYS 258 Cb 0.61 -0.85 -0.02 0.00 -0.02 0.00 0.00 35.03 34.76 2c4i n LYS 258 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2c4i s ARG 259 N -4.41 3.64 0.44 1.97 1.81 -1.26 -4.94 118.95 116.20 2c4i s ARG 259 Ca 0.09 1.47 0.25 0.00 -1.72 0.00 0.00 55.73 55.81 2c4i s ARG 259 Cb -0.05 -2.07 0.88 0.00 -0.45 0.00 0.00 34.95 33.26 2c4i s ARG 259 CO 0.42 -0.58 1.81 1.79 -0.68 0.00 0.00 175.30 178.05 2c4i h THR 260 N 1.44 0.47 -2.47 0.02 1.35 -1.89 -3.36 112.91 108.46 2c4i h THR 260 Ca -0.50 -1.11 -0.60 0.00 -0.55 0.00 0.00 66.41 63.65 2c4i h THR 260 Cb 1.24 1.79 -0.41 0.00 -1.73 0.00 0.00 68.15 69.04 2c4i h THR 260 CO 0.58 0.20 -0.69 0.00 -0.25 0.00 0.00 175.52 175.36 2c4i n GLN 261 N -3.32 1.87 -2.46 4.72 6.02 -1.26 0.25 117.38 123.19 2c4i n GLN 261 Ca 0.01 -4.30 -0.35 0.00 -0.01 0.00 0.00 57.00 52.34 2c4i n GLN 261 Cb 0.44 -2.08 -0.03 0.00 1.02 0.00 0.00 30.24 29.59 2c4i n GLN 261 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2c4i s PRO 262 N -1.76 3.84 0.72 -1.09 0.04 -1.26 -4.60 135.00 130.89 2c4i s PRO 262 Ca 0.34 1.50 -0.11 0.00 0.04 0.00 0.00 61.00 62.77 2c4i s PRO 262 Cb 0.08 -2.26 0.02 0.00 0.04 0.00 0.00 34.50 32.38 2c4i s PRO 262 CO -0.09 -0.42 1.09 0.95 0.04 0.00 0.00 177.00 178.57 2c4i s THR 263 N -1.79 3.45 0.22 1.26 -4.23 -1.26 -1.77 115.64 111.53 2c4i s THR 263 Ca 0.65 0.47 -0.22 0.00 -1.18 0.00 0.00 61.69 61.41 2c4i s THR 263 Cb -0.21 -3.42 0.04 0.00 1.34 0.00 0.00 72.50 70.26 2c4i s THR 263 CO 0.25 -0.62 0.68 0.72 -0.54 0.00 0.00 174.62 175.11 2c4i s PHE 264 N -3.31 -0.34 0.01 3.99 -0.12 -0.24 -0.77 117.98 117.20 2c4i s PHE 264 Ca 0.59 -0.01 -0.13 0.00 -0.05 0.00 0.00 56.93 57.33 2c4i s PHE 264 Cb -0.12 0.64 0.02 0.00 -0.63 0.00 0.00 43.02 42.93 2c4i s PHE 264 CO 0.52 -1.06 0.27 0.20 -0.05 0.00 0.00 175.22 175.10 2c4i s GLY 265 N -2.84 -0.09 0.10 1.99 0.00 -0.08 -1.97 107.32 104.43 2c4i s GLY 265 Ca 0.07 0.09 -0.15 0.00 0.00 0.00 0.00 44.72 44.72 2c4i s GLY 265 CO -0.02 -0.11 0.36 -0.11 0.00 0.00 0.00 173.10 173.23 2c4i s PHE 266 N -1.84 -0.15 -0.10 1.90 -0.12 -0.10 -1.32 117.98 116.25 2c4i s PHE 266 Ca -0.10 -0.11 0.02 0.00 -0.05 0.00 0.00 56.93 56.69 2c4i s PHE 266 Cb -0.04 0.19 -0.01 0.00 -0.63 0.00 0.00 43.02 42.53 2c4i s PHE 266 CO 0.01 -0.63 -0.18 0.99 -0.05 0.00 0.00 175.22 175.36 2c4i s THR 267 N -3.44 2.67 -0.23 -4.49 2.01 -0.12 -0.66 115.64 111.37 2c4i s THR 267 Ca 0.01 -0.82 -0.06 0.00 0.31 0.00 0.00 61.69 61.13 2c4i s THR 267 Cb 0.02 -2.07 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 2c4i s THR 267 CO -0.09 0.55 0.04 -0.69 -0.69 0.00 0.00 174.62 173.74 2c4i s VAL 268 N 0.12 4.15 -0.72 3.82 1.01 0.16 -1.94 120.40 126.99 2c4i s VAL 268 Ca -0.09 -0.23 -0.17 0.00 0.00 0.00 0.00 61.98 61.49 2c4i s VAL 268 Cb -0.15 -2.91 0.15 0.00 0.00 0.00 0.00 36.38 33.46 2c4i s VAL 268 CO 0.05 0.38 0.78 0.21 0.00 0.00 0.00 175.10 176.53 2c4i s ASN 269 N 1.35 6.45 0.10 3.32 2.47 -0.55 -2.48 114.94 125.59 2c4i s ASN 269 Ca 0.05 -1.97 -0.31 0.00 0.42 0.00 0.00 52.86 51.04 2c4i s ASN 269 Cb -0.15 -2.28 -0.08 0.00 -1.45 0.00 0.00 41.25 37.29 2c4i s ASN 269 CO 0.02 -0.91 1.45 0.26 -3.72 0.00 0.00 177.10 174.20 2c4i s TRP 270 N 1.79 3.05 -0.17 0.43 0.52 -1.22 -3.88 118.94 119.45 2c4i s TRP 270 Ca 0.16 0.80 -0.08 0.00 0.02 0.00 0.00 56.10 57.00 2c4i s TRP 270 Cb -0.17 -3.75 -0.04 0.00 -1.15 0.00 0.00 33.47 28.35 2c4i s TRP 270 CO -0.02 -2.74 0.10 0.15 0.02 0.00 0.00 176.95 174.46 2c4i s LYS 271 N 1.52 3.89 0.00 4.98 -0.14 -1.26 -3.82 119.74 124.91 2c4i s LYS 271 Ca 0.66 -0.25 0.00 0.00 -1.36 0.00 0.00 55.97 55.02 2c4i s LYS 271 Cb -0.37 -3.27 0.00 0.00 -1.68 0.00 0.00 37.83 32.51 2c4i s LYS 271 CO 0.30 0.42 0.00 0.34 -0.76 0.00 0.00 175.35 175.64 2c4i n PHE 272 N 3.12 0.00 1.43 3.18 7.35 -1.26 -1.40 117.46 129.89 2c4i n PHE 272 Ca -0.17 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.63 2c4i n PHE 272 Cb 0.53 -0.81 0.68 0.00 0.35 0.00 0.00 39.48 40.23 2c4i n PHE 272 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45