#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gcm s LEU 2 N 0.00 4.47 -0.17 -0.89 1.02 -1.26 -5.06 118.68 116.79 3gcm s LEU 2 Ca 0.00 1.68 -0.01 0.00 0.02 0.00 0.00 54.13 55.82 3gcm s LEU 2 Cb 0.00 -3.48 0.05 0.00 0.02 0.00 0.00 46.19 42.78 3gcm s LEU 2 CO 0.00 -0.06 -0.02 0.20 0.02 0.00 0.00 176.35 176.49 3gcm s ASN 3 N 0.08 2.84 0.20 2.29 0.01 -1.26 -5.08 114.94 114.03 3gcm s ASN 3 Ca 0.45 -0.71 -0.27 0.00 -0.71 0.00 0.00 52.86 51.62 3gcm s ASN 3 Cb -0.22 -0.81 -0.08 0.00 0.41 0.00 0.00 41.25 40.55 3gcm s ASN 3 CO 0.28 -0.22 0.85 -2.16 -1.51 0.00 0.00 177.10 174.33 3gcm s PRO 4 N 1.70 4.67 -0.33 -0.60 0.04 -1.26 -4.22 135.00 135.01 3gcm s PRO 4 Ca -0.00 1.28 -0.10 0.00 0.04 0.00 0.00 61.00 62.22 3gcm s PRO 4 Cb -0.16 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.15 3gcm s PRO 4 CO -0.07 0.53 0.17 0.42 0.04 0.00 0.00 177.00 178.08 3gcm s ILE 5 N -1.20 4.60 -0.12 0.56 1.01 0.28 -4.98 121.20 121.35 3gcm s ILE 5 Ca 0.39 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.54 3gcm s ILE 5 Cb -0.24 -3.40 0.01 0.00 0.01 0.00 0.00 42.46 38.84 3gcm s ILE 5 CO 0.28 -0.01 -0.22 -0.69 0.00 0.00 0.00 174.94 174.30 3gcm s VAL 6 N 1.60 1.98 -0.12 2.92 1.01 -1.26 -2.00 120.40 124.53 3gcm s VAL 6 Ca 0.04 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.09 3gcm s VAL 6 Cb -0.18 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.48 3gcm s VAL 6 CO 0.06 0.54 -0.19 -0.60 0.00 0.00 0.00 175.10 174.91 3gcm s ARG 7 N 0.60 2.69 0.02 2.72 3.52 -0.58 -5.00 118.95 122.92 3gcm s ARG 7 Ca -0.13 -0.74 0.03 0.00 -0.13 0.00 0.00 55.73 54.77 3gcm s ARG 7 Cb -0.17 -2.20 -0.03 0.00 -1.56 0.00 0.00 34.95 30.99 3gcm s ARG 7 CO 0.03 -0.02 -0.06 0.15 -0.81 0.00 0.00 175.30 174.59 3gcm s LYS 8 N 0.85 2.54 -0.00 5.12 1.02 -1.26 -0.99 119.74 127.02 3gcm s LYS 8 Ca -0.08 -0.74 -0.22 0.00 0.02 0.00 0.00 55.97 54.95 3gcm s LYS 8 Cb -0.15 -2.50 0.05 0.00 -0.52 0.00 0.00 37.83 34.70 3gcm s LYS 8 CO -0.01 0.59 0.49 -0.59 -0.92 0.00 0.00 175.35 174.91 3gcm s PHE 9 N -1.04 -0.40 0.11 3.18 -0.71 -0.64 -5.01 117.98 113.48 3gcm s PHE 9 Ca 0.18 0.58 -0.30 0.00 -1.04 0.00 0.00 56.93 56.35 3gcm s PHE 9 Cb -0.11 0.27 -0.06 0.00 -1.21 0.00 0.00 43.02 41.91 3gcm s PHE 9 CO 0.09 -0.54 1.01 -0.65 -1.34 0.00 0.00 175.22 173.79 3gcm s GLN 10 N -1.69 4.63 -0.35 1.99 -1.52 -1.26 -0.78 119.66 120.68 3gcm s GLN 10 Ca -0.10 1.53 -0.01 0.00 -1.95 0.00 0.00 55.36 54.84 3gcm s GLN 10 Cb -0.02 -3.36 0.12 0.00 -0.22 0.00 0.00 33.01 29.53 3gcm s GLN 10 CO 0.04 0.11 0.17 -0.47 -0.25 0.00 0.00 175.29 174.89 3gcm s TYR 11 N 0.18 1.16 0.00 0.91 5.04 0.36 -4.93 117.35 120.08 3gcm s TYR 11 Ca 0.49 -1.68 0.00 0.00 -2.44 0.00 0.00 57.07 53.44 3gcm s TYR 11 Cb -0.25 -1.33 0.00 0.00 0.35 0.00 0.00 41.96 40.74 3gcm s TYR 11 CO 0.31 -0.83 0.00 0.41 -1.34 0.00 0.00 175.55 174.10 3gcm n GLY 12 N 4.37 2.68 1.29 8.97 0.00 -1.26 -2.39 105.19 118.86 3gcm n GLY 12 Ca 0.04 -0.19 0.09 0.00 0.00 0.00 0.00 46.02 45.97 3gcm n GLY 12 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gcm n GLN 13 N 9.74 3.20 -4.44 1.61 6.02 -1.26 -5.00 117.38 127.24 3gcm n GLN 13 Ca 0.00 -2.66 -0.23 0.00 -0.01 0.00 0.00 57.00 54.10 3gcm n GLN 13 Cb 0.00 -1.67 -0.10 0.00 1.02 0.00 0.00 30.24 29.49 3gcm n GLN 13 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 3gcm s HIS 14 N -1.47 2.15 -0.24 1.08 3.76 -1.00 -5.09 115.29 114.48 3gcm s HIS 14 Ca 0.45 -0.41 -0.07 0.00 -0.15 0.00 0.00 55.06 54.88 3gcm s HIS 14 Cb 0.27 -0.97 -0.03 0.00 1.11 0.00 0.00 32.58 32.96 3gcm s HIS 14 CO 0.25 0.62 0.05 0.99 -0.85 0.00 0.00 174.74 175.80 3gcm s THR 15 N -2.64 4.22 -0.24 1.30 2.01 -1.26 -0.49 115.64 118.55 3gcm s THR 15 Ca 0.28 -0.21 -0.10 0.00 0.31 0.00 0.00 61.69 61.97 3gcm s THR 15 Cb -0.03 -2.96 -0.05 0.00 0.01 0.00 0.00 72.50 69.47 3gcm s THR 15 CO 0.13 0.37 0.16 -0.69 -0.69 0.00 0.00 174.62 173.89 3gcm s VAL 16 N 1.44 5.35 -0.14 3.82 1.01 0.04 -3.07 120.40 128.86 3gcm s VAL 16 Ca 0.05 0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.20 3gcm s VAL 16 Cb -0.15 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 3gcm s VAL 16 CO 0.03 0.35 -0.10 -0.89 0.00 0.00 0.00 175.10 174.49 3gcm s THR 17 N 1.01 3.37 -0.20 3.92 2.01 0.29 -1.62 115.64 124.44 3gcm s THR 17 Ca 0.07 -0.55 -0.01 0.00 0.31 0.00 0.00 61.69 61.52 3gcm s THR 17 Cb -0.13 -2.44 0.01 0.00 0.01 0.00 0.00 72.50 69.95 3gcm s THR 17 CO 0.04 0.52 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.59 3gcm s LEU 18 N 0.30 2.45 -0.09 4.42 1.43 -0.16 -1.30 118.68 125.73 3gcm s LEU 18 Ca -0.08 -0.54 0.04 0.00 -1.03 0.00 0.00 54.13 52.52 3gcm s LEU 18 Cb -0.15 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.49 3gcm s LEU 18 CO 0.05 -0.00 -0.21 -0.70 0.23 0.00 0.00 176.35 175.71 3gcm s GLU 19 N 1.35 2.65 0.06 1.70 2.12 -0.63 -1.52 118.70 124.42 3gcm s GLU 19 Ca 0.05 -0.75 -0.05 0.00 0.36 0.00 0.00 54.97 54.58 3gcm s GLU 19 Cb -0.14 -2.04 -0.02 0.00 0.26 0.00 0.00 34.13 32.20 3gcm s GLU 19 CO -0.09 0.14 0.08 -0.08 -0.54 0.00 0.00 175.26 174.78 3gcm s THR 20 N 0.41 0.17 0.00 -1.70 -1.32 -0.85 -0.64 115.64 111.72 3gcm s THR 20 Ca -0.17 -1.39 0.00 0.00 -1.21 0.00 0.00 61.69 58.92 3gcm s THR 20 Cb -0.17 -1.28 0.00 0.00 -1.51 0.00 0.00 72.50 69.54 3gcm s THR 20 CO 0.07 -0.77 0.00 0.61 -2.21 0.00 0.00 174.62 172.33 3gcm n GLY 21 N 0.24 2.64 0.00 6.08 0.00 -1.26 -0.56 105.19 112.33 3gcm n GLY 21 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3gcm n GLY 21 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3gcm n MET 22 N -0.82 1.85 -4.31 1.61 0.00 -1.26 -4.71 117.12 109.47 3gcm n MET 22 Ca 0.00 -0.01 -0.35 0.00 0.00 0.00 0.00 57.70 57.34 3gcm n MET 22 Cb 0.00 -1.03 -0.10 0.00 0.00 0.00 0.00 33.22 32.09 3gcm n MET 22 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 175.97 174.33 3gcm s MET 23 N -2.06 3.17 -1.01 3.17 -1.94 -1.26 -4.71 119.30 114.66 3gcm s MET 23 Ca -0.01 -0.39 -0.13 0.00 -1.71 0.00 0.00 55.69 53.45 3gcm s MET 23 Cb 0.01 -2.87 -0.01 0.00 2.01 0.00 0.00 34.83 33.97 3gcm s MET 23 CO 0.05 0.63 0.75 0.00 -0.01 0.00 0.00 175.02 176.43 3gcm n ALA 24 N 2.39 -2.59 1.02 3.03 0.00 -1.26 -4.75 120.51 118.34 3gcm n ALA 24 Ca -0.18 -0.20 0.13 0.00 0.00 0.00 0.00 53.44 53.18 3gcm n ALA 24 Cb 0.53 -3.07 0.59 0.00 0.00 0.00 0.00 19.45 17.51 3gcm n ALA 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3gcm n ARG 25 N -3.45 0.14 0.10 0.00 1.74 -1.26 -3.14 116.66 110.79 3gcm n ARG 25 Ca -0.12 0.05 0.12 0.00 -0.77 0.00 0.00 57.85 57.13 3gcm n ARG 25 Cb 0.59 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.55 3gcm n ARG 25 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3gcm h GLN 26 N 0.00 0.00 -7.20 5.56 4.20 -2.00 -3.46 115.11 112.20 3gcm h GLN 26 Ca 0.00 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.20 3gcm h GLN 26 Cb 0.37 0.00 0.12 0.00 0.30 0.00 0.00 27.48 28.26 3gcm h GLN 26 CO 0.00 0.00 0.37 0.00 -0.67 0.00 0.00 178.83 178.53 3gcm s ALA 27 N -3.34 2.37 0.24 3.87 0.00 -1.19 -4.94 121.76 118.77 3gcm s ALA 27 Ca 0.00 0.59 -0.06 0.00 0.00 0.00 0.00 51.96 52.50 3gcm s ALA 27 Cb 0.10 -3.34 0.36 0.00 0.00 0.00 0.00 23.12 20.23 3gcm s ALA 27 CO 0.78 -1.45 1.81 1.15 0.00 0.00 0.00 175.76 178.05 3gcm h THR 28 N -0.15 0.92 -2.40 0.00 2.02 -1.62 -3.44 112.91 108.25 3gcm h THR 28 Ca -0.47 -0.26 -0.08 0.00 0.77 0.00 0.00 66.41 66.38 3gcm h THR 28 Cb 1.25 0.09 -0.19 0.00 -1.74 0.00 0.00 68.15 67.57 3gcm h THR 28 CO 0.53 0.14 0.03 0.00 0.37 0.00 0.00 175.52 176.59 3gcm s ALA 29 N -6.05 -1.42 -0.09 6.16 0.00 -1.07 -4.65 121.76 114.64 3gcm s ALA 29 Ca -0.12 0.94 -0.06 0.00 0.00 0.00 0.00 51.96 52.71 3gcm s ALA 29 Cb 0.18 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.41 3gcm s ALA 29 CO 0.78 -0.35 0.22 0.00 0.00 0.00 0.00 175.76 176.40 3gcm s ALA 30 N -1.37 -0.50 -0.02 0.00 0.00 -1.26 -0.99 121.76 117.61 3gcm s ALA 30 Ca -0.11 0.79 0.02 0.00 0.00 0.00 0.00 51.96 52.66 3gcm s ALA 30 Cb -0.02 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.62 3gcm s ALA 30 CO 0.07 -0.15 -0.06 0.08 0.00 0.00 0.00 175.76 175.70 3gcm s VAL 31 N 0.79 0.56 -0.41 0.00 1.01 0.41 -4.41 120.40 118.35 3gcm s VAL 31 Ca -0.06 -0.23 -0.15 0.00 0.00 0.00 0.00 61.98 61.55 3gcm s VAL 31 Cb -0.07 -0.52 0.03 0.00 0.00 0.00 0.00 36.38 35.82 3gcm s VAL 31 CO -0.05 0.19 0.30 -0.32 0.00 0.00 0.00 175.10 175.22 3gcm s MET 32 N 0.31 2.95 -0.15 2.72 0.00 0.19 -0.67 119.30 124.65 3gcm s MET 32 Ca -0.04 -1.07 -0.05 0.00 0.00 0.00 0.00 55.69 54.53 3gcm s MET 32 Cb -0.08 -3.96 -0.04 0.00 0.00 0.00 0.00 34.83 30.75 3gcm s MET 32 CO 0.00 -0.78 0.03 0.08 0.00 0.00 0.00 175.02 174.36 3gcm s VAL 33 N 1.66 4.53 -0.02 10.11 1.01 -0.73 -1.61 120.40 135.35 3gcm s VAL 33 Ca 0.05 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.91 3gcm s VAL 33 Cb -0.20 -2.99 -0.00 0.00 0.00 0.00 0.00 36.38 33.19 3gcm s VAL 33 CO 0.09 0.51 -0.10 -0.44 0.00 0.00 0.00 175.10 175.16 3gcm s SER 34 N 0.01 1.28 -0.35 3.32 0.01 -0.42 -1.06 113.70 116.49 3gcm s SER 34 Ca 0.04 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.11 3gcm s SER 34 Cb -0.12 -0.28 0.11 0.00 0.21 0.00 0.00 66.02 65.94 3gcm s SER 34 CO 0.01 0.09 0.15 -0.32 0.41 0.00 0.00 173.24 173.59 3gcm s MET 35 N 0.04 0.89 -0.79 12.44 1.75 -0.03 -0.55 119.30 133.05 3gcm s MET 35 Ca -0.01 -1.40 -0.01 0.00 -1.25 0.00 0.00 55.69 53.03 3gcm s MET 35 Cb -0.07 -2.07 0.00 0.00 2.84 0.00 0.00 34.83 35.53 3gcm s MET 35 CO 0.00 -1.06 0.64 -0.25 -0.65 0.00 0.00 175.02 173.70 3gcm n ASP 36 N 4.37 -5.85 0.00 1.11 9.92 -1.17 -2.85 116.55 122.07 3gcm n ASP 36 Ca 0.02 -0.66 0.00 0.00 -0.53 0.00 0.00 54.79 53.63 3gcm n ASP 36 Cb 0.39 -2.90 0.00 0.00 -0.64 0.00 0.00 41.12 37.98 3gcm n ASP 36 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3gcm n ASP 37 N -2.31 0.00 -4.40 -2.24 9.92 -1.26 -4.59 116.55 111.68 3gcm n ASP 37 Ca -0.21 0.00 -0.39 0.00 -0.53 0.00 0.00 54.79 53.66 3gcm n ASP 37 Cb 0.63 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.99 3gcm n ASP 37 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3gcm s THR 38 N -2.90 4.41 -0.04 -3.53 2.01 -1.13 -3.57 115.64 110.88 3gcm s THR 38 Ca 0.00 -0.58 0.04 0.00 0.31 0.00 0.00 61.69 61.46 3gcm s THR 38 Cb 0.00 -3.30 -0.00 0.00 0.01 0.00 0.00 72.50 69.21 3gcm s THR 38 CO 0.00 0.01 -0.17 0.00 -0.69 0.00 0.00 174.62 173.77 3gcm s ALA 39 N 1.57 1.52 -0.07 7.40 0.00 0.59 -0.85 121.76 131.92 3gcm s ALA 39 Ca 0.03 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.31 3gcm s ALA 39 Cb -0.17 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.47 3gcm s ALA 39 CO 0.05 0.29 -0.09 0.08 0.00 0.00 0.00 175.76 176.09 3gcm s VAL 40 N -0.03 0.97 -0.36 0.00 1.01 -0.22 -1.66 120.40 120.10 3gcm s VAL 40 Ca -0.02 -0.35 -0.17 0.00 0.00 0.00 0.00 61.98 61.43 3gcm s VAL 40 Cb -0.11 -0.92 -0.00 0.00 0.00 0.00 0.00 36.38 35.35 3gcm s VAL 40 CO 0.02 0.33 0.45 0.12 0.00 0.00 0.00 175.10 176.01 3gcm s PHE 41 N 0.93 3.19 -0.13 5.22 5.36 0.20 -1.77 117.98 130.97 3gcm s PHE 41 Ca -0.10 0.01 0.00 0.00 -0.96 0.00 0.00 56.93 55.89 3gcm s PHE 41 Cb -0.15 -2.83 -0.01 0.00 -0.34 0.00 0.00 43.02 39.69 3gcm s PHE 41 CO 0.01 -0.53 -0.15 0.08 -1.46 0.00 0.00 175.22 173.17 3gcm s VAL 42 N 2.22 2.87 0.10 3.12 1.01 0.15 -1.26 120.40 128.62 3gcm s VAL 42 Ca 0.15 -0.72 0.09 0.00 0.00 0.00 0.00 61.98 61.50 3gcm s VAL 42 Cb -0.16 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3gcm s VAL 42 CO 0.13 0.52 -0.23 0.42 0.00 0.00 0.00 175.10 175.94 3gcm s THR 43 N 0.47 1.91 -0.04 3.92 -4.23 -0.36 -0.44 115.64 116.87 3gcm s THR 43 Ca -0.10 -1.58 0.04 0.00 -1.18 0.00 0.00 61.69 58.87 3gcm s THR 43 Cb -0.16 -1.71 -0.00 0.00 1.34 0.00 0.00 72.50 71.97 3gcm s THR 43 CO 0.05 0.03 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.32 3gcm s VAL 44 N -1.08 1.26 -0.14 2.29 1.01 -0.16 -1.35 120.40 122.23 3gcm s VAL 44 Ca 0.09 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.44 3gcm s VAL 44 Cb -0.10 -1.09 0.02 0.00 0.00 0.00 0.00 36.38 35.22 3gcm s VAL 44 CO 0.05 0.37 -0.12 -0.69 0.00 0.00 0.00 175.10 174.70 3gcm s VAL 45 N 0.02 1.44 -0.20 2.92 1.01 -0.64 -1.57 120.40 123.38 3gcm s VAL 45 Ca -0.02 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 3gcm s VAL 45 Cb -0.10 -1.39 -0.00 0.00 0.00 0.00 0.00 36.38 34.88 3gcm s VAL 45 CO 0.01 0.41 -0.09 -0.83 0.00 0.00 0.00 175.10 174.61 3gcm s GLY 46 N 1.53 1.56 0.19 4.51 0.00 -1.26 -1.64 107.32 112.21 3gcm s GLY 46 Ca 0.04 -1.12 -0.30 0.00 0.00 0.00 0.00 44.72 43.34 3gcm s GLY 46 CO -0.10 0.29 1.31 1.20 0.00 0.00 0.00 173.10 175.80 3gcm s GLN 47 N 1.24 4.39 0.26 2.90 -0.21 -0.46 -4.94 119.66 122.83 3gcm s GLN 47 Ca 0.03 2.04 -0.03 0.00 0.02 0.00 0.00 55.36 57.42 3gcm s GLN 47 Cb -0.14 -3.21 0.32 0.00 1.00 0.00 0.00 33.01 30.98 3gcm s GLN 47 CO -0.03 -0.27 1.78 0.87 -2.12 0.00 0.00 175.29 175.52 3gcm h LYS 48 N 5.56 0.87 -5.60 2.91 1.79 -1.99 -3.41 116.57 116.68 3gcm h LYS 48 Ca -0.44 -0.21 -0.66 0.00 -2.18 0.00 0.00 60.65 57.16 3gcm h LYS 48 Cb 1.21 -0.11 -0.21 0.00 -1.58 0.00 0.00 32.23 31.54 3gcm h LYS 48 CO 0.78 0.82 -0.68 0.15 -1.08 0.00 0.00 179.45 179.44 3gcm s LYS 49 N -5.13 3.32 0.38 3.15 1.02 -1.26 -5.07 119.74 116.16 3gcm s LYS 49 Ca -0.10 -0.53 -0.25 0.00 0.02 0.00 0.00 55.97 55.11 3gcm s LYS 49 Cb 0.15 -2.79 -0.09 0.00 -0.52 0.00 0.00 37.83 34.58 3gcm s LYS 49 CO 0.81 0.40 1.03 0.00 -0.92 0.00 0.00 175.35 176.68 3gcm s ALA 50 N -0.09 3.13 0.34 5.17 0.00 -1.26 -4.72 121.76 124.33 3gcm s ALA 50 Ca 0.02 0.67 -0.29 0.00 0.00 0.00 0.00 51.96 52.36 3gcm s ALA 50 Cb -0.13 -3.25 -0.10 0.00 0.00 0.00 0.00 23.12 19.63 3gcm s ALA 50 CO 0.03 -0.12 1.37 0.15 0.00 0.00 0.00 175.76 177.18 3gcm s LYS 51 N -2.36 4.28 0.03 0.00 -0.14 -1.26 -4.94 119.74 115.35 3gcm s LYS 51 Ca 0.55 2.33 -0.06 0.00 -1.36 0.00 0.00 55.97 57.43 3gcm s LYS 51 Cb -0.22 -3.04 -0.01 0.00 -1.68 0.00 0.00 37.83 32.88 3gcm s LYS 51 CO 0.27 -0.31 0.53 -2.30 -0.76 0.00 0.00 175.35 172.79 3gcm n PRO 52 N 0.83 -0.09 -1.84 -1.68 -0.02 -1.26 -1.95 135.00 128.99 3gcm n PRO 52 Ca 0.01 0.53 -0.29 0.00 -2.02 0.00 0.00 63.50 61.72 3gcm n PRO 52 Cb 0.41 -0.78 0.04 0.00 -0.02 0.00 0.00 33.50 33.15 3gcm n PRO 52 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gcm n GLY 53 N -1.05 6.13 3.72 -1.23 0.00 -1.26 -5.03 105.19 106.47 3gcm n GLY 53 Ca 0.00 -2.55 -0.41 0.00 0.00 0.00 0.00 46.02 43.06 3gcm n GLY 53 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3gcm s GLN 54 N -3.70 4.57 0.00 1.61 2.00 -0.82 -4.93 119.66 118.38 3gcm s GLN 54 Ca 0.55 1.35 0.00 0.00 -2.00 0.00 0.00 55.36 55.27 3gcm s GLN 54 Cb 0.44 -3.44 0.00 0.00 0.80 0.00 0.00 33.01 30.82 3gcm s GLN 54 CO -0.03 0.03 0.47 -0.40 -0.50 0.00 0.00 175.29 174.86 3gcm n ASP 55 N 3.62 0.68 -4.16 6.67 5.75 -1.26 -5.00 116.55 122.84 3gcm n ASP 55 Ca 0.04 -1.22 -0.18 0.00 -0.01 0.00 0.00 54.79 53.41 3gcm n ASP 55 Cb 0.51 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.47 3gcm n ASP 55 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 3gcm s PHE 56 N -0.22 1.19 -0.40 2.11 -0.12 -1.26 -5.12 117.98 114.16 3gcm s PHE 56 Ca 0.00 -0.44 -0.29 0.00 -0.05 0.00 0.00 56.93 56.15 3gcm s PHE 56 Cb 0.00 -0.68 0.02 0.00 -0.63 0.00 0.00 43.02 41.73 3gcm s PHE 56 CO 0.00 0.05 1.14 0.12 -0.05 0.00 0.00 175.22 176.48 3gcm s PHE 57 N -1.19 2.91 -0.77 3.49 5.36 -1.26 -4.88 117.98 121.64 3gcm s PHE 57 Ca -0.02 0.90 -0.21 0.00 -0.96 0.00 0.00 56.93 56.65 3gcm s PHE 57 Cb -0.10 -4.12 0.09 0.00 -0.34 0.00 0.00 43.02 38.56 3gcm s PHE 57 CO 0.02 -1.15 1.03 -1.25 -1.46 0.00 0.00 175.22 172.41 3gcm s PRO 58 N 4.16 3.30 -0.16 10.12 0.05 -1.26 -5.00 135.00 146.21 3gcm s PRO 58 Ca 0.48 -1.20 -0.02 0.00 0.05 0.00 0.00 61.00 60.32 3gcm s PRO 58 Cb -0.10 -4.52 -0.01 0.00 0.05 0.00 0.00 34.50 29.92 3gcm s PRO 58 CO 0.25 -1.80 -0.10 -1.17 0.05 0.00 0.00 177.00 174.23 3gcm s LEU 59 N 3.54 2.81 -0.09 -3.56 2.96 -1.26 -1.58 118.68 121.50 3gcm s LEU 59 Ca 0.26 -0.34 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 3gcm s LEU 59 Cb -0.12 -1.66 0.01 0.00 0.50 0.00 0.00 46.19 44.92 3gcm s LEU 59 CO 0.02 0.10 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.12 3gcm s THR 60 N 0.74 1.39 -0.21 3.68 2.01 -0.60 -5.02 115.64 117.63 3gcm s THR 60 Ca -0.04 -0.60 -0.03 0.00 0.31 0.00 0.00 61.69 61.33 3gcm s THR 60 Cb -0.15 -1.26 -0.00 0.00 0.01 0.00 0.00 72.50 71.09 3gcm s THR 60 CO 0.02 0.42 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.59 3gcm s VAL 61 N 0.80 3.10 -0.24 3.82 1.01 -1.26 -0.40 120.40 127.23 3gcm s VAL 61 Ca -0.11 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 3gcm s VAL 61 Cb -0.16 -2.39 0.01 0.00 0.00 0.00 0.00 36.38 33.85 3gcm s VAL 61 CO 0.02 0.45 -0.04 0.20 0.00 0.00 0.00 175.10 175.73 3gcm s ASN 62 N 1.35 4.37 -0.18 3.32 0.01 0.65 -4.89 114.94 119.57 3gcm s ASN 62 Ca 0.04 -0.72 -0.03 0.00 -0.71 0.00 0.00 52.86 51.45 3gcm s ASN 62 Cb -0.14 -1.71 -0.02 0.00 0.41 0.00 0.00 41.25 39.80 3gcm s ASN 62 CO -0.05 -0.10 -0.06 -0.47 -1.51 0.00 0.00 177.10 174.91 3gcm s TYR 63 N 1.39 2.94 -0.03 2.20 5.04 -1.26 -0.60 117.35 127.03 3gcm s TYR 63 Ca 0.02 -0.65 0.01 0.00 -2.44 0.00 0.00 57.07 54.01 3gcm s TYR 63 Cb -0.16 -2.00 0.02 0.00 0.35 0.00 0.00 41.96 40.17 3gcm s TYR 63 CO -0.04 -0.30 -0.02 1.14 -1.34 0.00 0.00 175.55 175.00 3gcm s GLN 64 N 0.85 0.44 -0.24 4.97 -2.07 -0.29 -4.79 119.66 118.53 3gcm s GLN 64 Ca -0.02 -0.02 -0.10 0.00 -1.82 0.00 0.00 55.36 53.41 3gcm s GLN 64 Cb -0.15 -0.53 -0.04 0.00 -1.09 0.00 0.00 33.01 31.20 3gcm s GLN 64 CO 0.01 -0.07 0.14 -1.21 -1.32 0.00 0.00 175.29 172.84 3gcm s GLU 65 N 0.73 3.94 -0.07 9.60 2.02 -1.26 -1.34 118.70 132.32 3gcm s GLU 65 Ca -0.08 -0.34 -0.18 0.00 0.02 0.00 0.00 54.97 54.40 3gcm s GLU 65 Cb -0.11 -3.48 -0.05 0.00 0.10 0.00 0.00 34.13 30.59 3gcm s GLU 65 CO -0.01 -0.03 0.48 1.03 0.02 0.00 0.00 175.26 176.75 3gcm s ARG 66 N 1.27 4.25 0.39 1.61 1.81 -1.10 -4.96 118.95 122.22 3gcm s ARG 66 Ca 0.06 0.48 0.28 0.00 -1.72 0.00 0.00 55.73 54.83 3gcm s ARG 66 Cb -0.14 -3.37 1.08 0.00 -0.45 0.00 0.00 34.95 32.06 3gcm s ARG 66 CO 0.06 0.31 1.82 1.79 -0.68 0.00 0.00 175.30 178.60 3gcm h THR 67 N 4.40 0.00 0.00 0.02 1.35 -1.88 -2.33 112.91 114.46 3gcm h THR 67 Ca -0.44 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 3gcm h THR 67 Cb 1.19 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 3gcm h THR 67 CO 0.72 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.99 3gcm n TYR 68 N -2.66 0.73 0.17 4.73 4.11 -1.21 -1.44 117.16 121.59 3gcm n TYR 68 Ca 0.02 0.28 0.03 0.00 -0.00 0.00 0.00 57.90 58.24 3gcm n TYR 68 Cb 0.30 -0.96 0.43 0.00 -0.00 0.00 0.00 39.34 39.11 3gcm n TYR 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3gcm h ALA 69 N 2.31 1.56 -0.32 -3.48 0.00 -1.58 -2.79 119.26 114.96 3gcm h ALA 69 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3gcm h ALA 69 Cb 0.37 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3gcm h ALA 69 CO 0.00 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.57 3gcm n ALA 70 N -2.49 2.38 -2.61 0.00 0.00 -0.99 -2.24 120.51 114.55 3gcm n ALA 70 Ca -0.02 -0.96 -0.10 0.00 0.00 0.00 0.00 53.44 52.36 3gcm n ALA 70 Cb 0.28 -0.68 0.02 0.00 0.00 0.00 0.00 19.45 19.06 3gcm n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gcm n GLY 71 N 1.13 0.16 3.35 0.00 0.00 -1.05 -5.05 105.19 103.72 3gcm n GLY 71 Ca 0.15 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 3gcm n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gcm s ARG 72 N -5.06 1.31 -0.15 1.61 0.52 -0.52 -5.00 118.95 111.65 3gcm s ARG 72 Ca 0.14 -1.41 -0.06 0.00 -0.52 0.00 0.00 55.73 53.88 3gcm s ARG 72 Cb -0.06 -1.43 -0.04 0.00 0.52 0.00 0.00 34.95 33.94 3gcm s ARG 72 CO 0.17 0.30 0.04 0.42 0.02 0.00 0.00 175.30 176.25 3gcm s ILE 73 N -1.91 4.58 0.29 1.52 1.01 -1.26 -3.31 121.20 122.12 3gcm s ILE 73 Ca 0.16 -0.12 -0.29 0.00 0.00 0.00 0.00 60.65 60.40 3gcm s ILE 73 Cb -0.06 -3.02 -0.13 0.00 0.01 0.00 0.00 42.46 39.25 3gcm s ILE 73 CO 0.07 0.51 1.18 -2.65 0.00 0.00 0.00 174.94 174.05 3gcm n PRO 74 N 3.11 1.72 0.04 2.79 -0.02 -1.26 -4.88 135.00 136.49 3gcm n PRO 74 Ca -0.17 0.60 0.12 0.00 -2.02 0.00 0.00 63.50 62.03 3gcm n PRO 74 Cb 0.53 -2.10 0.48 0.00 -0.02 0.00 0.00 33.50 32.39 3gcm n PRO 74 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gcm n GLY 75 N 1.25 -1.42 3.75 -1.23 0.00 -1.26 -4.38 105.19 101.90 3gcm n GLY 75 Ca 0.08 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 3gcm n GLY 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gcm s SER 76 N -3.54 4.12 0.42 1.61 1.04 -1.26 -4.90 113.70 111.19 3gcm s SER 76 Ca 0.10 1.84 0.17 0.00 0.48 0.00 0.00 55.95 58.54 3gcm s SER 76 Cb 0.14 -2.49 1.07 0.00 0.10 0.00 0.00 66.02 64.84 3gcm s SER 76 CO 0.47 -2.28 1.89 0.15 0.98 0.00 0.00 173.24 174.45 3gcm h PHE 77 N -1.30 0.51 -0.01 5.02 3.57 -1.94 -0.52 116.94 122.27 3gcm h PHE 77 Ca -0.44 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.07 3gcm h PHE 77 Cb 1.24 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.82 3gcm h PHE 77 CO 0.55 0.17 -0.25 1.19 -2.23 0.00 0.00 178.31 177.73 3gcm n PHE 78 N -4.49 0.00 -3.01 0.41 3.72 -1.26 -4.95 117.46 107.88 3gcm n PHE 78 Ca 0.17 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.35 3gcm n PHE 78 Cb 0.61 -0.11 0.02 0.00 -0.94 0.00 0.00 39.48 39.07 3gcm n PHE 78 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3gcm n ARG 79 N -0.56 -4.23 -3.87 -1.08 5.12 -0.20 -4.98 116.66 106.85 3gcm n ARG 79 Ca 0.12 0.82 -0.11 0.00 -1.93 0.00 0.00 57.85 56.75 3gcm n ARG 79 Cb 0.36 -5.63 -0.11 0.00 -1.16 0.00 0.00 32.46 25.91 3gcm n ARG 79 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3gcm s ARG 80 N -5.68 0.31 0.20 5.56 3.52 -1.26 -4.34 118.95 117.26 3gcm s ARG 80 Ca 0.28 -0.21 -0.30 0.00 -0.13 0.00 0.00 55.73 55.37 3gcm s ARG 80 Cb -0.13 0.13 -0.09 0.00 -1.56 0.00 0.00 34.95 33.30 3gcm s ARG 80 CO 0.35 -0.06 1.39 -1.21 -0.81 0.00 0.00 175.30 174.96 3gcm s GLU 81 N -0.81 4.32 0.00 5.12 8.01 -1.26 -4.83 118.70 129.25 3gcm s GLU 81 Ca -0.09 2.18 0.00 0.00 0.01 0.00 0.00 54.97 57.07 3gcm s GLU 81 Cb -0.05 -3.17 0.00 0.00 -4.31 0.00 0.00 34.13 26.60 3gcm s GLU 81 CO 0.01 -0.37 0.00 0.41 0.01 0.00 0.00 175.26 175.32 3gcm n GLY 82 N 2.57 2.53 3.77 -1.39 0.00 -1.26 -5.09 105.19 106.32 3gcm n GLY 82 Ca 0.08 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 3gcm n GLY 82 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gcm s ARG 83 N 4.26 4.22 0.22 1.61 3.03 -1.26 -4.92 118.95 126.11 3gcm s ARG 83 Ca 0.00 2.40 -0.32 0.00 2.03 0.00 0.00 55.73 59.85 3gcm s ARG 83 Cb 0.00 -3.03 -0.14 0.00 -1.03 0.00 0.00 34.95 30.75 3gcm s ARG 83 CO 0.00 -0.39 1.32 -0.35 -1.13 0.00 0.00 175.30 174.75 3gcm n PRO 84 N 0.95 1.76 -1.54 3.89 -0.04 -1.26 -4.99 135.00 133.76 3gcm n PRO 84 Ca 0.02 0.63 -0.29 0.00 -0.04 0.00 0.00 63.50 63.81 3gcm n PRO 84 Cb 0.40 -2.23 0.18 0.00 -0.04 0.00 0.00 33.50 31.82 3gcm n PRO 84 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3gcm s SER 85 N 0.17 2.66 0.44 3.54 1.04 -1.26 -4.79 113.70 115.50 3gcm s SER 85 Ca 0.69 0.64 0.14 0.00 0.48 0.00 0.00 55.95 57.90 3gcm s SER 85 Cb -0.71 -0.94 1.05 0.00 0.10 0.00 0.00 66.02 65.52 3gcm s SER 85 CO 0.51 -3.05 2.01 -0.08 0.98 0.00 0.00 173.24 173.61 3gcm h GLU 86 N -1.85 0.36 -0.07 4.02 4.81 -2.00 -1.66 114.58 118.19 3gcm h GLU 86 Ca -0.47 -0.02 -0.24 0.00 -0.13 0.00 0.00 59.36 58.50 3gcm h GLU 86 Cb 1.29 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 30.60 3gcm h GLU 86 CO 0.46 0.24 -0.92 0.78 -0.73 0.00 0.00 179.01 178.84 3gcm h GLY 87 N 0.37 0.80 1.84 1.92 0.00 -2.00 -2.83 103.07 103.16 3gcm h GLY 87 Ca 0.23 -1.27 -0.12 0.00 0.00 0.00 0.00 47.33 46.18 3gcm h GLY 87 CO -0.06 1.12 -0.48 0.83 0.00 0.00 0.00 176.54 177.95 3gcm h GLU 88 N 0.45 0.18 -0.50 4.80 5.08 -1.78 -2.57 114.58 120.23 3gcm h GLU 88 Ca -0.09 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 58.07 3gcm h GLU 88 Cb 1.56 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.80 3gcm h GLU 88 CO 0.18 0.63 -0.10 1.15 -1.00 0.00 0.00 179.01 179.86 3gcm h THR 89 N 0.14 1.27 -0.61 1.13 2.02 -1.34 -2.33 112.91 113.19 3gcm h THR 89 Ca 0.01 -1.24 -0.08 0.00 0.77 0.00 0.00 66.41 65.86 3gcm h THR 89 Cb 0.91 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 3gcm h THR 89 CO 0.07 0.43 0.05 -0.07 0.37 0.00 0.00 175.52 176.37 3gcm h LEU 90 N 0.81 1.00 -0.59 2.58 3.38 -1.31 -2.38 115.31 118.81 3gcm h LEU 90 Ca 0.13 -0.26 -0.16 0.00 0.09 0.00 0.00 57.88 57.69 3gcm h LEU 90 Cb 0.66 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3gcm h LEU 90 CO 0.05 1.03 -0.64 0.40 0.09 0.00 0.00 178.44 179.36 3gcm h ILE 91 N 0.96 1.39 -0.54 1.22 2.04 -1.47 -1.59 117.51 119.53 3gcm h ILE 91 Ca 0.18 -2.05 -0.02 0.00 1.00 0.00 0.00 64.86 63.98 3gcm h ILE 91 Cb 0.49 2.05 -0.03 0.00 -0.74 0.00 0.00 36.82 38.58 3gcm h ILE 91 CO 0.02 0.61 0.27 0.00 0.00 0.00 0.00 178.15 179.05 3gcm h ALA 92 N 1.14 1.46 -0.11 1.87 0.00 -1.23 -2.12 119.26 120.26 3gcm h ALA 92 Ca -0.01 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 3gcm h ALA 92 Cb 1.16 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3gcm h ALA 92 CO 0.10 0.44 -0.65 0.00 0.00 0.00 0.00 179.25 179.14 3gcm h ARG 93 N 0.76 0.44 0.00 0.00 3.08 -1.13 -1.78 114.38 115.75 3gcm h ARG 93 Ca 0.19 -0.32 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 3gcm h ARG 93 Cb 0.06 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 3gcm h ARG 93 CO -0.03 0.94 -0.11 -0.07 -1.07 0.00 0.00 179.97 179.64 3gcm h LEU 94 N 0.32 0.00 0.17 3.04 3.38 -0.75 -0.69 115.31 120.77 3gcm h LEU 94 Ca -0.02 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.66 3gcm h LEU 94 Cb 1.21 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.97 3gcm h LEU 94 CO 0.11 0.11 -1.43 0.40 0.09 0.00 0.00 178.44 177.73 3gcm h ILE 95 N 0.00 1.13 -0.31 1.22 2.04 -1.32 -3.40 117.51 116.87 3gcm h ILE 95 Ca -0.00 -2.51 -0.07 0.00 1.00 0.00 0.00 64.86 63.27 3gcm h ILE 95 Cb 0.20 2.88 -0.01 0.00 -0.74 0.00 0.00 36.82 39.15 3gcm h ILE 95 CO 0.01 0.77 -0.09 -0.78 0.00 0.00 0.00 178.15 178.07 3gcm h ASP 96 N -0.11 0.62 -0.63 1.72 1.82 -1.07 -3.29 116.42 115.49 3gcm h ASP 96 Ca -0.28 -0.37 0.00 0.00 -0.39 0.00 0.00 57.03 55.99 3gcm h ASP 96 Cb 1.92 -0.17 -0.03 0.00 0.68 0.00 0.00 39.33 41.73 3gcm h ASP 96 CO 0.15 0.85 0.40 0.03 -1.61 0.00 0.00 179.24 179.06 3gcm h ARG 97 N 0.38 0.83 0.00 0.28 3.08 -1.33 -1.68 114.38 115.94 3gcm h ARG 97 Ca 0.08 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 3gcm h ARG 97 Cb 0.59 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3gcm h ARG 97 CO 0.03 0.57 -0.43 -1.00 -1.07 0.00 0.00 179.97 178.07 3gcm h PRO 98 N 0.85 0.00 0.00 0.04 0.13 -1.77 -3.36 132.00 127.89 3gcm h PRO 98 Ca 0.23 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.13 3gcm h PRO 98 Cb -0.07 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.02 3gcm h PRO 98 CO -0.05 0.43 -1.25 -0.84 -0.23 0.00 0.00 178.00 176.07 3gcm h ILE 99 N 0.00 1.20 -0.38 -3.56 3.07 -1.57 -3.39 117.51 112.88 3gcm h ILE 99 Ca -0.00 -2.91 0.04 0.00 1.55 0.00 0.00 64.86 63.54 3gcm h ILE 99 Cb 1.28 2.57 -0.04 0.00 -0.27 0.00 0.00 36.82 40.36 3gcm h ILE 99 CO 0.06 0.68 0.14 -0.09 -1.05 0.00 0.00 178.15 177.89 3gcm h ARG 100 N 0.00 0.30 0.00 0.16 2.43 -1.46 -2.55 114.38 113.26 3gcm h ARG 100 Ca -0.12 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 3gcm h ARG 100 Cb 1.80 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 31.28 3gcm h ARG 100 CO 0.10 0.20 0.00 -2.30 -1.51 0.00 0.00 179.97 176.45 3gcm n PRO 101 N -5.00 0.05 0.03 0.20 -0.02 -1.26 -3.21 135.00 125.79 3gcm n PRO 101 Ca 0.02 0.24 0.13 0.00 -2.02 0.00 0.00 63.50 61.87 3gcm n PRO 101 Cb 0.13 -1.59 0.37 0.00 -0.02 0.00 0.00 33.50 32.39 3gcm n PRO 101 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3gcm n LEU 102 N -1.68 0.45 -4.73 2.45 4.77 -0.96 -4.78 117.00 112.51 3gcm n LEU 102 Ca 0.04 0.31 -0.41 0.00 -0.03 0.00 0.00 56.01 55.91 3gcm n LEU 102 Cb 0.22 -0.32 -0.04 0.00 -2.33 0.00 0.00 43.42 40.95 3gcm n LEU 102 CO 0.18 -0.01 0.76 -0.36 -1.33 0.00 0.00 177.39 176.63 3gcm s PHE 103 N -3.06 3.65 0.63 -1.77 0.40 -1.20 -1.18 117.98 115.45 3gcm s PHE 103 Ca 0.11 1.64 -0.19 0.00 -0.60 0.00 0.00 56.93 57.89 3gcm s PHE 103 Cb 0.16 -3.22 -0.02 0.00 0.51 0.00 0.00 43.02 40.45 3gcm s PHE 103 CO 0.64 -0.42 1.29 -2.14 0.70 0.00 0.00 175.22 175.29 3gcm s PRO 104 N -0.20 2.69 0.11 0.24 0.02 -1.26 -4.91 135.00 131.69 3gcm s PRO 104 Ca 0.49 2.04 -0.31 0.00 0.02 0.00 0.00 61.00 63.24 3gcm s PRO 104 Cb -0.28 -1.90 -0.10 0.00 0.02 0.00 0.00 34.50 32.24 3gcm s PRO 104 CO 0.33 -1.48 1.71 -2.00 -0.33 0.00 0.00 177.00 175.23 3gcm s GLU 105 N -3.32 4.17 0.00 5.54 2.12 -1.26 -1.91 118.70 124.04 3gcm s GLU 105 Ca 0.81 2.45 0.00 0.00 0.36 0.00 0.00 54.97 58.59 3gcm s GLU 105 Cb -0.37 -3.50 0.00 0.00 0.26 0.00 0.00 34.13 30.52 3gcm s GLU 105 CO 0.39 -0.76 0.00 0.41 -0.54 0.00 0.00 175.26 174.76 3gcm n GLY 106 N 4.05 2.63 3.63 -1.50 0.00 -1.26 -4.85 105.19 107.89 3gcm n GLY 106 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 3gcm n GLY 106 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gcm s PHE 107 N -2.62 2.44 -0.04 1.61 5.36 -0.80 -4.87 117.98 119.05 3gcm s PHE 107 Ca 0.00 0.73 0.06 0.00 -0.96 0.00 0.00 56.93 56.76 3gcm s PHE 107 Cb 0.00 -3.92 0.10 0.00 -0.34 0.00 0.00 43.02 38.86 3gcm s PHE 107 CO 0.00 -2.26 0.96 1.33 -1.46 0.00 0.00 175.22 173.79 3gcm n VAL 108 N 6.24 0.85 -2.32 3.12 0.24 -1.26 -4.58 118.33 120.62 3gcm n VAL 108 Ca 0.16 -0.97 -0.38 0.00 -2.04 0.00 0.00 64.34 61.11 3gcm n VAL 108 Cb 0.46 0.35 -0.02 0.00 -1.47 0.00 0.00 33.84 33.15 3gcm n VAL 108 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 3gcm s ASN 109 N -1.44 6.47 0.01 -1.34 -0.87 -1.26 -4.50 114.94 112.02 3gcm s ASN 109 Ca 0.11 2.30 -0.30 0.00 -1.57 0.00 0.00 52.86 53.39 3gcm s ASN 109 Cb 0.09 -2.61 -0.05 0.00 -0.02 0.00 0.00 41.25 38.66 3gcm s ASN 109 CO 0.01 -0.71 1.35 -0.70 -2.57 0.00 0.00 177.10 174.49 3gcm s GLU 110 N -2.41 4.31 -0.07 -0.60 2.12 -1.26 -4.46 118.70 116.32 3gcm s GLU 110 Ca 0.59 1.92 0.03 0.00 0.36 0.00 0.00 54.97 57.86 3gcm s GLU 110 Cb -0.29 -3.52 0.01 0.00 0.26 0.00 0.00 34.13 30.59 3gcm s GLU 110 CO 0.36 -0.52 -0.15 0.08 -0.54 0.00 0.00 175.26 174.50 3gcm s VAL 111 N 2.12 1.37 -0.08 3.70 1.01 -0.62 -1.36 120.40 126.54 3gcm s VAL 111 Ca 0.62 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 62.01 3gcm s VAL 111 Cb -0.31 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 34.86 3gcm s VAL 111 CO 0.26 0.41 -0.14 -1.58 0.00 0.00 0.00 175.10 174.05 3gcm s GLN 112 N 0.57 2.01 -0.19 2.72 0.74 -0.65 -1.56 119.66 123.30 3gcm s GLN 112 Ca -0.15 -0.51 -0.03 0.00 0.05 0.00 0.00 55.36 54.72 3gcm s GLN 112 Cb -0.16 -1.66 -0.01 0.00 1.10 0.00 0.00 33.01 32.28 3gcm s GLN 112 CO 0.05 0.01 -0.08 0.08 -0.55 0.00 0.00 175.29 174.80 3gcm s VAL 113 N 0.77 3.21 -0.20 1.34 1.01 0.47 -1.63 120.40 125.37 3gcm s VAL 113 Ca -0.12 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.30 3gcm s VAL 113 Cb -0.16 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 33.82 3gcm s VAL 113 CO 0.02 0.46 -0.16 -0.63 0.00 0.00 0.00 175.10 174.80 3gcm s ILE 114 N 1.14 2.34 -0.20 2.22 1.01 -0.46 -0.25 121.20 127.00 3gcm s ILE 114 Ca 0.01 -0.94 -0.02 0.00 0.00 0.00 0.00 60.65 59.70 3gcm s ILE 114 Cb -0.14 -2.05 -0.00 0.00 0.01 0.00 0.00 42.46 40.27 3gcm s ILE 114 CO -0.02 0.45 -0.08 0.00 0.00 0.00 0.00 174.94 175.28 3gcm s ALA 115 N 1.31 2.69 -0.18 9.38 0.00 0.23 -1.22 121.76 133.96 3gcm s ALA 115 Ca 0.04 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.86 3gcm s ALA 115 Cb -0.14 -1.54 0.02 0.00 0.00 0.00 0.00 23.12 21.46 3gcm s ALA 115 CO -0.10 -0.33 -0.18 0.99 0.00 0.00 0.00 175.76 176.14 3gcm s THR 116 N 1.30 2.26 -0.30 0.00 2.01 -0.39 -1.14 115.64 119.38 3gcm s THR 116 Ca 0.04 -0.87 -0.29 0.00 0.31 0.00 0.00 61.69 60.87 3gcm s THR 116 Cb -0.14 -1.96 0.01 0.00 0.01 0.00 0.00 72.50 70.41 3gcm s THR 116 CO -0.04 0.52 1.20 -0.69 -0.69 0.00 0.00 174.62 174.92 3gcm s VAL 117 N 1.30 4.31 -0.32 3.82 1.01 -0.45 -0.63 120.40 129.45 3gcm s VAL 117 Ca 0.05 1.50 0.10 0.00 0.00 0.00 0.00 61.98 63.62 3gcm s VAL 117 Cb -0.13 -4.25 -0.12 0.00 0.00 0.00 0.00 36.38 31.88 3gcm s VAL 117 CO -0.11 -0.45 0.35 1.33 0.00 0.00 0.00 175.10 176.21 3gcm n VAL 118 N 5.99 0.00 -3.66 2.92 0.24 -0.67 -2.71 118.33 120.45 3gcm n VAL 118 Ca 0.13 -0.26 -0.14 0.00 -2.04 0.00 0.00 64.34 62.03 3gcm n VAL 118 Cb 0.47 0.78 -0.08 0.00 -1.47 0.00 0.00 33.84 33.54 3gcm n VAL 118 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3gcm s SER 119 N -2.26 -0.61 -0.05 -1.34 0.15 -1.11 -4.16 113.70 104.32 3gcm s SER 119 Ca 0.01 1.11 -0.02 0.00 0.70 0.00 0.00 55.95 57.76 3gcm s SER 119 Cb 0.07 1.12 0.04 0.00 -1.71 0.00 0.00 66.02 65.53 3gcm s SER 119 CO 0.39 -0.27 0.10 0.54 1.20 0.00 0.00 173.24 175.21 3gcm s VAL 120 N 0.08 -0.10 -0.28 4.45 0.11 -0.95 -0.30 120.40 123.41 3gcm s VAL 120 Ca -0.02 0.27 -0.20 0.00 -2.93 0.00 0.00 61.98 59.10 3gcm s VAL 120 Cb -0.04 -0.19 -0.02 0.00 -1.53 0.00 0.00 36.38 34.60 3gcm s VAL 120 CO 0.02 0.11 0.61 0.21 -3.33 0.00 0.00 175.10 172.72 3gcm s ASN 121 N 1.52 6.51 0.00 3.54 3.84 -1.25 -4.77 114.94 124.34 3gcm s ASN 121 Ca -0.05 0.55 0.02 0.00 0.21 0.00 0.00 52.86 53.59 3gcm s ASN 121 Cb -0.12 -2.32 0.09 0.00 -0.55 0.00 0.00 41.25 38.35 3gcm s ASN 121 CO -0.05 -0.40 0.76 -0.81 -2.79 0.00 0.00 177.10 173.81 3gcm n PRO 122 N 5.75 0.03 -0.00 0.43 -0.04 -1.26 -0.27 135.00 139.65 3gcm n PRO 122 Ca -0.01 0.17 0.08 0.00 -0.04 0.00 0.00 63.50 63.70 3gcm n PRO 122 Cb 0.49 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.34 3gcm n PRO 122 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3gcm n GLN 123 N -1.18 1.05 -3.97 0.54 1.13 -1.26 -4.74 117.38 108.95 3gcm n GLN 123 Ca 0.01 -0.04 -0.34 0.00 -1.94 0.00 0.00 57.00 54.69 3gcm n GLN 123 Cb 0.01 -1.35 -0.14 0.00 0.11 0.00 0.00 30.24 28.87 3gcm n GLN 123 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3gcm s VAL 124 N -2.80 2.74 0.03 5.09 1.01 0.63 -3.20 120.40 123.91 3gcm s VAL 124 Ca 0.04 -1.28 -0.30 0.00 0.00 0.00 0.00 61.98 60.43 3gcm s VAL 124 Cb 0.13 -2.49 -0.07 0.00 0.00 0.00 0.00 36.38 33.95 3gcm s VAL 124 CO 0.73 0.05 1.53 0.21 0.00 0.00 0.00 175.10 177.62 3gcm s ASN 125 N 1.25 6.72 0.20 3.32 3.84 -1.26 -4.46 114.94 124.55 3gcm s ASN 125 Ca -0.04 2.30 0.20 0.00 0.21 0.00 0.00 52.86 55.53 3gcm s ASN 125 Cb -0.18 -2.56 0.87 0.00 -0.55 0.00 0.00 41.25 38.83 3gcm s ASN 125 CO -0.04 -0.81 1.60 -0.81 -2.79 0.00 0.00 177.10 174.26 3gcm n PRO 126 N 5.53 0.13 -0.16 0.43 -0.04 -1.26 -3.79 135.00 135.84 3gcm n PRO 126 Ca 0.15 0.43 -0.10 0.00 -0.04 0.00 0.00 63.50 63.94 3gcm n PRO 126 Cb 0.42 -1.79 -0.00 0.00 -0.04 0.00 0.00 33.50 32.09 3gcm n PRO 126 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 3gcm h ASP 127 N 0.00 0.78 -0.55 3.54 2.03 -1.99 0.32 116.42 120.55 3gcm h ASP 127 Ca 0.00 -0.30 -0.09 0.00 -0.73 0.00 0.00 57.03 55.91 3gcm h ASP 127 Cb 0.26 -0.21 -0.02 0.00 -0.83 0.00 0.00 39.33 38.53 3gcm h ASP 127 CO 0.00 0.89 0.00 0.40 -1.03 0.00 0.00 179.24 179.50 3gcm h ILE 128 N 0.65 1.26 -0.59 4.15 1.08 -1.97 -2.37 117.51 119.72 3gcm h ILE 128 Ca 0.13 -1.11 -0.01 0.00 -0.39 0.00 0.00 64.86 63.48 3gcm h ILE 128 Cb 0.48 0.89 -0.03 0.00 -3.07 0.00 0.00 36.82 35.09 3gcm h ILE 128 CO 0.02 0.40 0.34 0.58 -0.69 0.00 0.00 178.15 178.79 3gcm h VAL 129 N 0.85 1.18 -0.16 1.67 2.07 -1.66 -1.94 116.25 118.26 3gcm h VAL 129 Ca 0.16 -0.44 -0.08 0.00 0.82 0.00 0.00 66.70 67.16 3gcm h VAL 129 Cb 0.54 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3gcm h VAL 129 CO 0.03 0.20 -0.25 0.00 0.02 0.00 0.00 177.57 177.57 3gcm h ALA 130 N 1.16 1.30 -0.25 1.67 0.00 -0.86 -1.53 119.26 120.74 3gcm h ALA 130 Ca 0.21 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 3gcm h ALA 130 Cb 0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3gcm h ALA 130 CO -0.04 0.48 -0.52 0.52 0.00 0.00 0.00 179.25 179.69 3gcm h MET 131 N 0.25 0.71 -0.32 0.00 2.07 -1.09 -1.36 114.93 115.20 3gcm h MET 131 Ca 0.04 -0.44 -0.10 0.00 -2.07 0.00 0.00 59.70 57.13 3gcm h MET 131 Cb 0.58 0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 30.34 3gcm h MET 131 CO 0.04 1.06 -0.22 0.82 1.07 0.00 0.00 176.91 179.68 3gcm h ILE 132 N 0.56 1.27 -0.39 -1.22 2.04 -1.19 -2.34 117.51 116.23 3gcm h ILE 132 Ca 0.02 -1.28 -0.03 0.00 1.00 0.00 0.00 64.86 64.57 3gcm h ILE 132 Cb 1.09 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 3gcm h ILE 132 CO 0.11 0.42 0.13 1.23 0.00 0.00 0.00 178.15 180.03 3gcm h GLY 133 N 1.00 0.64 1.35 5.37 0.00 -1.08 -0.83 103.07 109.52 3gcm h GLY 133 Ca 0.08 -0.38 -0.09 0.00 0.00 0.00 0.00 47.33 46.94 3gcm h GLY 133 CO 0.05 0.35 -0.09 0.00 0.00 0.00 0.00 176.54 176.85 3gcm h ALA 134 N 0.97 1.02 -0.25 3.60 0.00 -1.22 -0.99 119.26 122.39 3gcm h ALA 134 Ca 0.13 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3gcm h ALA 134 Cb 0.24 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3gcm h ALA 134 CO -0.01 0.59 0.01 1.03 0.00 0.00 0.00 179.25 180.88 3gcm h SER 135 N 0.70 0.43 -0.49 0.00 0.87 -1.30 -1.92 113.55 111.84 3gcm h SER 135 Ca 0.12 -0.30 -0.11 0.00 -1.23 0.00 0.00 61.79 60.28 3gcm h SER 135 Cb 0.57 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 3gcm h SER 135 CO 0.03 0.63 -0.11 0.00 -0.53 0.00 0.00 176.83 176.85 3gcm h ALA 136 N 0.82 0.67 -0.41 6.23 0.00 -1.05 -1.99 119.26 123.54 3gcm h ALA 136 Ca 0.07 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 3gcm h ALA 136 Cb 0.40 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3gcm h ALA 136 CO 0.01 0.58 -0.22 0.00 0.00 0.00 0.00 179.25 179.62 3gcm h ALA 137 N 0.89 0.58 -0.17 0.00 0.00 -1.20 -1.84 119.26 117.52 3gcm h ALA 137 Ca 0.13 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 3gcm h ALA 137 Cb 0.66 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3gcm h ALA 137 CO 0.05 0.56 -0.35 -0.07 0.00 0.00 0.00 179.25 179.43 3gcm h LEU 138 N 0.69 0.36 -0.47 0.00 3.38 -1.34 -2.00 115.31 115.93 3gcm h LEU 138 Ca 0.09 -0.14 -0.17 0.00 0.09 0.00 0.00 57.88 57.75 3gcm h LEU 138 Cb 0.78 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3gcm h LEU 138 CO 0.06 0.69 -0.76 0.28 0.09 0.00 0.00 178.44 178.81 3gcm h SER 139 N 0.30 0.14 1.51 -0.43 0.02 -1.28 -3.19 113.55 110.62 3gcm h SER 139 Ca 0.03 -0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 60.78 3gcm h SER 139 Cb 0.77 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 3gcm h SER 139 CO 0.06 0.84 -0.48 -0.07 -1.14 0.00 0.00 176.83 176.04 3gcm h LEU 140 N 0.07 0.00 -0.81 5.07 3.38 -1.23 -3.38 115.31 118.41 3gcm h LEU 140 Ca -0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3gcm h LEU 140 Cb 1.33 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.05 3gcm h LEU 140 CO 0.11 0.48 0.11 0.77 0.09 0.00 0.00 178.44 179.99 3gcm h SER 141 N 0.00 0.96 0.00 -0.43 4.64 -1.34 -0.83 113.55 116.54 3gcm h SER 141 Ca -0.00 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3gcm h SER 141 Cb 1.36 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3gcm h SER 141 CO 0.06 0.95 0.00 0.61 -0.87 0.00 0.00 176.83 177.58 3gcm n GLY 142 N -0.67 0.76 3.73 -0.77 0.00 -1.26 -4.65 105.19 102.33 3gcm n GLY 142 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3gcm n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gcm s ILE 143 N -2.40 2.46 -0.40 -0.61 1.01 -1.26 -0.22 121.20 119.77 3gcm s ILE 143 Ca 0.00 0.35 -0.39 0.00 0.00 0.00 0.00 60.65 60.61 3gcm s ILE 143 Cb 0.00 -3.22 -0.14 0.00 0.01 0.00 0.00 42.46 39.10 3gcm s ILE 143 CO 0.00 0.04 2.16 -2.65 0.00 0.00 0.00 174.94 174.49 3gcm n PRO 144 N 3.21 0.67 -3.65 2.79 -0.02 -1.26 -4.88 135.00 131.85 3gcm n PRO 144 Ca 0.11 0.18 -0.02 0.00 -2.02 0.00 0.00 63.50 61.75 3gcm n PRO 144 Cb 0.38 -2.09 -0.05 0.00 -0.02 0.00 0.00 33.50 31.73 3gcm n PRO 144 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3gcm s PHE 145 N 6.73 -1.26 -0.34 6.00 5.36 -1.26 -4.37 117.98 128.84 3gcm s PHE 145 Ca 1.13 2.22 -0.01 0.00 -0.96 0.00 0.00 56.93 59.32 3gcm s PHE 145 Cb -1.11 0.73 0.26 0.00 -0.34 0.00 0.00 43.02 42.57 3gcm s PHE 145 CO 0.56 -0.64 1.93 0.09 -1.46 0.00 0.00 175.22 175.70 3gcm n ASN 146 N 5.42 6.09 -1.97 6.13 3.02 -0.33 -4.87 115.26 128.74 3gcm n ASN 146 Ca -0.12 -3.11 0.00 0.00 -0.03 0.00 0.00 54.58 51.33 3gcm n ASN 146 Cb 0.49 -0.99 0.00 0.00 -0.61 0.00 0.00 39.78 38.67 3gcm n ASN 146 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gcm n GLY 147 N 0.10 1.10 3.88 7.41 0.00 -1.26 -4.96 105.19 111.46 3gcm n GLY 147 Ca 0.34 -1.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.40 3gcm n GLY 147 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3gcm s PRO 148 N 1.32 3.40 0.22 1.61 0.02 -1.26 -4.99 135.00 135.33 3gcm s PRO 148 Ca 0.00 0.62 0.07 0.00 0.02 0.00 0.00 61.00 61.71 3gcm s PRO 148 Cb 0.00 -2.09 -0.04 0.00 0.02 0.00 0.00 34.50 32.39 3gcm s PRO 148 CO 0.00 -0.66 0.15 0.96 -0.33 0.00 0.00 177.00 177.12 3gcm s ILE 149 N -3.19 4.32 0.50 2.83 -4.36 -1.26 -4.35 121.20 115.70 3gcm s ILE 149 Ca 0.55 -1.36 0.05 0.00 -0.26 0.00 0.00 60.65 59.63 3gcm s ILE 149 Cb -0.11 -3.29 0.05 0.00 1.25 0.00 0.00 42.46 40.36 3gcm s ILE 149 CO 0.53 -0.27 0.42 0.61 0.24 0.00 0.00 174.94 176.47 3gcm n GLY 150 N -0.86 2.66 3.35 6.27 0.00 -0.76 -4.68 105.19 111.17 3gcm n GLY 150 Ca -0.08 -2.28 -0.12 0.00 0.00 0.00 0.00 46.02 43.55 3gcm n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gcm s ALA 151 N -2.71 -1.18 -0.12 4.61 0.00 -1.26 -3.57 121.76 117.52 3gcm s ALA 151 Ca 0.32 1.51 -0.08 0.00 0.00 0.00 0.00 51.96 53.71 3gcm s ALA 151 Cb -0.03 -0.90 0.04 0.00 0.00 0.00 0.00 23.12 22.24 3gcm s ALA 151 CO 0.20 -0.25 0.30 0.00 0.00 0.00 0.00 175.76 176.01 3gcm s ALA 152 N 0.85 -0.74 -0.12 0.00 0.00 -0.85 -4.87 121.76 116.04 3gcm s ALA 152 Ca -0.05 1.07 -0.15 0.00 0.00 0.00 0.00 51.96 52.83 3gcm s ALA 152 Cb -0.06 -0.66 -0.05 0.00 0.00 0.00 0.00 23.12 22.36 3gcm s ALA 152 CO -0.07 -0.19 0.36 0.50 0.00 0.00 0.00 175.76 176.36 3gcm s ARG 153 N 0.92 4.19 -0.15 0.00 3.52 -1.26 -1.47 118.95 124.72 3gcm s ARG 153 Ca -0.06 0.25 0.00 0.00 -0.13 0.00 0.00 55.73 55.79 3gcm s ARG 153 Cb -0.07 -3.38 -0.00 0.00 -1.56 0.00 0.00 34.95 29.93 3gcm s ARG 153 CO -0.07 0.31 -0.16 0.08 -0.81 0.00 0.00 175.30 174.66 3gcm s VAL 154 N 0.19 2.69 0.54 7.11 1.01 0.17 0.16 120.40 132.26 3gcm s VAL 154 Ca 0.21 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.49 3gcm s VAL 154 Cb -0.14 -2.12 0.05 0.00 0.00 0.00 0.00 36.38 34.16 3gcm s VAL 154 CO 0.07 0.52 0.54 -0.83 0.00 0.00 0.00 175.10 175.40 3gcm s GLY 155 N 0.68 2.13 -0.36 4.51 0.00 0.21 -1.95 107.32 112.54 3gcm s GLY 155 Ca -0.08 -1.62 0.01 0.00 0.00 0.00 0.00 44.72 43.04 3gcm s GLY 155 CO 0.02 -1.83 0.28 -0.47 0.00 0.00 0.00 173.10 171.10 3gcm s TYR 156 N -2.71 0.29 -0.13 1.90 5.04 -1.26 -1.78 117.35 118.71 3gcm s TYR 156 Ca 0.45 -1.30 0.01 0.00 -2.44 0.00 0.00 57.07 53.79 3gcm s TYR 156 Cb -0.04 -0.70 -0.00 0.00 0.35 0.00 0.00 41.96 41.57 3gcm s TYR 156 CO 0.28 -0.89 -0.18 0.42 -1.34 0.00 0.00 175.55 173.84 3gcm s ILE 157 N 1.20 2.56 -1.57 3.14 1.01 -0.51 -1.86 121.20 125.17 3gcm s ILE 157 Ca 0.18 -0.83 -0.05 0.00 0.00 0.00 0.00 60.65 59.96 3gcm s ILE 157 Cb -0.20 -2.05 0.01 0.00 0.01 0.00 0.00 42.46 40.23 3gcm s ILE 157 CO -0.00 0.53 0.56 0.59 0.00 0.00 0.00 174.94 176.62 3gcm n ASN 158 N 3.73 -6.04 -2.60 3.58 3.02 -1.26 -2.05 115.26 113.64 3gcm n ASN 158 Ca -0.19 -0.27 -0.21 0.00 -0.03 0.00 0.00 54.58 53.88 3gcm n ASN 158 Cb 0.52 -4.89 0.00 0.00 -0.61 0.00 0.00 39.78 34.81 3gcm n ASN 158 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3gcm n ASP 159 N -2.48 -5.99 -4.09 6.41 8.00 -1.26 -5.01 116.55 112.13 3gcm n ASP 159 Ca -0.12 -0.10 -0.20 0.00 0.71 0.00 0.00 54.79 55.07 3gcm n ASP 159 Cb 0.62 -4.94 -0.14 0.00 -0.02 0.00 0.00 41.12 36.64 3gcm n ASP 159 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3gcm s GLN 160 N -5.26 0.95 0.21 -1.24 -1.52 -0.87 -5.14 119.66 106.78 3gcm s GLN 160 Ca 0.10 -0.54 -0.30 0.00 -1.95 0.00 0.00 55.36 52.67 3gcm s GLN 160 Cb -0.04 -0.92 -0.08 0.00 -0.22 0.00 0.00 33.01 31.74 3gcm s GLN 160 CO 0.12 0.24 1.15 0.71 -0.25 0.00 0.00 175.29 177.27 3gcm s TYR 161 N -0.48 3.50 -0.11 0.91 4.12 -1.26 -1.42 117.35 122.61 3gcm s TYR 161 Ca 0.03 1.54 0.02 0.00 0.02 0.00 0.00 57.07 58.68 3gcm s TYR 161 Cb -0.06 -3.36 0.01 0.00 -1.52 0.00 0.00 41.96 37.04 3gcm s TYR 161 CO 0.00 -0.90 -0.18 0.08 0.02 0.00 0.00 175.55 174.57 3gcm s VAL 162 N -0.37 1.68 -0.02 0.71 1.01 -0.73 -4.94 120.40 117.75 3gcm s VAL 162 Ca 0.50 -0.76 -0.28 0.00 0.00 0.00 0.00 61.98 61.44 3gcm s VAL 162 Cb -0.32 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 3gcm s VAL 162 CO 0.37 0.48 0.89 -0.22 0.00 0.00 0.00 175.10 176.62 3gcm s LEU 163 N 0.83 4.36 -1.03 3.92 2.96 -1.26 -0.62 118.68 127.83 3gcm s LEU 163 Ca -0.09 1.51 -0.22 0.00 -0.22 0.00 0.00 54.13 55.12 3gcm s LEU 163 Cb -0.16 -3.42 0.03 0.00 0.50 0.00 0.00 46.19 43.15 3gcm s LEU 163 CO 0.00 -0.21 0.63 0.59 -1.32 0.00 0.00 176.35 176.04 3gcm n ASN 164 N 3.83 -4.18 -4.77 3.68 3.02 0.12 -4.89 115.26 112.07 3gcm n ASN 164 Ca 0.04 -1.15 -0.37 0.00 -0.03 0.00 0.00 54.58 53.06 3gcm n ASN 164 Cb 0.51 -1.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.16 3gcm n ASN 164 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3gcm s PRO 165 N -6.47 3.55 0.95 3.52 0.04 -1.26 -5.01 135.00 130.32 3gcm s PRO 165 Ca 0.30 1.87 -0.12 0.00 0.04 0.00 0.00 61.00 63.09 3gcm s PRO 165 Cb -0.17 -2.32 0.16 0.00 0.04 0.00 0.00 34.50 32.22 3gcm s PRO 165 CO 0.91 -0.75 1.09 0.95 0.04 0.00 0.00 177.00 179.24 3gcm s THR 166 N -1.51 2.38 0.41 1.26 -4.23 -1.26 -4.81 115.64 107.88 3gcm s THR 166 Ca 0.67 0.12 0.07 0.00 -1.18 0.00 0.00 61.69 61.37 3gcm s THR 166 Cb -0.31 -2.57 0.27 0.00 1.34 0.00 0.00 72.50 71.23 3gcm s THR 166 CO 0.37 -0.16 2.05 1.56 -0.54 0.00 0.00 174.62 177.90 3gcm h GLN 167 N -1.77 0.55 -0.12 3.99 1.08 -1.84 -1.68 115.11 115.34 3gcm h GLN 167 Ca -0.52 -0.03 -0.14 0.00 -1.45 0.00 0.00 58.65 56.50 3gcm h GLN 167 Cb 1.30 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.60 3gcm h GLN 167 CO 0.55 0.37 -0.54 -0.44 -0.95 0.00 0.00 178.83 177.81 3gcm h ASP 168 N 0.57 0.38 0.75 1.46 3.32 -1.92 -3.20 116.42 117.78 3gcm h ASP 168 Ca 0.16 -0.20 -0.14 0.00 0.02 0.00 0.00 57.03 56.87 3gcm h ASP 168 Cb -0.04 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 3gcm h ASP 168 CO -0.04 0.85 -0.66 -0.33 -1.72 0.00 0.00 179.24 177.35 3gcm h GLU 169 N 0.27 0.00 0.00 3.56 5.08 -1.69 -3.16 114.58 118.64 3gcm h GLU 169 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3gcm h GLU 169 Cb 1.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 3gcm h GLU 169 CO 0.09 0.66 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.68 3gcm h LEU 170 N 0.00 0.00 -2.27 1.33 3.38 -1.34 -2.34 115.31 114.07 3gcm h LEU 170 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3gcm h LEU 170 Cb 1.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 3gcm h LEU 170 CO 0.09 0.01 -0.05 0.11 0.09 0.00 0.00 178.44 178.69 3gcm h LYS 171 N 0.00 0.00 -0.02 1.13 1.57 -1.63 -2.43 116.57 115.19 3gcm h LYS 171 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gcm h LYS 171 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3gcm h LYS 171 CO 0.00 0.05 -0.19 0.39 -0.57 0.00 0.00 179.45 179.13 3gcm n GLU 172 N -3.49 1.57 -3.15 3.15 -0.58 -0.88 -5.00 120.64 112.26 3gcm n GLU 172 Ca -0.02 -1.20 -0.38 0.00 -0.42 0.00 0.00 57.16 55.13 3gcm n GLU 172 Cb 0.17 -1.33 -0.06 0.00 -0.57 0.00 0.00 31.44 29.64 3gcm n GLU 172 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3gcm s SER 173 N -1.78 7.17 0.00 1.62 0.15 -0.92 -4.68 113.70 115.26 3gcm s SER 173 Ca 0.18 1.42 0.20 0.00 0.70 0.00 0.00 55.95 58.44 3gcm s SER 173 Cb 0.15 -2.42 0.62 0.00 -1.71 0.00 0.00 66.02 62.66 3gcm s SER 173 CO 0.34 0.21 1.47 0.29 1.20 0.00 0.00 173.24 176.75 3gcm n LYS 174 N 1.49 1.91 -3.72 5.44 4.01 -0.78 -4.91 118.16 121.60 3gcm n LYS 174 Ca -0.07 -1.37 -0.13 0.00 -0.51 0.00 0.00 58.31 56.22 3gcm n LYS 174 Cb 0.50 -1.40 -0.10 0.00 -0.51 0.00 0.00 35.03 33.52 3gcm n LYS 174 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 3gcm s LEU 175 N -1.44 0.32 -0.31 -0.35 2.96 -1.26 -1.29 118.68 117.30 3gcm s LEU 175 Ca 0.32 0.87 -0.01 0.00 -0.22 0.00 0.00 54.13 55.09 3gcm s LEU 175 Cb 0.18 1.52 0.10 0.00 0.50 0.00 0.00 46.19 48.49 3gcm s LEU 175 CO 0.26 -0.17 0.10 -0.62 -1.32 0.00 0.00 176.35 174.60 3gcm s ASP 176 N 0.18 4.01 -0.03 3.68 -1.08 -0.29 -4.03 116.67 119.11 3gcm s ASP 176 Ca -0.00 -1.64 0.05 0.00 -0.52 0.00 0.00 52.55 50.44 3gcm s ASP 176 Cb -0.03 -0.85 -0.01 0.00 -1.46 0.00 0.00 42.92 40.57 3gcm s ASP 176 CO 0.01 -0.42 -0.18 -0.22 0.52 0.00 0.00 175.17 174.88 3gcm s LEU 177 N 1.62 1.98 -0.10 -1.34 0.20 -0.82 -1.41 118.68 118.81 3gcm s LEU 177 Ca 0.10 -0.35 0.03 0.00 0.69 0.00 0.00 54.13 54.60 3gcm s LEU 177 Cb -0.17 -0.98 0.01 0.00 -0.43 0.00 0.00 46.19 44.61 3gcm s LEU 177 CO -0.25 0.20 -0.21 -0.69 -0.29 0.00 0.00 176.35 175.10 3gcm s VAL 178 N -0.22 1.86 -0.04 1.68 1.01 0.11 0.42 120.40 125.22 3gcm s VAL 178 Ca 0.02 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.15 3gcm s VAL 178 Cb -0.09 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.66 3gcm s VAL 178 CO 0.01 0.51 -0.14 0.54 0.00 0.00 0.00 175.10 176.02 3gcm s VAL 179 N 0.55 1.20 0.01 2.92 0.11 -0.54 -1.11 120.40 123.53 3gcm s VAL 179 Ca -0.15 -0.58 0.04 0.00 -2.93 0.00 0.00 61.98 58.37 3gcm s VAL 179 Cb -0.17 -1.05 -0.01 0.00 -1.53 0.00 0.00 36.38 33.62 3gcm s VAL 179 CO 0.05 0.35 -0.14 0.00 -3.33 0.00 0.00 175.10 172.03 3gcm s ALA 180 N 0.17 1.17 0.04 1.54 0.00 -0.40 -2.01 121.76 122.26 3gcm s ALA 180 Ca -0.05 -0.67 -0.28 0.00 0.00 0.00 0.00 51.96 50.95 3gcm s ALA 180 Cb -0.11 -0.26 0.10 0.00 0.00 0.00 0.00 23.12 22.85 3gcm s ALA 180 CO 0.02 0.27 1.18 0.20 0.00 0.00 0.00 175.76 177.42 3gcm s GLY 181 N -0.58 -0.35 0.18 0.00 0.00 -1.23 -0.89 107.32 104.45 3gcm s GLY 181 Ca 0.04 0.49 -0.03 0.00 0.00 0.00 0.00 44.72 45.22 3gcm s GLY 181 CO 0.00 0.13 0.23 -1.30 0.00 0.00 0.00 173.10 172.16 3gcm n THR 182 N -0.49 0.00 0.04 0.90 -2.24 -0.12 -1.84 114.28 110.53 3gcm n THR 182 Ca -0.08 -0.17 0.02 0.00 -2.27 0.00 0.00 64.05 61.56 3gcm n THR 182 Cb 0.62 -1.82 0.38 0.00 -2.10 0.00 0.00 70.33 67.41 3gcm n THR 182 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3gcm h GLU 183 N 0.00 0.44 0.06 -0.78 4.81 -1.95 -3.32 114.58 113.85 3gcm h GLU 183 Ca -0.08 -0.06 -0.37 0.00 -0.13 0.00 0.00 59.36 58.72 3gcm h GLU 183 Cb 0.21 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 3gcm h GLU 183 CO 0.05 0.41 -2.19 0.00 -0.73 0.00 0.00 179.01 176.56 3gcm n ALA 184 N -2.48 1.19 -2.78 2.92 0.00 -1.26 -5.04 120.51 113.06 3gcm n ALA 184 Ca 0.01 -0.85 -0.10 0.00 0.00 0.00 0.00 53.44 52.50 3gcm n ALA 184 Cb 0.17 -0.44 -0.09 0.00 0.00 0.00 0.00 19.45 19.09 3gcm n ALA 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gcm s ALA 185 N -2.54 -0.10 0.26 0.00 0.00 -1.25 -4.81 121.76 113.31 3gcm s ALA 185 Ca -0.25 -0.49 -0.30 0.00 0.00 0.00 0.00 51.96 50.92 3gcm s ALA 185 Cb 0.08 0.23 -0.09 0.00 0.00 0.00 0.00 23.12 23.34 3gcm s ALA 185 CO 0.71 -0.30 1.05 0.08 0.00 0.00 0.00 175.76 177.30 3gcm s VAL 186 N -2.43 3.70 -0.03 0.00 1.01 -1.26 -0.94 120.40 120.44 3gcm s VAL 186 Ca -0.06 1.69 0.01 0.00 0.00 0.00 0.00 61.98 63.61 3gcm s VAL 186 Cb -0.02 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 3gcm s VAL 186 CO -0.04 0.39 -0.01 0.18 0.00 0.00 0.00 175.10 175.62 3gcm n LEU 187 N 1.40 1.47 -3.77 3.92 4.77 -0.06 -4.74 117.00 119.99 3gcm n LEU 187 Ca -0.01 -0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 55.83 3gcm n LEU 187 Cb 0.46 -0.02 -0.13 0.00 -2.33 0.00 0.00 43.42 41.39 3gcm n LEU 187 CO 0.53 0.31 -0.20 -0.32 -1.33 0.00 0.00 177.39 176.38 3gcm s MET 188 N -2.06 0.14 -0.05 3.23 0.00 -0.80 -1.45 119.30 118.30 3gcm s MET 188 Ca -0.03 0.33 0.01 0.00 0.00 0.00 0.00 55.69 56.01 3gcm s MET 188 Cb 0.01 -0.07 0.02 0.00 0.00 0.00 0.00 34.83 34.79 3gcm s MET 188 CO 0.09 -0.11 -0.07 0.08 0.00 0.00 0.00 175.02 175.01 3gcm s VAL 189 N 0.76 0.76 -0.08 10.11 1.01 -0.93 -1.28 120.40 130.76 3gcm s VAL 189 Ca -0.06 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.68 3gcm s VAL 189 Cb -0.07 -0.74 0.02 0.00 0.00 0.00 0.00 36.38 35.58 3gcm s VAL 189 CO -0.04 0.27 -0.09 -0.70 0.00 0.00 0.00 175.10 174.55 3gcm s GLU 190 N 0.83 1.42 0.05 2.72 2.56 -0.27 -1.06 118.70 124.96 3gcm s GLU 190 Ca -0.12 -0.28 -0.20 0.00 0.00 0.00 0.00 54.97 54.37 3gcm s GLU 190 Cb -0.15 -1.32 0.04 0.00 2.00 0.00 0.00 34.13 34.70 3gcm s GLU 190 CO 0.01 -0.10 0.46 -1.54 -0.56 0.00 0.00 175.26 173.54 3gcm s SER 191 N 1.08 -0.35 0.01 -1.70 1.04 -0.92 0.09 113.70 112.95 3gcm s SER 191 Ca -0.07 0.07 0.03 0.00 0.48 0.00 0.00 55.95 56.46 3gcm s SER 191 Cb -0.14 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.42 3gcm s SER 191 CO -0.01 -0.69 -0.09 -1.83 0.98 0.00 0.00 173.24 171.60 3gcm s GLU 192 N -2.49 0.69 0.04 4.02 -1.05 -0.50 -3.29 118.70 116.12 3gcm s GLU 192 Ca -0.05 -0.49 -0.03 0.00 -0.15 0.00 0.00 54.97 54.25 3gcm s GLU 192 Cb -0.01 -0.63 -0.02 0.00 -0.44 0.00 0.00 34.13 33.02 3gcm s GLU 192 CO -0.02 0.16 0.03 0.00 0.95 0.00 0.00 175.26 176.38 3gcm s ALA 193 N -0.58 0.21 -1.30 -0.84 0.00 0.96 -1.14 121.76 119.08 3gcm s ALA 193 Ca 0.00 -0.86 -0.06 0.00 0.00 0.00 0.00 51.96 51.04 3gcm s ALA 193 Cb -0.06 0.26 0.14 0.00 0.00 0.00 0.00 23.12 23.47 3gcm s ALA 193 CO 0.00 -0.33 2.21 0.39 0.00 0.00 0.00 175.76 178.03 3gcm n GLU 194 N 0.54 4.37 -3.40 0.00 1.02 -0.41 -4.32 120.64 118.44 3gcm n GLU 194 Ca -0.17 -3.55 -0.19 0.00 -0.02 0.00 0.00 57.16 53.22 3gcm n GLU 194 Cb 0.59 -2.70 0.06 0.00 -0.02 0.00 0.00 31.44 29.38 3gcm n GLU 194 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3gcm n LEU 195 N 2.20 -4.69 -4.91 -4.62 4.77 -1.06 -4.97 117.00 103.72 3gcm n LEU 195 Ca 0.55 -0.77 -0.27 0.00 -0.03 0.00 0.00 56.01 55.48 3gcm n LEU 195 Cb 0.28 -2.99 -0.01 0.00 -2.33 0.00 0.00 43.42 38.37 3gcm n LEU 195 CO 0.72 0.23 0.40 -0.76 -1.33 0.00 0.00 177.39 176.65 3gcm s LEU 196 N -5.82 3.71 0.90 2.23 1.43 -1.10 -4.34 118.68 115.68 3gcm s LEU 196 Ca 0.38 0.89 -0.12 0.00 -1.03 0.00 0.00 54.13 54.25 3gcm s LEU 196 Cb -0.07 -3.82 0.13 0.00 0.03 0.00 0.00 46.19 42.46 3gcm s LEU 196 CO 0.77 -0.51 1.13 -0.94 0.23 0.00 0.00 176.35 177.03 3gcm s SER 197 N -3.95 3.63 0.26 2.29 1.04 -1.26 -0.93 113.70 114.78 3gcm s SER 197 Ca 0.47 1.02 -0.05 0.00 0.48 0.00 0.00 55.95 57.87 3gcm s SER 197 Cb -0.10 -1.62 0.31 0.00 0.10 0.00 0.00 66.02 64.71 3gcm s SER 197 CO 0.42 -2.48 1.90 -0.33 0.98 0.00 0.00 173.24 173.72 3gcm h GLU 198 N -1.45 1.17 -0.28 4.02 3.07 -1.97 -1.42 114.58 117.72 3gcm h GLU 198 Ca -0.50 -0.12 -0.15 0.00 -0.50 0.00 0.00 59.36 58.09 3gcm h GLU 198 Cb 1.32 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.99 3gcm h GLU 198 CO 0.61 0.83 -0.44 -0.44 -1.40 0.00 0.00 179.01 178.18 3gcm h ASP 199 N 1.18 0.76 -0.19 1.42 3.32 -1.99 -2.07 116.42 118.86 3gcm h ASP 199 Ca 0.30 -0.36 -0.13 0.00 0.02 0.00 0.00 57.03 56.86 3gcm h ASP 199 Cb -0.02 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 3gcm h ASP 199 CO -0.05 1.10 -0.32 1.56 -1.72 0.00 0.00 179.24 179.80 3gcm h GLN 200 N 0.57 0.70 -0.17 3.56 4.20 -1.86 -1.13 115.11 120.97 3gcm h GLN 200 Ca 0.04 -0.32 -0.20 0.00 0.06 0.00 0.00 58.65 58.23 3gcm h GLN 200 Cb 0.99 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.76 3gcm h GLN 200 CO 0.09 0.92 -0.70 0.52 -0.67 0.00 0.00 178.83 179.00 3gcm h MET 201 N 0.59 0.72 -0.35 1.46 2.86 -1.26 -2.96 114.93 115.99 3gcm h MET 201 Ca 0.07 -0.54 -0.17 0.00 -2.06 0.00 0.00 59.70 56.99 3gcm h MET 201 Cb 0.83 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.59 3gcm h MET 201 CO 0.07 1.16 -0.44 1.25 1.06 0.00 0.00 176.91 180.02 3gcm h LEU 202 N 0.51 0.98 -1.65 1.22 5.85 -1.33 -2.84 115.31 118.04 3gcm h LEU 202 Ca -0.03 -0.47 -0.01 0.00 0.84 0.00 0.00 57.88 58.21 3gcm h LEU 202 Cb 1.30 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 3gcm h LEU 202 CO 0.14 1.27 0.08 1.23 -0.34 0.00 0.00 178.44 180.82 3gcm h GLY 203 N 0.77 0.32 1.24 3.75 0.00 -1.26 -1.42 103.07 106.48 3gcm h GLY 203 Ca 0.05 -0.14 -0.17 0.00 0.00 0.00 0.00 47.33 47.07 3gcm h GLY 203 CO 0.10 0.14 -0.47 0.00 0.00 0.00 0.00 176.54 176.31 3gcm h ALA 204 N 1.79 0.59 -0.40 3.60 0.00 -1.41 -0.44 119.26 122.98 3gcm h ALA 204 Ca 0.08 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 3gcm h ALA 204 Cb 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3gcm h ALA 204 CO -0.01 0.68 -0.03 0.28 0.00 0.00 0.00 179.25 180.17 3gcm h VAL 205 N 0.65 1.27 -0.29 0.00 2.07 -1.20 -1.88 116.25 116.86 3gcm h VAL 205 Ca 0.03 -1.07 -0.06 0.00 0.82 0.00 0.00 66.70 66.42 3gcm h VAL 205 Cb 1.05 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 3gcm h VAL 205 CO 0.10 0.36 -0.06 0.58 0.02 0.00 0.00 177.57 178.58 3gcm h VAL 206 N 0.56 1.28 0.14 2.57 2.07 -1.27 -2.42 116.25 119.17 3gcm h VAL 206 Ca 0.11 -1.08 0.01 0.00 0.82 0.00 0.00 66.70 66.56 3gcm h VAL 206 Cb 0.53 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 3gcm h VAL 206 CO 0.03 0.34 -0.19 0.15 0.02 0.00 0.00 177.57 177.92 3gcm h PHE 207 N 0.32 -0.51 -0.15 1.57 3.57 -1.06 -1.83 116.94 118.86 3gcm h PHE 207 Ca 0.07 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 3gcm h PHE 207 Cb 0.54 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 3gcm h PHE 207 CO 0.05 -0.28 -0.06 0.78 -2.23 0.00 0.00 178.31 176.57 3gcm h GLY 208 N -0.39 0.24 1.52 2.40 0.00 -1.38 -1.41 103.07 104.05 3gcm h GLY 208 Ca 0.02 -0.13 -0.16 0.00 0.00 0.00 0.00 47.33 47.06 3gcm h GLY 208 CO -0.08 0.12 -0.55 0.84 0.00 0.00 0.00 176.54 176.86 3gcm h HIS 209 N 0.22 0.63 -0.13 5.60 -0.00 -1.21 -2.85 115.15 117.41 3gcm h HIS 209 Ca 0.05 -0.22 -0.21 0.00 -0.00 0.00 0.00 60.37 59.98 3gcm h HIS 209 Cb 0.25 -0.12 0.01 0.00 -0.00 0.00 0.00 27.41 27.55 3gcm h HIS 209 CO 0.00 0.94 -0.77 0.93 -0.00 0.00 0.00 177.93 179.03 3gcm h GLU 210 N 0.38 0.69 -0.08 5.26 5.08 -0.86 -3.31 114.58 121.74 3gcm h GLU 210 Ca 0.01 -0.56 -0.11 0.00 -1.00 0.00 0.00 59.36 57.69 3gcm h GLU 210 Cb 1.09 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 3gcm h GLU 210 CO 0.10 1.18 -0.47 1.96 -1.00 0.00 0.00 179.01 180.78 3gcm h GLN 211 N 0.47 0.20 -0.00 2.33 1.08 -1.28 -3.09 115.11 114.81 3gcm h GLN 211 Ca -0.05 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.05 3gcm h GLN 211 Cb 1.38 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.82 3gcm h GLN 211 CO 0.15 0.63 0.00 0.00 -0.95 0.00 0.00 178.83 178.66 3gcm n GLN 212 N -3.98 1.12 0.19 1.46 10.64 -1.08 -3.78 117.38 121.95 3gcm n GLN 212 Ca -0.02 -0.17 0.03 0.00 -1.83 0.00 0.00 57.00 55.01 3gcm n GLN 212 Cb 0.51 -1.49 0.41 0.00 -0.86 0.00 0.00 30.24 28.82 3gcm n GLN 212 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 3gcm h GLN 213 N 0.42 0.04 -0.09 2.61 1.08 -1.66 -2.21 115.11 115.29 3gcm h GLN 213 Ca 0.00 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.13 3gcm h GLN 213 Cb 0.09 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 3gcm h GLN 213 CO 0.00 0.31 -0.22 -0.24 -0.95 0.00 0.00 178.83 177.73 3gcm h VAL 214 N 0.03 1.20 -0.19 -0.54 3.04 -1.82 -0.80 116.25 117.18 3gcm h VAL 214 Ca 0.00 -0.93 -0.06 0.00 -1.01 0.00 0.00 66.70 64.70 3gcm h VAL 214 Cb 0.51 1.37 -0.00 0.00 -2.01 0.00 0.00 31.29 31.16 3gcm h VAL 214 CO 0.04 0.28 -0.12 0.58 -1.01 0.00 0.00 177.57 177.34 3gcm h VAL 215 N 0.15 1.32 -0.62 1.51 2.07 -1.67 -2.52 116.25 116.49 3gcm h VAL 215 Ca 0.03 -1.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 3gcm h VAL 215 Cb 0.47 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 3gcm h VAL 215 CO 0.03 0.36 0.33 0.40 0.02 0.00 0.00 177.57 178.71 3gcm h ILE 216 N 0.09 1.20 -0.64 4.57 2.04 -1.23 -1.86 117.51 121.69 3gcm h ILE 216 Ca 0.04 -0.53 -0.07 0.00 1.00 0.00 0.00 64.86 65.30 3gcm h ILE 216 Cb 0.62 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 3gcm h ILE 216 CO 0.03 0.22 0.13 1.56 0.00 0.00 0.00 178.15 180.10 3gcm h GLN 217 N 0.84 1.02 -0.04 2.37 4.20 -1.19 -1.63 115.11 120.70 3gcm h GLN 217 Ca 0.22 -0.25 -0.16 0.00 0.06 0.00 0.00 58.65 58.52 3gcm h GLN 217 Cb 0.06 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 3gcm h GLN 217 CO -0.03 0.93 -0.70 -0.91 -0.67 0.00 0.00 178.83 177.44 3gcm h ASN 218 N 0.97 0.23 -0.38 1.46 2.35 -1.28 -2.00 115.58 116.93 3gcm h ASN 218 Ca 0.20 -0.15 -0.09 0.00 -0.55 0.00 0.00 56.30 55.71 3gcm h ASN 218 Cb 0.38 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 3gcm h ASN 218 CO 0.01 0.85 -0.11 0.40 -1.65 0.00 0.00 177.43 176.93 3gcm h ILE 219 N 0.13 1.28 -0.98 2.81 2.04 -1.23 -2.02 117.51 119.53 3gcm h ILE 219 Ca -0.02 -1.20 0.07 0.00 1.00 0.00 0.00 64.86 64.71 3gcm h ILE 219 Cb 1.25 1.27 -0.07 0.00 -0.74 0.00 0.00 36.82 38.53 3gcm h ILE 219 CO 0.11 0.40 0.64 0.78 0.00 0.00 0.00 178.15 180.07 3gcm h ASN 220 N 0.54 1.01 0.56 1.72 2.35 -1.17 0.11 115.58 120.69 3gcm h ASN 220 Ca 0.09 0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.69 3gcm h ASN 220 Cb 0.64 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 3gcm h ASN 220 CO 0.04 0.64 -0.72 -0.33 -1.65 0.00 0.00 177.43 175.41 3gcm h GLU 221 N 1.14 0.14 -0.13 0.81 4.39 -1.30 -2.42 114.58 117.20 3gcm h GLU 221 Ca 0.42 -0.12 -0.17 0.00 0.34 0.00 0.00 59.36 59.84 3gcm h GLU 221 Cb 0.19 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 3gcm h GLU 221 CO -0.17 0.80 -0.64 1.25 -1.16 0.00 0.00 179.01 179.10 3gcm h LEU 222 N 0.09 0.53 -0.61 1.33 5.85 -0.83 -3.16 115.31 118.51 3gcm h LEU 222 Ca -0.02 -0.31 -0.13 0.00 0.84 0.00 0.00 57.88 58.26 3gcm h LEU 222 Cb 1.28 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 3gcm h LEU 222 CO 0.10 1.03 -0.26 0.58 -0.34 0.00 0.00 178.44 179.56 3gcm h VAL 223 N 0.34 1.27 0.00 1.05 2.07 -0.73 -0.53 116.25 119.73 3gcm h VAL 223 Ca -0.01 -1.40 -0.02 0.00 0.82 0.00 0.00 66.70 66.09 3gcm h VAL 223 Cb 1.19 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 32.20 3gcm h VAL 223 CO 0.11 0.47 -0.10 0.11 0.02 0.00 0.00 177.57 178.18 3gcm h LYS 224 N 0.71 0.00 0.02 1.57 1.57 -1.47 -0.35 116.57 118.62 3gcm h LYS 224 Ca 0.09 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.59 3gcm h LYS 224 Cb 0.80 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.07 3gcm h LYS 224 CO 0.07 0.10 -1.51 0.39 -0.57 0.00 0.00 179.45 177.93 3gcm n GLU 225 N -3.42 0.61 0.00 3.15 1.02 -1.06 -4.76 120.64 116.17 3gcm n GLU 225 Ca -0.01 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 3gcm n GLU 225 Cb 0.27 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 3gcm n GLU 225 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gcm n ALA 226 N -3.40 2.12 -1.78 0.62 0.00 -0.23 -5.06 120.51 112.78 3gcm n ALA 226 Ca -0.34 -0.34 -0.41 0.00 0.00 0.00 0.00 53.44 52.35 3gcm n ALA 226 Cb 0.77 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.21 3gcm n ALA 226 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3gcm s GLY 227 N -0.22 2.87 0.49 0.00 0.00 -0.14 -5.00 107.32 105.30 3gcm s GLY 227 Ca 0.00 1.44 -0.19 0.00 0.00 0.00 0.00 44.72 45.97 3gcm s GLY 227 CO 0.00 2.15 1.00 0.54 0.00 0.00 0.00 173.10 176.79 3gcm s LYS 228 N -1.75 3.92 0.32 2.90 1.02 -0.32 -4.98 119.74 120.84 3gcm s LYS 228 Ca 0.52 1.17 -0.29 0.00 0.02 0.00 0.00 55.97 57.39 3gcm s LYS 228 Cb -0.44 -2.12 -0.11 0.00 -0.52 0.00 0.00 37.83 34.64 3gcm s LYS 228 CO 0.57 -0.31 1.56 -1.25 -0.92 0.00 0.00 175.35 175.00 3gcm s PRO 229 N -3.50 4.12 0.19 -1.68 0.04 -1.26 -4.22 135.00 128.69 3gcm s PRO 229 Ca 0.63 2.58 -0.32 0.00 0.04 0.00 0.00 61.00 63.93 3gcm s PRO 229 Cb -0.12 -3.01 -0.11 0.00 0.04 0.00 0.00 34.50 31.30 3gcm s PRO 229 CO 0.22 -0.60 1.67 1.03 0.04 0.00 0.00 177.00 179.36 3gcm s ARG 230 N -0.99 4.15 0.29 4.56 1.81 -1.26 -4.61 118.95 122.90 3gcm s ARG 230 Ca 0.60 2.52 -0.28 0.00 -1.72 0.00 0.00 55.73 56.85 3gcm s ARG 230 Cb -0.47 -3.10 -0.14 0.00 -0.45 0.00 0.00 34.95 30.78 3gcm s ARG 230 CO 0.53 -0.70 1.04 0.91 -0.68 0.00 0.00 175.30 176.39 3gcm n TRP 231 N 4.00 1.37 -2.65 -0.53 7.02 0.69 -4.88 117.44 122.46 3gcm n TRP 231 Ca 0.15 0.69 -0.43 0.00 -1.02 0.00 0.00 57.50 56.90 3gcm n TRP 231 Cb 0.36 -2.27 -0.01 0.00 -2.42 0.00 0.00 31.31 26.97 3gcm n TRP 231 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 3gcm s ASP 232 N -0.52 6.74 -0.07 -0.99 2.15 -1.26 -4.89 116.67 117.84 3gcm s ASP 232 Ca 0.59 -2.17 0.05 0.00 0.43 0.00 0.00 52.55 51.45 3gcm s ASP 232 Cb -0.69 -2.54 -0.01 0.00 -0.30 0.00 0.00 42.92 39.38 3gcm s ASP 232 CO 0.60 -1.21 -0.24 0.86 -0.17 0.00 0.00 175.17 175.01 3gcm s TRP 233 N 3.98 2.36 0.00 -5.34 -0.00 -1.26 -5.13 118.94 113.55 3gcm s TRP 233 Ca 0.48 -0.78 0.07 0.00 -0.00 0.00 0.00 56.10 55.87 3gcm s TRP 233 Cb 0.01 -1.56 -0.02 0.00 -0.00 0.00 0.00 33.47 31.90 3gcm s TRP 233 CO -0.00 -0.27 -0.21 -0.65 -0.00 0.00 0.00 176.95 175.82 3gcm s GLN 234 N 0.01 1.63 0.65 5.86 -1.52 -1.26 -5.12 119.66 119.91 3gcm s GLN 234 Ca -0.08 -0.82 -0.17 0.00 -1.95 0.00 0.00 55.36 52.33 3gcm s GLN 234 Cb -0.15 -1.63 -0.01 0.00 -0.22 0.00 0.00 33.01 31.00 3gcm s GLN 234 CO 0.05 0.44 1.22 -1.25 -0.25 0.00 0.00 175.29 175.50 3gcm s PRO 235 N -0.72 2.64 0.16 2.91 0.04 -1.26 -4.94 135.00 133.83 3gcm s PRO 235 Ca 0.08 1.83 -0.32 0.00 0.04 0.00 0.00 61.00 62.63 3gcm s PRO 235 Cb -0.08 -1.89 -0.12 0.00 0.04 0.00 0.00 34.50 32.45 3gcm s PRO 235 CO 0.00 -1.47 1.75 0.39 0.04 0.00 0.00 177.00 177.72 3gcm n GLU 236 N -2.03 2.67 -1.77 4.56 -0.58 -1.26 -4.89 120.64 117.34 3gcm n GLU 236 Ca 0.14 0.97 -0.40 0.00 -0.42 0.00 0.00 57.16 57.44 3gcm n GLU 236 Cb 0.50 -2.82 0.01 0.00 -0.57 0.00 0.00 31.44 28.56 3gcm n GLU 236 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 3gcm n PRO 237 N 4.65 2.46 -1.83 3.49 -0.04 -1.26 -4.88 135.00 137.59 3gcm n PRO 237 Ca 0.17 0.87 -0.42 0.00 -0.04 0.00 0.00 63.50 64.08 3gcm n PRO 237 Cb 0.35 -2.65 -0.03 0.00 -0.04 0.00 0.00 33.50 31.12 3gcm n PRO 237 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3gcm s VAL 238 N -1.16 3.28 -0.84 0.52 1.01 -1.26 -4.95 120.40 117.01 3gcm s VAL 238 Ca 0.57 0.34 -0.15 0.00 0.00 0.00 0.00 61.98 62.75 3gcm s VAL 238 Cb -0.46 -3.22 0.20 0.00 0.00 0.00 0.00 36.38 32.90 3gcm s VAL 238 CO 0.61 -0.03 0.82 0.21 0.00 0.00 0.00 175.10 176.71 3gcm s ASN 239 N 3.97 6.73 0.37 3.32 3.84 -1.26 -4.93 114.94 126.99 3gcm s ASN 239 Ca 0.82 -2.57 0.06 0.00 0.21 0.00 0.00 52.86 51.37 3gcm s ASN 239 Cb -0.38 -2.24 0.73 0.00 -0.55 0.00 0.00 41.25 38.80 3gcm s ASN 239 CO 0.36 -0.66 1.96 -0.33 -2.79 0.00 0.00 177.10 175.64 3gcm h GLU 240 N 7.97 0.50 -0.26 0.43 5.08 -2.00 -2.17 114.58 124.14 3gcm h GLU 240 Ca 0.11 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.27 3gcm h GLU 240 Cb 1.04 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 3gcm h GLU 240 CO 0.81 0.45 -0.33 0.00 -1.00 0.00 0.00 179.01 178.95 3gcm h ALA 241 N 1.62 0.39 -0.14 3.43 0.00 -2.00 -2.53 119.26 120.02 3gcm h ALA 241 Ca 0.12 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 3gcm h ALA 241 Cb 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3gcm h ALA 241 CO -0.01 0.44 -0.42 1.25 0.00 0.00 0.00 179.25 180.51 3gcm h LEU 242 N 0.40 0.35 -0.39 0.00 5.85 -1.95 -2.48 115.31 117.10 3gcm h LEU 242 Ca 0.03 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.61 3gcm h LEU 242 Cb 0.91 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 3gcm h LEU 242 CO 0.08 0.74 0.23 0.78 -0.34 0.00 0.00 178.44 179.93 3gcm h ASN 243 N 0.28 0.38 -0.50 1.25 2.35 -1.38 -2.41 115.58 115.55 3gcm h ASN 243 Ca 0.02 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 3gcm h ASN 243 Cb 0.86 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 39.13 3gcm h ASN 243 CO 0.07 0.27 0.18 0.00 -1.65 0.00 0.00 177.43 176.30 3gcm h ALA 244 N 1.17 1.29 -0.26 -0.83 0.00 -1.19 0.35 119.26 119.78 3gcm h ALA 244 Ca 0.15 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 3gcm h ALA 244 Cb -0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3gcm h ALA 244 CO -0.07 0.51 -0.42 0.00 0.00 0.00 0.00 179.25 179.28 3gcm h ARG 245 N 0.79 0.63 -0.12 0.00 3.08 -1.33 -1.24 114.38 116.19 3gcm h ARG 245 Ca 0.18 -0.33 -0.20 0.00 0.07 0.00 0.00 59.98 59.70 3gcm h ARG 245 Cb 0.22 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.29 3gcm h ARG 245 CO -0.01 0.93 -0.69 0.28 -1.07 0.00 0.00 179.97 179.41 3gcm h VAL 246 N 0.52 1.31 -0.03 2.04 2.07 -1.12 -3.19 116.25 117.85 3gcm h VAL 246 Ca 0.04 -1.94 -0.07 0.00 0.82 0.00 0.00 66.70 65.55 3gcm h VAL 246 Cb 0.94 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.81 3gcm h VAL 246 CO 0.09 0.60 -0.31 0.00 0.02 0.00 0.00 177.57 177.97 3gcm h ALA 247 N 0.50 1.44 0.00 1.67 0.00 -0.91 -1.84 119.26 120.13 3gcm h ALA 247 Ca -0.05 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 3gcm h ALA 247 Cb 1.33 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3gcm h ALA 247 CO 0.14 0.41 -0.37 0.00 0.00 0.00 0.00 179.25 179.43 3gcm h ALA 248 N 1.65 1.16 0.00 0.00 0.00 -1.24 -2.87 119.26 117.95 3gcm h ALA 248 Ca 0.00 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 3gcm h ALA 248 Cb 0.57 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3gcm h ALA 248 CO 0.04 0.46 -2.02 1.28 0.00 0.00 0.00 179.25 179.01 3gcm n LEU 249 N -3.76 0.03 0.00 0.00 4.77 -1.05 -4.81 117.00 112.18 3gcm n LEU 249 Ca -0.01 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3gcm n LEU 249 Cb 0.45 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3gcm n LEU 249 CO 0.37 0.07 -0.38 0.00 -1.33 0.00 0.00 177.39 176.12 3gcm n ALA 250 N -2.33 1.84 -0.11 -1.18 0.00 -0.72 -4.78 120.51 113.23 3gcm n ALA 250 Ca -0.08 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.30 3gcm n ALA 250 Cb 0.66 0.26 0.02 0.00 0.00 0.00 0.00 19.45 20.39 3gcm n ALA 250 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3gcm h GLU 251 N 0.00 0.29 -0.39 0.00 4.81 -1.68 0.22 114.58 117.82 3gcm h GLU 251 Ca 0.00 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 3gcm h GLU 251 Cb 0.76 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 3gcm h GLU 251 CO 0.00 0.19 0.03 0.00 -0.73 0.00 0.00 179.01 178.50 3gcm h ALA 252 N 1.24 1.31 -0.04 2.92 0.00 -1.90 -0.74 119.26 122.05 3gcm h ALA 252 Ca 0.17 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 3gcm h ALA 252 Cb 0.14 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.78 3gcm h ALA 252 CO -0.17 0.47 -0.61 0.00 0.00 0.00 0.00 179.25 178.94 3gcm h ARG 253 N 0.59 0.49 0.00 0.00 3.08 -1.69 -3.12 114.38 113.72 3gcm h ARG 253 Ca 0.13 -0.47 -0.06 0.00 0.07 0.00 0.00 59.98 59.65 3gcm h ARG 253 Cb 0.33 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 3gcm h ARG 253 CO 0.01 1.11 -0.27 -0.07 -1.07 0.00 0.00 179.97 179.68 3gcm h LEU 254 N 0.04 0.00 -0.71 3.04 3.38 -0.48 -1.06 115.31 119.52 3gcm h LEU 254 Ca -0.07 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 3gcm h LEU 254 Cb 1.29 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.02 3gcm h LEU 254 CO 0.12 0.27 0.17 0.28 0.09 0.00 0.00 178.44 179.37 3gcm h SER 255 N 0.00 1.09 0.75 -0.43 0.02 -1.16 -2.03 113.55 111.78 3gcm h SER 255 Ca -0.00 -0.24 -0.18 0.00 -0.84 0.00 0.00 61.79 60.53 3gcm h SER 255 Cb 0.52 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 3gcm h SER 255 CO 0.04 1.04 -0.83 0.44 -1.14 0.00 0.00 176.83 176.38 3gcm h ASP 256 N 1.08 0.07 -0.22 3.07 3.32 -1.40 -3.24 116.42 119.10 3gcm h ASP 256 Ca 0.22 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.14 3gcm h ASP 256 Cb 0.39 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 3gcm h ASP 256 CO 0.00 0.87 -0.12 0.00 -1.72 0.00 0.00 179.24 178.27 3gcm h ALA 257 N 1.13 1.14 -0.26 3.45 0.00 -1.03 -2.81 119.26 120.87 3gcm h ALA 257 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3gcm h ALA 257 Cb 1.46 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3gcm h ALA 257 CO 0.11 0.54 0.00 0.66 0.00 0.00 0.00 179.25 180.57 3gcm n TYR 258 N -4.18 0.81 0.46 0.00 4.01 -0.78 -2.55 117.16 114.92 3gcm n TYR 258 Ca 0.01 -0.29 0.05 0.00 -0.16 0.00 0.00 57.90 57.50 3gcm n TYR 258 Cb 0.34 -0.23 -0.03 0.00 -0.31 0.00 0.00 39.34 39.12 3gcm n TYR 258 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3gcm n ARG 259 N 0.30 2.95 -2.39 -0.72 1.74 -1.06 -4.53 116.66 112.96 3gcm n ARG 259 Ca 0.12 -0.30 -0.43 0.00 -0.77 0.00 0.00 57.85 56.47 3gcm n ARG 259 Cb 0.59 -1.02 -0.02 0.00 -1.02 0.00 0.00 32.46 30.98 3gcm n ARG 259 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3gcm s ILE 260 N -1.65 4.22 0.01 0.55 1.01 -1.06 -4.89 121.20 119.39 3gcm s ILE 260 Ca 0.06 1.47 -0.17 0.00 0.00 0.00 0.00 60.65 62.02 3gcm s ILE 260 Cb 0.08 -3.95 -0.35 0.00 0.01 0.00 0.00 42.46 38.25 3gcm s ILE 260 CO 0.33 -0.12 0.96 0.71 0.00 0.00 0.00 174.94 176.81 3gcm h THR 261 N 5.47 1.30 -2.72 2.92 1.35 -1.89 -3.45 112.91 115.90 3gcm h THR 261 Ca -0.28 -2.66 -0.53 0.00 -0.55 0.00 0.00 66.41 62.39 3gcm h THR 261 Cb 1.11 3.06 0.02 0.00 -1.73 0.00 0.00 68.15 70.62 3gcm h THR 261 CO 0.96 0.79 0.97 -0.62 -0.25 0.00 0.00 175.52 177.38 3gcm s ASP 262 N -7.46 6.61 0.10 5.36 2.15 -1.26 -4.73 116.67 117.43 3gcm s ASP 262 Ca -0.10 2.50 -0.22 0.00 0.43 0.00 0.00 52.55 55.16 3gcm s ASP 262 Cb 0.04 -2.57 -0.12 0.00 -0.30 0.00 0.00 42.92 39.97 3gcm s ASP 262 CO 0.92 -0.87 1.75 0.50 -0.17 0.00 0.00 175.17 177.30 3gcm h LYS 263 N 8.05 0.10 -0.52 4.34 3.64 -2.00 -2.12 116.57 128.07 3gcm h LYS 263 Ca -0.43 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 58.93 3gcm h LYS 263 Cb 1.20 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 3gcm h LYS 263 CO 0.93 0.08 0.27 1.96 -2.27 0.00 0.00 179.45 180.41 3gcm h GLN 264 N 0.10 0.73 -0.80 1.90 4.20 -1.98 -2.28 115.11 116.97 3gcm h GLN 264 Ca 0.03 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 3gcm h GLN 264 Cb -0.00 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.60 3gcm h GLN 264 CO -0.01 0.58 0.45 1.49 -0.67 0.00 0.00 178.83 180.68 3gcm h GLU 265 N 0.69 1.11 0.23 1.46 4.81 -1.95 -2.66 114.58 118.26 3gcm h GLU 265 Ca 0.18 -0.12 -0.33 0.00 -0.13 0.00 0.00 59.36 58.96 3gcm h GLU 265 Cb 0.07 -0.22 0.03 0.00 0.63 0.00 0.00 28.75 29.26 3gcm h GLU 265 CO -0.03 0.80 -1.52 -0.09 -0.73 0.00 0.00 179.01 177.45 3gcm h ARG 266 N 1.12 0.48 0.65 1.92 2.43 -0.83 -1.66 114.38 118.49 3gcm h ARG 266 Ca 0.29 -0.83 -0.03 0.00 -0.81 0.00 0.00 59.98 58.60 3gcm h ARG 266 Cb 0.01 0.31 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 3gcm h ARG 266 CO -0.05 1.39 -0.38 1.88 -1.51 0.00 0.00 179.97 181.30 3gcm h TYR 267 N 0.13 -1.01 -1.69 2.20 0.05 -1.57 -1.02 116.97 114.06 3gcm h TYR 267 Ca -0.26 -0.01 0.50 0.00 0.05 0.00 0.00 58.73 59.01 3gcm h TYR 267 Cb 2.14 0.36 -0.08 0.00 1.01 0.00 0.00 36.73 40.15 3gcm h TYR 267 CO 0.12 -0.58 1.19 0.00 -1.05 0.00 0.00 178.16 177.85 3gcm h ALA 268 N -1.38 3.49 0.20 3.88 0.00 -1.33 1.73 119.26 125.85 3gcm h ALA 268 Ca -0.09 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.45 3gcm h ALA 268 Cb 0.76 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.71 3gcm h ALA 268 CO 0.10 -2.03 -1.70 0.37 0.00 0.00 0.00 179.25 175.99 3gcm h GLN 269 N 0.02 0.42 -0.88 0.00 5.75 -1.28 -3.10 115.11 116.04 3gcm h GLN 269 Ca 0.84 -0.71 0.03 0.00 -0.15 0.00 0.00 58.65 58.66 3gcm h GLN 269 Cb 3.24 0.27 -0.05 0.00 1.07 0.00 0.00 27.48 32.00 3gcm h GLN 269 CO -0.10 1.34 0.58 0.28 -2.65 0.00 0.00 178.83 178.28 3gcm h VAL 270 N 0.10 1.16 -0.32 2.39 2.07 0.37 -1.49 116.25 120.53 3gcm h VAL 270 Ca -0.33 -0.38 -0.15 0.00 0.82 0.00 0.00 66.70 66.67 3gcm h VAL 270 Cb 2.10 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 3gcm h VAL 270 CO 0.19 0.20 -0.39 -0.78 0.02 0.00 0.00 177.57 176.82 3gcm h ASP 271 N 1.11 0.80 -0.47 0.57 3.58 -0.27 -2.15 116.42 119.58 3gcm h ASP 271 Ca 0.34 -0.36 -0.03 0.00 0.42 0.00 0.00 57.03 57.41 3gcm h ASP 271 Cb 0.00 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.81 3gcm h ASP 271 CO -0.10 1.09 0.18 0.58 -2.88 0.00 0.00 179.24 178.11 3gcm h VAL 272 N 0.62 1.21 -0.21 2.25 2.07 -1.37 -1.27 116.25 119.56 3gcm h VAL 272 Ca 0.05 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 3gcm h VAL 272 Cb 0.93 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 3gcm h VAL 272 CO 0.09 0.25 0.11 0.40 0.02 0.00 0.00 177.57 178.44 3gcm h ILE 273 N 0.62 1.11 -0.56 4.57 2.04 -1.23 -1.27 117.51 122.79 3gcm h ILE 273 Ca 0.16 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.67 3gcm h ILE 273 Cb 0.22 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 3gcm h ILE 273 CO -0.01 0.11 0.13 0.11 0.00 0.00 0.00 178.15 178.49 3gcm h LYS 274 N 0.23 0.89 0.01 2.37 1.57 -1.33 -0.96 116.57 119.35 3gcm h LYS 274 Ca 0.07 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3gcm h LYS 274 Cb 0.07 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3gcm h LYS 274 CO -0.01 0.84 -0.00 0.77 -0.57 0.00 0.00 179.45 180.47 3gcm h SER 275 N 0.79 -0.01 -0.40 0.86 0.02 -1.17 -2.04 113.55 111.61 3gcm h SER 275 Ca 0.17 -0.18 -0.08 0.00 -0.84 0.00 0.00 61.79 60.86 3gcm h SER 275 Cb 0.35 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 3gcm h SER 275 CO 0.00 0.18 -0.04 -0.33 -1.14 0.00 0.00 176.83 175.50 3gcm h GLU 276 N -0.19 0.82 -0.16 3.45 5.08 -1.20 -1.20 114.58 121.18 3gcm h GLU 276 Ca -0.00 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.09 3gcm h GLU 276 Cb 0.19 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3gcm h GLU 276 CO 0.00 0.85 -0.02 1.15 -1.00 0.00 0.00 179.01 179.99 3gcm h THR 277 N 0.76 1.28 -0.11 1.13 2.02 -1.17 -2.14 112.91 114.66 3gcm h THR 277 Ca 0.14 -0.94 -0.01 0.00 0.77 0.00 0.00 66.41 66.37 3gcm h THR 277 Cb 0.51 1.57 -0.00 0.00 -1.74 0.00 0.00 68.15 68.49 3gcm h THR 277 CO 0.03 0.28 0.03 0.40 0.37 0.00 0.00 175.52 176.63 3gcm h ILE 278 N 0.02 1.19 0.00 3.11 2.04 -1.31 -2.07 117.51 120.49 3gcm h ILE 278 Ca 0.04 -0.59 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 3gcm h ILE 278 Cb 0.43 1.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.88 3gcm h ILE 278 CO 0.01 0.17 -0.04 0.00 0.00 0.00 0.00 178.15 178.29 3gcm h ALA 279 N 0.83 1.86 -0.03 1.87 0.00 -1.27 -0.33 119.26 122.19 3gcm h ALA 279 Ca 0.04 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 3gcm h ALA 279 Cb 0.24 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.04 3gcm h ALA 279 CO -0.00 0.05 -0.77 1.15 0.00 0.00 0.00 179.25 179.69 3gcm h THR 280 N 0.00 1.35 0.00 0.00 2.02 -1.24 -2.73 112.91 112.30 3gcm h THR 280 Ca -0.00 -2.09 -0.11 0.00 0.77 0.00 0.00 66.41 64.98 3gcm h THR 280 Cb 0.08 2.39 -0.02 0.00 -1.74 0.00 0.00 68.15 68.86 3gcm h THR 280 CO 0.01 0.63 -0.51 -0.07 0.37 0.00 0.00 175.52 175.95 3gcm h LEU 281 N 0.18 0.00 -0.58 2.58 3.38 -0.82 -2.65 115.31 117.41 3gcm h LEU 281 Ca -0.09 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 3gcm h LEU 281 Cb 1.44 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.18 3gcm h LEU 281 CO 0.15 0.51 -0.53 -0.07 0.09 0.00 0.00 178.44 178.59 3gcm h LEU 282 N 0.00 0.00 -1.29 1.67 3.38 -1.15 -1.35 115.31 116.57 3gcm h LEU 282 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3gcm h LEU 282 Cb 0.91 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 3gcm h LEU 282 CO 0.07 0.53 -0.12 0.00 0.09 0.00 0.00 178.44 179.01 3gcm h ALA 283 N 1.47 1.02 0.00 1.53 0.00 -1.15 -3.05 119.26 119.09 3gcm h ALA 283 Ca -0.01 -0.11 -0.30 0.00 0.00 0.00 0.00 54.91 54.50 3gcm h ALA 283 Cb 1.15 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 3gcm h ALA 283 CO 0.07 0.14 -1.81 0.39 0.00 0.00 0.00 179.25 178.04 3gcm n GLU 284 N -3.26 0.64 -3.17 0.00 1.02 -1.08 -4.90 120.64 109.90 3gcm n GLU 284 Ca 0.00 0.25 0.03 0.00 -0.02 0.00 0.00 57.16 57.42 3gcm n GLU 284 Cb 0.37 -1.75 -0.01 0.00 -0.02 0.00 0.00 31.44 30.02 3gcm n GLU 284 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3gcm s ASP 285 N -6.01 -1.35 0.00 1.62 -1.08 -0.53 -5.04 116.67 104.29 3gcm s ASP 285 Ca -0.06 0.50 0.25 0.00 -0.52 0.00 0.00 52.55 52.73 3gcm s ASP 285 Cb 0.08 2.02 1.17 0.00 -1.46 0.00 0.00 42.92 44.73 3gcm s ASP 285 CO 0.83 -0.28 1.83 -0.62 0.52 0.00 0.00 175.17 177.44 3gcm n GLU 286 N 5.42 0.17 0.00 4.34 1.02 -1.18 -3.30 120.64 127.10 3gcm n GLU 286 Ca 0.02 0.06 0.12 0.00 -0.02 0.00 0.00 57.16 57.33 3gcm n GLU 286 Cb 0.52 -1.50 0.22 0.00 -0.02 0.00 0.00 31.44 30.66 3gcm n GLU 286 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3gcm n THR 287 N -1.40 0.00 -1.91 2.62 -2.24 -1.26 -4.95 114.28 105.14 3gcm n THR 287 Ca 0.09 -0.02 -0.40 0.00 -2.27 0.00 0.00 64.05 61.44 3gcm n THR 287 Cb 0.25 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 3gcm n THR 287 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3gcm s LEU 288 N -2.92 4.23 -0.25 3.22 1.43 -1.21 -4.94 118.68 118.24 3gcm s LEU 288 Ca 0.13 2.85 -0.29 0.00 -1.03 0.00 0.00 54.13 55.79 3gcm s LEU 288 Cb 0.18 -3.82 -0.01 0.00 0.03 0.00 0.00 46.19 42.57 3gcm s LEU 288 CO 0.69 -0.93 1.33 -0.62 0.23 0.00 0.00 176.35 177.05 3gcm s ASP 289 N -0.47 6.71 0.27 2.29 2.15 -1.26 -4.92 116.67 121.44 3gcm s ASP 289 Ca 0.56 1.39 0.01 0.00 0.43 0.00 0.00 52.55 54.94 3gcm s ASP 289 Cb -0.42 -2.54 0.38 0.00 -0.30 0.00 0.00 42.92 40.04 3gcm s ASP 289 CO 0.56 -1.01 1.73 -0.08 -0.17 0.00 0.00 175.17 176.19 3gcm h GLU 290 N 9.17 0.60 -0.72 4.34 4.81 -1.98 -2.40 114.58 128.41 3gcm h GLU 290 Ca -0.27 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 58.70 3gcm h GLU 290 Cb 1.11 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 3gcm h GLU 290 CO 1.01 0.74 0.24 -0.91 -0.73 0.00 0.00 179.01 179.36 3gcm h ASN 291 N 0.54 1.01 -0.07 1.04 2.35 -1.98 -2.72 115.58 115.76 3gcm h ASN 291 Ca 0.09 -0.18 -0.12 0.00 -0.55 0.00 0.00 56.30 55.55 3gcm h ASN 291 Cb 0.59 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 3gcm h ASN 291 CO 0.04 0.93 -0.33 -0.08 -1.65 0.00 0.00 177.43 176.34 3gcm h GLU 292 N 1.05 0.55 -0.57 0.81 4.81 -1.88 -2.37 114.58 116.98 3gcm h GLU 292 Ca 0.23 -0.25 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 3gcm h GLU 292 Cb 0.27 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 3gcm h GLU 292 CO -0.01 0.82 0.04 -0.07 -0.73 0.00 0.00 179.01 179.06 3gcm h LEU 293 N 0.47 0.92 -1.15 1.64 3.38 -1.35 -2.08 115.31 117.13 3gcm h LEU 293 Ca 0.05 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 3gcm h LEU 293 Cb 0.81 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3gcm h LEU 293 CO 0.07 0.95 -0.08 1.23 0.09 0.00 0.00 178.44 180.70 3gcm h GLY 294 N 1.01 0.53 1.78 0.83 0.00 -1.25 -1.30 103.07 104.67 3gcm h GLY 294 Ca 0.17 -0.35 -0.17 0.00 0.00 0.00 0.00 47.33 46.99 3gcm h GLY 294 CO 0.02 0.32 -0.74 0.83 0.00 0.00 0.00 176.54 176.97 3gcm h GLU 295 N 0.47 0.21 -0.11 4.80 5.08 -1.17 -1.47 114.58 122.40 3gcm h GLU 295 Ca 0.09 -0.19 -0.15 0.00 -1.00 0.00 0.00 59.36 58.12 3gcm h GLU 295 Cb 0.43 0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.72 3gcm h GLU 295 CO 0.02 0.86 -0.52 0.82 -1.00 0.00 0.00 179.01 179.19 3gcm h ILE 296 N 0.14 1.36 -0.89 3.13 2.04 -1.21 -1.93 117.51 120.14 3gcm h ILE 296 Ca -0.02 -1.83 0.00 0.00 1.00 0.00 0.00 64.86 64.01 3gcm h ILE 296 Cb 1.30 2.16 -0.04 0.00 -0.74 0.00 0.00 36.82 39.50 3gcm h ILE 296 CO 0.11 0.55 0.56 -0.07 0.00 0.00 0.00 178.15 179.31 3gcm h LEU 297 N 0.16 1.05 -0.96 1.44 3.38 -1.26 -2.00 115.31 117.13 3gcm h LEU 297 Ca -0.03 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 3gcm h LEU 297 Cb 1.16 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 3gcm h LEU 297 CO 0.11 0.79 -0.38 -0.74 0.09 0.00 0.00 178.44 178.31 3gcm h HIS 298 N 1.22 0.32 -0.01 1.13 2.76 -1.28 -2.30 115.15 116.99 3gcm h HIS 298 Ca 0.32 -0.08 -0.07 0.00 -2.20 0.00 0.00 60.37 58.34 3gcm h HIS 298 Cb -0.09 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 28.79 3gcm h HIS 298 CO -0.00 0.62 -0.35 0.00 -1.30 0.00 0.00 177.93 176.90 3gcm h ALA 299 N 1.37 1.41 -0.02 5.26 0.00 -0.87 -2.27 119.26 124.13 3gcm h ALA 299 Ca 0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3gcm h ALA 299 Cb 0.78 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3gcm h ALA 299 CO 0.06 0.44 -0.06 0.82 0.00 0.00 0.00 179.25 180.52 3gcm h ILE 300 N 0.02 1.49 -0.43 0.00 2.04 -1.02 -2.47 117.51 117.14 3gcm h ILE 300 Ca -0.00 -1.53 0.09 0.00 1.00 0.00 0.00 64.86 64.42 3gcm h ILE 300 Cb 0.62 2.47 -0.09 0.00 -0.74 0.00 0.00 36.82 39.08 3gcm h ILE 300 CO 0.05 0.41 -0.24 -0.33 0.00 0.00 0.00 178.15 178.03 3gcm h GLU 301 N -0.54 -0.15 -0.47 2.37 5.08 -1.37 0.26 114.58 119.76 3gcm h GLU 301 Ca -0.00 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 3gcm h GLU 301 Cb 0.69 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 3gcm h GLU 301 CO 0.01 -0.10 0.25 -0.22 -1.00 0.00 0.00 179.01 177.95 3gcm h LYS 302 N -0.16 0.48 -0.37 2.33 3.64 -1.47 -2.03 116.57 118.99 3gcm h LYS 302 Ca 0.20 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.45 3gcm h LYS 302 Cb 0.47 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 3gcm h LYS 302 CO -0.52 0.32 -0.19 -0.97 -2.27 0.00 0.00 179.45 175.81 3gcm h ASN 303 N 0.49 0.71 -0.19 4.20 -1.24 -0.93 -1.54 115.58 117.09 3gcm h ASN 303 Ca 0.20 -0.24 -0.01 0.00 0.71 0.00 0.00 56.30 56.96 3gcm h ASN 303 Cb 0.09 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 38.94 3gcm h ASN 303 CO -0.13 0.90 0.07 0.58 -1.29 0.00 0.00 177.43 177.56 3gcm h VAL 304 N 0.63 1.17 -0.08 2.57 2.07 -0.56 -2.48 116.25 119.56 3gcm h VAL 304 Ca 0.09 -0.51 -0.07 0.00 0.82 0.00 0.00 66.70 67.04 3gcm h VAL 304 Cb 0.67 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 3gcm h VAL 304 CO 0.05 0.16 -0.20 0.58 0.02 0.00 0.00 177.57 178.18 3gcm h VAL 305 N 0.15 1.41 -0.46 2.57 2.07 -1.36 -3.11 116.25 117.52 3gcm h VAL 305 Ca 0.06 -1.53 -0.02 0.00 0.82 0.00 0.00 66.70 66.04 3gcm h VAL 305 Cb 0.19 2.19 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 3gcm h VAL 305 CO -0.00 0.44 0.22 0.03 0.02 0.00 0.00 177.57 178.28 3gcm h ARG 306 N -0.19 0.66 0.00 1.57 3.08 -1.34 -2.52 114.38 115.65 3gcm h ARG 306 Ca -0.00 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 59.88 3gcm h ARG 306 Cb 0.81 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 3gcm h ARG 306 CO 0.04 0.56 -0.36 0.66 -1.07 0.00 0.00 179.97 179.81 3gcm h SER 307 N 0.60 0.00 0.49 7.04 4.64 -1.56 -2.13 113.55 122.63 3gcm h SER 307 Ca 0.16 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.33 3gcm h SER 307 Cb 0.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 3gcm h SER 307 CO -0.02 0.36 -0.66 0.03 -0.87 0.00 0.00 176.83 175.66 3gcm h ARG 308 N 0.00 0.15 -0.25 4.77 3.08 -1.45 -1.44 114.38 119.24 3gcm h ARG 308 Ca -0.00 -0.12 -0.06 0.00 0.07 0.00 0.00 59.98 59.86 3gcm h ARG 308 Cb 0.89 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 3gcm h ARG 308 CO 0.05 0.76 -0.09 0.28 -1.07 0.00 0.00 179.97 179.89 3gcm h VAL 309 N 0.11 1.29 0.00 2.04 2.07 -1.10 -1.97 116.25 118.69 3gcm h VAL 309 Ca -0.01 -1.14 -0.10 0.00 0.82 0.00 0.00 66.70 66.27 3gcm h VAL 309 Cb 1.18 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 3gcm h VAL 309 CO 0.10 0.36 -0.46 -0.07 0.02 0.00 0.00 177.57 177.52 3gcm h LEU 310 N 0.24 0.00 0.00 2.57 3.38 -1.37 -2.75 115.31 117.37 3gcm h LEU 310 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3gcm h LEU 310 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3gcm h LEU 310 CO 0.03 0.46 0.00 0.00 0.09 0.00 0.00 178.44 179.02 3gcm n ALA 311 N -2.36 2.21 -0.82 1.53 0.00 -0.55 -4.91 120.51 115.61 3gcm n ALA 311 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3gcm n ALA 311 Cb 0.53 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3gcm n ALA 311 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gcm n GLY 312 N 1.20 0.57 3.81 0.00 0.00 -1.04 -5.05 105.19 104.68 3gcm n GLY 312 Ca 0.07 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 3gcm n GLY 312 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gcm s GLU 313 N -0.41 2.97 0.46 1.61 2.02 -0.75 -5.00 118.70 119.61 3gcm s GLU 313 Ca 0.00 1.04 -0.24 0.00 0.02 0.00 0.00 54.97 55.79 3gcm s GLU 313 Cb 0.00 -1.99 -0.08 0.00 0.10 0.00 0.00 34.13 32.15 3gcm s GLU 313 CO 0.00 -1.08 1.30 -2.30 0.02 0.00 0.00 175.26 173.20 3gcm n PRO 314 N -2.89 1.89 -0.91 0.39 -0.02 -1.26 -4.65 135.00 127.56 3gcm n PRO 314 Ca 0.08 0.68 -0.30 0.00 -2.02 0.00 0.00 63.50 61.94 3gcm n PRO 314 Cb 0.53 -2.45 0.24 0.00 -0.02 0.00 0.00 33.50 31.80 3gcm n PRO 314 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3gcm s ARG 315 N -2.40 -1.25 0.26 -0.52 0.52 -0.32 -4.77 118.95 110.47 3gcm s ARG 315 Ca 0.64 0.16 -0.02 0.00 -0.52 0.00 0.00 55.73 55.98 3gcm s ARG 315 Cb -0.48 -1.57 0.54 0.00 0.52 0.00 0.00 34.95 33.96 3gcm s ARG 315 CO 0.56 -3.78 1.68 0.82 0.02 0.00 0.00 175.30 174.60 3gcm h ILE 316 N -2.63 0.48 -0.29 1.52 2.04 -1.89 0.16 117.51 116.90 3gcm h ILE 316 Ca -0.48 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.28 3gcm h ILE 316 Cb 1.31 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 3gcm h ILE 316 CO 0.39 0.05 0.00 -0.90 0.00 0.00 0.00 178.15 177.70 3gcm n ASP 317 N -5.14 1.80 0.00 1.72 5.75 -1.26 -4.06 116.55 115.35 3gcm n ASP 317 Ca 0.17 -1.89 0.00 0.00 -0.01 0.00 0.00 54.79 53.05 3gcm n ASP 317 Cb 0.52 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 3gcm n ASP 317 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gcm n GLY 318 N 1.08 1.03 3.74 6.12 0.00 0.57 -4.93 105.19 112.80 3gcm n GLY 318 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3gcm n GLY 318 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gcm s ARG 319 N -0.58 1.73 0.58 1.61 0.52 -1.26 -4.51 118.95 117.03 3gcm s ARG 319 Ca 0.00 1.00 0.01 0.00 -0.52 0.00 0.00 55.73 56.22 3gcm s ARG 319 Cb 0.00 -1.85 0.05 0.00 0.52 0.00 0.00 34.95 33.67 3gcm s ARG 319 CO 0.00 -1.96 0.81 -1.21 0.02 0.00 0.00 175.30 172.95 3gcm s GLU 320 N -4.91 2.41 0.55 3.54 0.41 -1.26 -1.18 118.70 118.26 3gcm s GLU 320 Ca 0.62 -0.86 0.24 0.00 -0.41 0.00 0.00 54.97 54.56 3gcm s GLU 320 Cb -0.18 -2.47 1.46 0.00 -1.78 0.00 0.00 34.13 31.17 3gcm s GLU 320 CO 0.57 -0.82 2.08 1.57 -0.49 0.00 0.00 175.26 178.16 3gcm h LYS 321 N -0.01 0.00 0.00 1.61 2.10 -1.93 -2.74 116.57 115.61 3gcm h LYS 321 Ca -0.41 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.24 3gcm h LYS 321 Cb 1.29 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.62 3gcm h LYS 321 CO 0.50 0.00 -0.20 -0.40 -2.00 0.00 0.00 179.45 177.35 3gcm n ASP 322 N -4.21 2.05 -4.84 7.07 5.75 -1.26 -0.84 116.55 120.28 3gcm n ASP 322 Ca 0.03 -3.34 -0.38 0.00 -0.01 0.00 0.00 54.79 51.10 3gcm n ASP 322 Cb 0.36 -0.46 -0.06 0.00 -1.03 0.00 0.00 41.12 39.93 3gcm n ASP 322 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 3gcm s MET 323 N -2.89 3.94 0.03 0.11 -1.94 -1.04 -4.91 119.30 112.59 3gcm s MET 323 Ca 0.33 0.44 -0.03 0.00 -1.71 0.00 0.00 55.69 54.72 3gcm s MET 323 Cb 0.31 -3.20 -0.04 0.00 2.01 0.00 0.00 34.83 33.90 3gcm s MET 323 CO -0.01 0.68 0.23 0.42 -0.01 0.00 0.00 175.02 176.33 3gcm s ILE 324 N -1.11 5.36 1.03 2.53 -1.09 -1.26 -4.60 121.20 122.06 3gcm s ILE 324 Ca 0.25 -0.10 -0.12 0.00 -2.23 0.00 0.00 60.65 58.45 3gcm s ILE 324 Cb -0.17 -3.57 0.21 0.00 -1.58 0.00 0.00 42.46 37.34 3gcm s ILE 324 CO 0.14 0.27 1.08 -0.13 -1.23 0.00 0.00 174.94 175.07 3gcm s ARG 325 N -2.08 0.18 0.37 2.79 0.52 -1.26 -4.98 118.95 114.49 3gcm s ARG 325 Ca 0.30 0.61 -0.28 0.00 -0.52 0.00 0.00 55.73 55.84 3gcm s ARG 325 Cb -0.13 -1.70 -0.10 0.00 0.52 0.00 0.00 34.95 33.54 3gcm s ARG 325 CO 0.20 -2.92 1.43 0.20 0.02 0.00 0.00 175.30 174.23 3gcm s GLY 326 N -3.25 2.96 -0.04 -3.53 0.00 -1.26 -4.73 107.32 97.46 3gcm s GLY 326 Ca 0.66 1.47 0.04 0.00 0.00 0.00 0.00 44.72 46.89 3gcm s GLY 326 CO 0.59 2.14 -0.14 1.08 0.00 0.00 0.00 173.10 176.77 3gcm s LEU 327 N -2.09 2.75 -0.07 0.66 1.43 -1.26 -1.37 118.68 118.72 3gcm s LEU 327 Ca 0.53 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 53.41 3gcm s LEU 327 Cb -0.44 -1.56 0.03 0.00 0.03 0.00 0.00 46.19 44.24 3gcm s LEU 327 CO 0.59 0.34 -0.01 -0.62 0.23 0.00 0.00 176.35 176.88 3gcm s ASP 328 N -0.80 1.44 -0.12 2.29 -1.08 0.33 -5.00 116.67 113.72 3gcm s ASP 328 Ca 0.12 -0.10 0.03 0.00 -0.52 0.00 0.00 52.55 52.08 3gcm s ASP 328 Cb -0.11 -0.45 0.01 0.00 -1.46 0.00 0.00 42.92 40.91 3gcm s ASP 328 CO 0.01 -0.16 -0.23 -0.69 0.52 0.00 0.00 175.17 174.62 3gcm s VAL 329 N 1.73 2.08 0.05 1.11 1.01 -1.26 -0.86 120.40 124.26 3gcm s VAL 329 Ca 0.01 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.04 3gcm s VAL 329 Cb -0.13 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 3gcm s VAL 329 CO -0.04 0.55 -0.10 -0.13 0.00 0.00 0.00 175.10 175.38 3gcm s ARG 330 N 0.61 0.66 -0.00 2.72 0.52 -0.55 -4.99 118.95 117.91 3gcm s ARG 330 Ca -0.12 -0.77 0.02 0.00 -0.52 0.00 0.00 55.73 54.34 3gcm s ARG 330 Cb -0.17 -0.56 -0.00 0.00 0.52 0.00 0.00 34.95 34.74 3gcm s ARG 330 CO 0.03 0.12 -0.05 0.99 0.02 0.00 0.00 175.30 176.41 3gcm s THR 331 N -1.16 0.43 -0.71 0.02 2.01 -1.26 -1.89 115.64 113.07 3gcm s THR 331 Ca -0.05 -0.25 -0.01 0.00 0.31 0.00 0.00 61.69 61.69 3gcm s THR 331 Cb -0.09 -0.37 -0.01 0.00 0.01 0.00 0.00 72.50 72.04 3gcm s THR 331 CO 0.01 0.11 0.60 0.61 -0.69 0.00 0.00 174.62 175.26 3gcm n GLY 332 N 2.91 -0.13 0.08 4.40 0.00 -0.42 -4.97 105.19 107.07 3gcm n GLY 332 Ca -0.13 -0.03 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 3gcm n GLY 332 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gcm h VAL 333 N -1.04 1.00 -3.58 1.61 2.07 -1.90 -3.46 116.25 110.97 3gcm h VAL 333 Ca -0.37 -2.72 -0.67 0.00 0.82 0.00 0.00 66.70 63.77 3gcm h VAL 333 Cb 1.20 2.46 -0.22 0.00 -1.52 0.00 0.00 31.29 33.21 3gcm h VAL 333 CO 0.30 0.57 -0.72 -0.76 0.02 0.00 0.00 177.57 176.98 3gcm s LEU 334 N -6.22 3.01 0.15 2.57 1.43 -1.26 -5.05 118.68 113.30 3gcm s LEU 334 Ca -0.02 -0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 52.91 3gcm s LEU 334 Cb 0.09 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.62 3gcm s LEU 334 CO 0.82 0.27 1.36 1.55 0.23 0.00 0.00 176.35 180.58 3gcm h PRO 335 N 5.90 0.38 -0.02 1.29 0.13 -2.03 -3.33 132.00 134.32 3gcm h PRO 335 Ca -0.39 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.37 3gcm h PRO 335 Cb 1.18 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3gcm h PRO 335 CO 0.55 1.03 -0.17 0.54 -0.23 0.00 0.00 178.00 179.72 3gcm n ARG 336 N -3.77 1.84 -3.01 0.86 5.12 -1.26 -4.96 116.66 111.47 3gcm n ARG 336 Ca -0.05 -1.53 -0.32 0.00 -1.93 0.00 0.00 57.85 54.02 3gcm n ARG 336 Cb 0.78 -1.44 -0.05 0.00 -1.16 0.00 0.00 32.46 30.59 3gcm n ARG 336 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 3gcm s THR 337 N -2.09 4.69 0.17 0.55 -1.32 -1.25 -4.99 115.64 111.40 3gcm s THR 337 Ca 0.23 0.88 -0.11 0.00 -1.21 0.00 0.00 61.69 61.48 3gcm s THR 337 Cb 0.18 -3.65 0.08 0.00 -1.51 0.00 0.00 72.50 67.60 3gcm s THR 337 CO 0.38 -0.31 1.71 0.45 -2.21 0.00 0.00 174.62 174.64 3gcm h HIS 338 N 1.89 0.98 -2.45 9.09 3.86 -1.92 -3.44 115.15 123.16 3gcm h HIS 338 Ca -0.48 -0.10 -0.08 0.00 -1.16 0.00 0.00 60.37 58.56 3gcm h HIS 338 Cb 1.18 -0.28 -0.24 0.00 1.06 0.00 0.00 27.41 29.12 3gcm h HIS 338 CO 0.62 0.81 -0.17 0.20 0.86 0.00 0.00 177.93 180.24 3gcm s GLY 339 N -3.25 -0.41 0.05 2.45 0.00 -0.98 -3.83 107.32 101.33 3gcm s GLY 339 Ca -0.13 1.71 0.01 0.00 0.00 0.00 0.00 44.72 46.31 3gcm s GLY 339 CO 0.81 1.72 -0.06 -1.35 0.00 0.00 0.00 173.10 174.22 3gcm s SER 340 N 1.11 0.68 -0.06 1.64 1.04 -1.26 0.36 113.70 117.21 3gcm s SER 340 Ca -0.07 -0.67 -0.16 0.00 0.48 0.00 0.00 55.95 55.54 3gcm s SER 340 Cb -0.06 0.09 0.03 0.00 0.10 0.00 0.00 66.02 66.18 3gcm s SER 340 CO -0.10 -0.33 0.36 0.00 0.98 0.00 0.00 173.24 174.15 3gcm s ALA 341 N -2.11 -0.91 -0.23 5.32 0.00 0.29 -1.30 121.76 122.82 3gcm s ALA 341 Ca -0.06 0.66 0.02 0.00 0.00 0.00 0.00 51.96 52.58 3gcm s ALA 341 Cb -0.05 -0.18 0.05 0.00 0.00 0.00 0.00 23.12 22.94 3gcm s ALA 341 CO -0.02 -0.24 -0.11 -1.17 0.00 0.00 0.00 175.76 174.22 3gcm s LEU 342 N -0.79 2.88 -0.19 0.00 2.96 -0.79 -0.99 118.68 121.77 3gcm s LEU 342 Ca -0.09 -1.16 -0.03 0.00 -0.22 0.00 0.00 54.13 52.64 3gcm s LEU 342 Cb -0.04 -1.41 -0.01 0.00 0.50 0.00 0.00 46.19 45.23 3gcm s LEU 342 CO 0.03 -0.16 -0.07 0.12 -1.32 0.00 0.00 176.35 174.95 3gcm s PHE 343 N 1.24 2.92 -0.14 5.38 5.36 -0.82 -1.49 117.98 130.43 3gcm s PHE 343 Ca -0.05 -0.85 0.01 0.00 -0.96 0.00 0.00 56.93 55.07 3gcm s PHE 343 Cb -0.18 -2.03 0.02 0.00 -0.34 0.00 0.00 43.02 40.49 3gcm s PHE 343 CO -0.07 -0.44 -0.15 0.99 -1.46 0.00 0.00 175.22 174.08 3gcm s THR 344 N 1.12 1.64 -0.31 0.12 2.01 -0.04 -1.24 115.64 118.93 3gcm s THR 344 Ca 0.01 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 61.36 3gcm s THR 344 Cb -0.15 -1.51 0.09 0.00 0.01 0.00 0.00 72.50 70.94 3gcm s THR 344 CO -0.01 0.47 0.01 -0.60 -0.69 0.00 0.00 174.62 173.80 3gcm s ARG 345 N 1.31 1.59 7.37 4.92 3.52 -0.02 -0.51 118.95 137.12 3gcm s ARG 345 Ca 0.02 -1.65 0.00 0.00 -0.13 0.00 0.00 55.73 53.97 3gcm s ARG 345 Cb -0.13 -3.00 0.00 0.00 -1.56 0.00 0.00 34.95 30.25 3gcm s ARG 345 CO -0.08 -0.84 0.00 0.41 -0.81 0.00 0.00 175.30 173.97 3gcm n GLY 346 N 4.36 3.14 1.31 8.12 0.00 -0.47 -1.99 105.19 119.66 3gcm n GLY 346 Ca -0.01 0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.19 3gcm n GLY 346 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gcm n GLU 347 N 9.29 3.73 -4.77 1.61 1.02 -1.26 -4.90 120.64 125.36 3gcm n GLU 347 Ca 0.00 -2.93 -0.33 0.00 -0.02 0.00 0.00 57.16 53.88 3gcm n GLU 347 Cb 0.00 -1.98 -0.14 0.00 -0.02 0.00 0.00 31.44 29.30 3gcm n GLU 347 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3gcm s THR 348 N -2.62 3.05 -0.03 2.62 2.01 -0.84 -2.96 115.64 116.88 3gcm s THR 348 Ca 0.47 -0.66 -0.02 0.00 0.31 0.00 0.00 61.69 61.78 3gcm s THR 348 Cb 0.36 -2.28 0.01 0.00 0.01 0.00 0.00 72.50 70.59 3gcm s THR 348 CO 0.13 0.52 0.07 -1.58 -0.69 0.00 0.00 174.62 173.08 3gcm s GLN 349 N 0.36 0.07 -0.09 4.92 0.74 -0.19 -0.84 119.66 124.63 3gcm s GLN 349 Ca -0.11 0.11 -0.01 0.00 0.05 0.00 0.00 55.36 55.40 3gcm s GLN 349 Cb -0.16 0.01 0.03 0.00 1.10 0.00 0.00 33.01 33.99 3gcm s GLN 349 CO 0.06 -0.03 -0.01 0.00 -0.55 0.00 0.00 175.29 174.76 3gcm s ALA 350 N 0.15 0.83 -0.44 1.58 0.00 -0.38 -1.23 121.76 122.28 3gcm s ALA 350 Ca -0.01 -0.23 -0.22 0.00 0.00 0.00 0.00 51.96 51.50 3gcm s ALA 350 Cb -0.02 -0.80 0.02 0.00 0.00 0.00 0.00 23.12 22.33 3gcm s ALA 350 CO -0.00 -0.49 0.71 -1.17 0.00 0.00 0.00 175.76 174.81 3gcm s LEU 351 N 1.92 4.38 -0.09 0.00 2.96 0.37 -1.95 118.68 126.27 3gcm s LEU 351 Ca 0.05 -0.22 0.03 0.00 -0.22 0.00 0.00 54.13 53.77 3gcm s LEU 351 Cb -0.13 -2.84 -0.01 0.00 0.50 0.00 0.00 46.19 43.71 3gcm s LEU 351 CO -0.06 -0.84 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.23 3gcm s VAL 352 N 3.05 2.42 0.24 1.68 1.01 -0.16 -0.45 120.40 128.19 3gcm s VAL 352 Ca 0.26 -0.91 0.11 0.00 0.00 0.00 0.00 61.98 61.45 3gcm s VAL 352 Cb -0.13 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 3gcm s VAL 352 CO 0.21 0.56 -0.18 0.42 0.00 0.00 0.00 175.10 176.10 3gcm s THR 353 N 0.09 2.60 -0.03 3.92 -4.23 -0.30 -0.54 115.64 117.15 3gcm s THR 353 Ca -0.09 -2.17 0.03 0.00 -1.18 0.00 0.00 61.69 58.28 3gcm s THR 353 Cb -0.15 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.36 3gcm s THR 353 CO 0.06 -0.28 -0.13 0.00 -0.54 0.00 0.00 174.62 173.73 3gcm s ALA 354 N -2.15 1.19 -0.08 3.99 0.00 0.16 -1.86 121.76 123.01 3gcm s ALA 354 Ca 0.27 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.74 3gcm s ALA 354 Cb -0.06 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.66 3gcm s ALA 354 CO 0.14 0.21 -0.12 0.99 0.00 0.00 0.00 175.76 176.98 3gcm s THR 355 N 0.13 1.14 0.01 0.00 2.01 0.19 -2.32 115.64 116.80 3gcm s THR 355 Ca -0.04 -0.46 -0.18 0.00 0.31 0.00 0.00 61.69 61.32 3gcm s THR 355 Cb -0.10 -1.06 -0.06 0.00 0.01 0.00 0.00 72.50 71.29 3gcm s THR 355 CO 0.01 0.36 0.52 -0.76 -0.69 0.00 0.00 174.62 174.07 3gcm s LEU 356 N 0.84 4.45 0.00 4.42 1.43 -1.26 -1.01 118.68 127.55 3gcm s LEU 356 Ca -0.11 1.10 0.00 0.00 -1.03 0.00 0.00 54.13 54.09 3gcm s LEU 356 Cb -0.15 -2.80 0.00 0.00 0.03 0.00 0.00 46.19 43.27 3gcm s LEU 356 CO 0.02 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.41 3gcm n GLY 357 N 2.15 3.67 0.81 -3.19 0.00 0.27 -4.97 105.19 103.93 3gcm n GLY 357 Ca -0.10 -1.45 -0.05 0.00 0.00 0.00 0.00 46.02 44.41 3gcm n GLY 357 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gcm n THR 358 N 0.00 0.00 0.08 2.61 -2.24 -1.26 -1.20 114.28 112.26 3gcm n THR 358 Ca 0.00 -0.45 -0.09 0.00 -2.27 0.00 0.00 64.05 61.23 3gcm n THR 358 Cb 0.00 -0.50 -0.05 0.00 -2.10 0.00 0.00 70.33 67.67 3gcm n THR 358 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gcm h ALA 359 N 0.67 -0.83 -0.43 6.98 0.00 -1.97 -2.31 119.26 121.36 3gcm h ALA 359 Ca -0.07 -0.07 0.18 0.00 0.00 0.00 0.00 54.91 54.95 3gcm h ALA 359 Cb 0.27 0.67 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 3gcm h ALA 359 CO 0.11 -0.89 0.23 0.54 0.00 0.00 0.00 179.25 179.24 3gcm n ARG 360 N -4.10 -0.03 0.12 0.00 1.74 -1.26 0.94 116.66 114.07 3gcm n ARG 360 Ca -0.05 0.60 0.12 0.00 -0.77 0.00 0.00 57.85 57.75 3gcm n ARG 360 Cb 0.23 -1.07 0.27 0.00 -1.02 0.00 0.00 32.46 30.87 3gcm n ARG 360 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3gcm h ASP 361 N 0.00 0.00 -3.85 0.55 3.32 -1.79 -3.46 116.42 111.20 3gcm h ASP 361 Ca 0.37 -0.05 -0.53 0.00 0.02 0.00 0.00 57.03 56.84 3gcm h ASP 361 Cb 0.98 0.00 0.09 0.00 0.22 0.00 0.00 39.33 40.61 3gcm h ASP 361 CO -0.33 0.02 0.74 0.00 -1.72 0.00 0.00 179.24 177.95 3gcm s ALA 362 N -3.16 3.56 -0.01 3.45 0.00 0.27 -4.97 121.76 120.90 3gcm s ALA 362 Ca 0.08 1.45 -0.28 0.00 0.00 0.00 0.00 51.96 53.21 3gcm s ALA 362 Cb 0.11 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 3gcm s ALA 362 CO 0.66 -0.89 0.90 -1.14 0.00 0.00 0.00 175.76 175.29 3gcm s GLN 363 N -1.78 4.53 -0.37 0.00 0.74 -0.20 -4.82 119.66 117.77 3gcm s GLN 363 Ca 0.53 1.28 -0.19 0.00 0.05 0.00 0.00 55.36 57.02 3gcm s GLN 363 Cb -0.44 -3.45 0.00 0.00 1.10 0.00 0.00 33.01 30.22 3gcm s GLN 363 CO 0.57 0.00 0.58 0.08 -0.55 0.00 0.00 175.29 175.97 3gcm s VAL 364 N 0.87 4.94 -0.37 1.34 1.01 -1.26 0.64 120.40 127.58 3gcm s VAL 364 Ca 0.48 0.39 -0.12 0.00 0.00 0.00 0.00 61.98 62.72 3gcm s VAL 364 Cb -0.20 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.15 3gcm s VAL 364 CO 0.25 -0.31 0.22 -0.76 0.00 0.00 0.00 175.10 174.51 3gcm s LEU 365 N 2.57 4.67 -1.30 3.92 1.43 0.68 -5.00 118.68 125.65 3gcm s LEU 365 Ca 0.21 -0.80 -0.10 0.00 -1.03 0.00 0.00 54.13 52.41 3gcm s LEU 365 Cb -0.15 -2.07 0.15 0.00 0.03 0.00 0.00 46.19 44.15 3gcm s LEU 365 CO 0.15 -0.34 1.92 -0.67 0.23 0.00 0.00 176.35 177.63 3gcm n ASP 366 N 5.05 4.92 -4.88 2.29 2.03 -1.26 -1.75 116.55 122.95 3gcm n ASP 366 Ca -0.12 -3.07 -0.30 0.00 0.52 0.00 0.00 54.79 51.82 3gcm n ASP 366 Cb 0.47 -1.50 0.01 0.00 -0.72 0.00 0.00 41.12 39.38 3gcm n ASP 366 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3gcm s GLU 367 N 0.78 3.57 0.30 -0.67 2.02 -1.26 -4.97 118.70 118.47 3gcm s GLU 367 Ca 0.41 0.54 0.11 0.00 0.02 0.00 0.00 54.97 56.05 3gcm s GLU 367 Cb 0.10 -2.19 0.47 0.00 0.10 0.00 0.00 34.13 32.61 3gcm s GLU 367 CO -0.01 -0.44 1.67 1.25 0.02 0.00 0.00 175.26 177.75 3gcm h LEU 368 N -0.13 0.00 -0.68 1.80 5.85 -1.99 -3.02 115.31 117.15 3gcm h LEU 368 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3gcm h LEU 368 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3gcm h LEU 368 CO 0.62 0.54 -0.02 0.23 -0.34 0.00 0.00 178.44 179.47 3gcm n MET 369 N -3.86 1.42 0.00 1.25 2.81 -1.26 -4.86 117.12 112.61 3gcm n MET 369 Ca -0.01 -0.68 0.00 0.00 -1.81 0.00 0.00 57.70 55.20 3gcm n MET 369 Cb 0.56 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.58 3gcm n MET 369 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gcm n GLY 370 N 1.15 4.62 3.77 3.03 0.00 -1.14 -4.89 105.19 111.72 3gcm n GLY 370 Ca 0.20 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 3gcm n GLY 370 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3gcm s GLU 371 N -4.87 4.21 -0.07 1.61 2.12 -1.26 -4.15 118.70 116.29 3gcm s GLU 371 Ca 0.00 2.43 -0.06 0.00 0.36 0.00 0.00 54.97 57.70 3gcm s GLU 371 Cb 0.00 -3.02 0.02 0.00 0.26 0.00 0.00 34.13 31.38 3gcm s GLU 371 CO 0.00 -0.42 0.18 0.50 -0.54 0.00 0.00 175.26 174.98 3gcm s ARG 372 N -1.59 0.21 -0.16 4.30 3.52 -0.72 -4.98 118.95 119.53 3gcm s ARG 372 Ca 0.54 0.27 -0.06 0.00 -0.13 0.00 0.00 55.73 56.34 3gcm s ARG 372 Cb -0.44 0.09 -0.04 0.00 -1.56 0.00 0.00 34.95 33.00 3gcm s ARG 372 CO 0.56 -0.03 0.05 0.95 -0.81 0.00 0.00 175.30 176.01 3gcm s THR 373 N 0.17 4.72 -0.22 4.11 -4.23 -1.26 -0.23 115.64 118.70 3gcm s THR 373 Ca -0.01 -0.06 -0.08 0.00 -1.18 0.00 0.00 61.69 60.36 3gcm s THR 373 Cb -0.02 -3.10 -0.04 0.00 1.34 0.00 0.00 72.50 70.68 3gcm s THR 373 CO -0.00 0.49 0.08 -0.62 -0.54 0.00 0.00 174.62 174.03 3gcm s ASP 374 N 0.11 5.46 0.04 3.99 -1.08 0.21 -4.93 116.67 120.47 3gcm s ASP 374 Ca 0.05 -0.05 0.20 0.00 -0.52 0.00 0.00 52.55 52.23 3gcm s ASP 374 Cb -0.12 -1.96 -0.18 0.00 -1.46 0.00 0.00 42.92 39.20 3gcm s ASP 374 CO 0.01 0.06 0.68 0.41 0.52 0.00 0.00 175.17 176.85 3gcm n THR 375 N 4.29 0.69 -4.02 1.71 -1.04 -1.26 -1.04 114.28 113.62 3gcm n THR 375 Ca -0.16 -0.62 -0.34 0.00 -2.04 0.00 0.00 64.05 60.90 3gcm n THR 375 Cb 0.52 -0.37 -0.15 0.00 -1.82 0.00 0.00 70.33 68.51 3gcm n THR 375 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 3gcm s PHE 376 N -3.17 3.01 -0.09 -1.42 5.36 -1.26 -1.09 117.98 119.32 3gcm s PHE 376 Ca -0.05 -1.66 0.01 0.00 -0.96 0.00 0.00 56.93 54.28 3gcm s PHE 376 Cb 0.10 -2.00 -0.02 0.00 -0.34 0.00 0.00 43.02 40.75 3gcm s PHE 376 CO 0.84 -0.76 -0.12 -0.51 -1.46 0.00 0.00 175.22 173.21 3gcm s LEU 377 N 1.29 2.84 -0.17 6.12 1.43 0.14 -5.01 118.68 125.32 3gcm s LEU 377 Ca 0.00 -0.20 -0.03 0.00 -1.03 0.00 0.00 54.13 52.87 3gcm s LEU 377 Cb -0.16 -1.61 0.06 0.00 0.03 0.00 0.00 46.19 44.50 3gcm s LEU 377 CO -0.07 0.28 0.04 0.12 0.23 0.00 0.00 176.35 176.95 3gcm s PHE 378 N -0.33 0.85 -0.07 0.29 5.36 -1.26 0.14 117.98 122.98 3gcm s PHE 378 Ca 0.03 -0.68 0.04 0.00 -0.96 0.00 0.00 56.93 55.36 3gcm s PHE 378 Cb -0.13 -0.95 -0.02 0.00 -0.34 0.00 0.00 43.02 41.59 3gcm s PHE 378 CO 0.02 -0.56 -0.18 -1.01 -1.46 0.00 0.00 175.22 172.04 3gcm s HIS 379 N 1.91 2.63 -0.15 10.12 3.76 0.15 -4.68 115.29 129.03 3gcm s HIS 379 Ca 0.00 -0.42 0.01 0.00 -0.15 0.00 0.00 55.06 54.50 3gcm s HIS 379 Cb -0.16 -1.66 0.02 0.00 1.11 0.00 0.00 32.58 31.89 3gcm s HIS 379 CO -0.08 -0.01 -0.15 -0.47 -0.85 0.00 0.00 174.74 173.18 3gcm s TYR 380 N -0.36 2.29 -0.12 1.40 5.04 -1.26 -0.29 117.35 124.04 3gcm s TYR 380 Ca 0.03 -1.30 -0.00 0.00 -2.44 0.00 0.00 57.07 53.36 3gcm s TYR 380 Cb -0.12 -1.66 -0.02 0.00 0.35 0.00 0.00 41.96 40.51 3gcm s TYR 380 CO 0.02 -0.69 -0.11 -0.80 -1.34 0.00 0.00 175.55 172.63 3gcm s ASN 381 N 1.42 4.21 -0.61 4.32 0.01 0.14 -4.75 114.94 119.67 3gcm s ASN 381 Ca 0.04 -0.26 0.04 0.00 -0.71 0.00 0.00 52.86 51.98 3gcm s ASN 381 Cb -0.13 -1.55 0.16 0.00 0.41 0.00 0.00 41.25 40.15 3gcm s ASN 381 CO -0.11 0.20 0.42 0.12 -1.51 0.00 0.00 177.10 176.22 3gcm s PHE 382 N 0.18 2.98 0.58 2.20 5.36 -1.26 -1.36 117.98 126.65 3gcm s PHE 382 Ca -0.06 -3.08 -0.17 0.00 -0.96 0.00 0.00 56.93 52.66 3gcm s PHE 382 Cb -0.15 -2.34 -0.04 0.00 -0.34 0.00 0.00 43.02 40.15 3gcm s PHE 382 CO 0.04 -0.63 1.08 -1.25 -1.46 0.00 0.00 175.22 173.00 3gcm s PRO 383 N -0.94 3.30 0.60 10.12 0.04 -1.26 -4.95 135.00 141.91 3gcm s PRO 383 Ca 0.25 1.33 0.38 0.00 0.04 0.00 0.00 61.00 63.01 3gcm s PRO 383 Cb -0.07 -2.02 1.83 0.00 0.04 0.00 0.00 34.50 34.28 3gcm s PRO 383 CO -0.14 -0.85 2.16 -1.00 0.04 0.00 0.00 177.00 177.21 3gcm h PRO 384 N 0.66 0.00 0.00 0.56 0.13 -1.88 -2.75 132.00 128.72 3gcm h PRO 384 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3gcm h PRO 384 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3gcm h PRO 384 CO 0.57 0.00 0.00 0.10 -0.23 0.00 0.00 178.00 178.44 3gcm h TYR 385 N 0.00 0.00 0.00 1.56 -0.00 -1.91 -0.15 116.97 116.47 3gcm h TYR 385 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.73 58.70 3gcm h TYR 385 Cb 0.29 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.02 3gcm h TYR 385 CO 0.00 0.00 -0.12 0.66 -0.00 0.00 0.00 178.16 178.70 3gcm h SER 386 N 0.00 0.00 -0.11 0.10 4.64 -1.63 -2.34 113.55 114.21 3gcm h SER 386 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gcm h SER 386 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3gcm h SER 386 CO 0.00 0.12 0.00 1.33 -0.87 0.00 0.00 176.83 177.41 3gcm n VAL 387 N -3.78 1.91 -3.18 0.95 0.24 -1.13 -1.17 118.33 112.17 3gcm n VAL 387 Ca -0.02 -1.96 -0.15 0.00 -2.04 0.00 0.00 64.34 60.17 3gcm n VAL 387 Cb 0.23 -0.15 0.05 0.00 -1.47 0.00 0.00 33.84 32.50 3gcm n VAL 387 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gcm n GLY 388 N -0.93 0.01 3.43 7.63 0.00 -0.88 -5.04 105.19 109.42 3gcm n GLY 388 Ca 0.16 -0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 3gcm n GLY 388 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gcm s GLU 389 N -5.81 1.57 0.08 1.61 2.02 -0.08 -4.98 118.70 113.10 3gcm s GLU 389 Ca 0.36 -1.80 0.04 0.00 0.02 0.00 0.00 54.97 53.59 3gcm s GLU 389 Cb -0.16 -1.14 -0.04 0.00 0.10 0.00 0.00 34.13 32.89 3gcm s GLU 389 CO 0.46 0.02 0.03 0.95 0.02 0.00 0.00 175.26 176.73 3gcm s THR 390 N -3.03 4.22 -0.07 3.63 -4.23 -1.26 -3.16 115.64 111.73 3gcm s THR 390 Ca 0.30 -0.87 -0.29 0.00 -1.18 0.00 0.00 61.69 59.65 3gcm s THR 390 Cb 0.04 -3.01 0.09 0.00 1.34 0.00 0.00 72.50 70.96 3gcm s THR 390 CO 0.12 0.14 1.28 0.61 -0.54 0.00 0.00 174.62 176.23 3gcm n GLY 391 N 0.60 0.13 3.76 3.99 0.00 -1.26 -4.98 105.19 107.42 3gcm n GLY 391 Ca -0.10 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.54 3gcm n GLY 391 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3gcm s MET 392 N -2.00 3.37 -0.28 1.61 1.75 -1.26 -4.92 119.30 117.56 3gcm s MET 392 Ca 0.30 1.92 0.08 0.00 -1.25 0.00 0.00 55.69 56.74 3gcm s MET 392 Cb -0.00 -2.23 0.45 0.00 2.84 0.00 0.00 34.83 35.89 3gcm s MET 392 CO -0.02 -0.91 1.22 0.28 -0.65 0.00 0.00 175.02 174.93 3gcm n VAL 393 N -0.95 2.48 0.00 10.11 0.31 -1.26 -4.83 118.33 124.19 3gcm n VAL 393 Ca 0.10 -3.94 0.00 0.00 -0.01 0.00 0.00 64.34 60.49 3gcm n VAL 393 Cb 0.48 -0.91 0.00 0.00 -0.91 0.00 0.00 33.84 32.49 3gcm n VAL 393 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gcm n GLY 394 N -0.82 -0.22 3.72 2.92 0.00 -1.26 -5.03 105.19 104.51 3gcm n GLY 394 Ca 0.38 -1.35 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 3gcm n GLY 394 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gcm s SER 395 N -1.28 3.69 0.31 1.61 1.04 -1.26 -4.95 113.70 112.86 3gcm s SER 395 Ca 0.00 1.66 -0.29 0.00 0.48 0.00 0.00 55.95 57.79 3gcm s SER 395 Cb 0.00 -2.32 -0.11 0.00 0.10 0.00 0.00 66.02 63.69 3gcm s SER 395 CO 0.00 -2.53 1.53 -2.84 0.98 0.00 0.00 173.24 170.39 3gcm s PRO 396 N -4.88 4.15 0.74 4.02 0.02 -1.26 -5.00 135.00 132.79 3gcm s PRO 396 Ca 0.63 2.52 -0.12 0.00 0.02 0.00 0.00 61.00 64.06 3gcm s PRO 396 Cb -0.18 -3.02 0.04 0.00 0.02 0.00 0.00 34.50 31.35 3gcm s PRO 396 CO 0.57 -0.56 1.10 0.15 -0.33 0.00 0.00 177.00 177.93 3gcm s LYS 397 N -0.92 2.57 0.24 5.54 1.02 -1.26 -4.87 119.74 122.06 3gcm s LYS 397 Ca 0.60 0.48 -0.05 0.00 0.02 0.00 0.00 55.97 57.02 3gcm s LYS 397 Cb -0.46 -1.99 0.38 0.00 -0.52 0.00 0.00 37.83 35.24 3gcm s LYS 397 CO 0.51 -1.25 1.80 0.00 -0.92 0.00 0.00 175.35 175.50 3gcm h ARG 398 N -0.81 0.72 -0.60 1.68 3.08 -1.99 -1.34 114.38 115.12 3gcm h ARG 398 Ca -0.46 -0.04 0.11 0.00 0.07 0.00 0.00 59.98 59.66 3gcm h ARG 398 Cb 1.26 -0.16 -0.08 0.00 0.08 0.00 0.00 29.97 31.07 3gcm h ARG 398 CO 0.63 0.48 0.17 -0.09 -1.07 0.00 0.00 179.97 180.08 3gcm h ARG 399 N 0.74 0.30 -0.26 0.04 9.65 -1.99 -1.59 114.38 121.28 3gcm h ARG 399 Ca 0.38 -0.02 -0.09 0.00 -1.10 0.00 0.00 59.98 59.16 3gcm h ARG 399 Cb 0.36 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.86 3gcm h ARG 399 CO -0.25 0.20 -0.23 0.93 2.80 0.00 0.00 179.97 183.42 3gcm h GLU 400 N 0.31 0.49 -0.30 0.20 5.08 -1.59 -0.92 114.58 117.85 3gcm h GLU 400 Ca 0.31 -0.18 -0.17 0.00 -1.00 0.00 0.00 59.36 58.32 3gcm h GLU 400 Cb 0.44 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 3gcm h GLU 400 CO -0.36 0.69 -0.48 0.82 -1.00 0.00 0.00 179.01 178.67 3gcm h ILE 401 N 0.44 1.28 -0.53 3.13 2.04 -1.17 -2.36 117.51 120.33 3gcm h ILE 401 Ca 0.07 -1.67 -0.10 0.00 1.00 0.00 0.00 64.86 64.16 3gcm h ILE 401 Cb 0.64 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 3gcm h ILE 401 CO 0.05 0.54 -0.06 1.23 0.00 0.00 0.00 178.15 179.91 3gcm h GLY 402 N 0.64 1.06 2.00 5.37 0.00 -0.99 -2.66 103.07 108.49 3gcm h GLY 402 Ca 0.02 -0.83 -0.16 0.00 0.00 0.00 0.00 47.33 46.36 3gcm h GLY 402 CO 0.11 0.76 -0.76 0.45 0.00 0.00 0.00 176.54 177.10 3gcm h HIS 403 N 0.86 0.00 -0.19 5.60 3.86 -1.24 -2.13 115.15 121.91 3gcm h HIS 403 Ca 0.14 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.26 3gcm h HIS 403 Cb 0.62 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.07 3gcm h HIS 403 CO 0.04 0.76 -0.30 0.78 0.86 0.00 0.00 177.93 180.07 3gcm h GLY 404 N 2.99 0.40 1.45 2.45 0.00 -1.41 -2.09 103.07 106.86 3gcm h GLY 404 Ca -0.01 -0.34 -0.27 0.00 0.00 0.00 0.00 47.33 46.72 3gcm h GLY 404 CO 0.10 0.31 -1.13 -0.09 0.00 0.00 0.00 176.54 175.72 3gcm h ARG 405 N 0.32 0.46 -0.28 4.80 9.65 -1.41 -2.52 114.38 125.40 3gcm h ARG 405 Ca 0.04 -0.60 -0.02 0.00 -1.10 0.00 0.00 59.98 58.31 3gcm h ARG 405 Cb 0.70 0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 29.46 3gcm h ARG 405 CO 0.05 1.24 0.10 1.25 2.80 0.00 0.00 179.97 185.41 3gcm h LEU 406 N 0.21 0.40 -1.15 3.80 5.85 -1.33 -1.62 115.31 121.47 3gcm h LEU 406 Ca -0.13 -0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.32 3gcm h LEU 406 Cb 1.80 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.72 3gcm h LEU 406 CO 0.20 0.48 -0.24 0.00 -0.34 0.00 0.00 178.44 178.54 3gcm h ALA 407 N 0.93 1.29 -0.54 1.25 0.00 -1.46 -2.14 119.26 118.59 3gcm h ALA 407 Ca 0.09 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 3gcm h ALA 407 Cb 0.22 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3gcm h ALA 407 CO -0.00 0.48 0.12 -0.22 0.00 0.00 0.00 179.25 179.62 3gcm h LYS 408 N 0.27 0.87 0.00 0.00 3.64 -1.28 -2.86 116.57 117.20 3gcm h LYS 408 Ca 0.04 -0.21 -0.05 0.00 -1.27 0.00 0.00 60.65 59.15 3gcm h LYS 408 Cb 0.58 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 3gcm h LYS 408 CO 0.04 0.83 -0.26 0.00 -2.27 0.00 0.00 179.45 177.79 3gcm h ARG 409 N 0.76 0.00 0.00 1.90 3.08 -0.98 -0.47 114.38 118.67 3gcm h ARG 409 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3gcm h ARG 409 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3gcm h ARG 409 CO 0.00 0.26 0.00 0.78 -1.07 0.00 0.00 179.97 179.94 3gcm h GLY 410 N 1.47 0.00 0.00 0.04 0.00 -1.17 -3.33 103.07 100.08 3gcm h GLY 410 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 3gcm h GLY 410 CO 0.03 0.00 -1.76 -0.62 0.00 0.00 0.00 176.54 174.20 3gcm n VAL 411 N -2.49 0.76 -0.16 4.60 0.31 -0.86 -4.61 118.33 115.88 3gcm n VAL 411 Ca 0.03 -0.45 0.18 0.00 -0.01 0.00 0.00 64.34 64.08 3gcm n VAL 411 Cb 0.34 -0.73 0.54 0.00 -0.91 0.00 0.00 33.84 33.08 3gcm n VAL 411 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3gcm h LEU 412 N 0.00 0.32 -1.93 7.52 5.85 -1.22 -1.72 115.31 124.14 3gcm h LEU 412 Ca -0.30 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 3gcm h LEU 412 Cb 1.66 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.65 3gcm h LEU 412 CO 0.01 0.16 -0.06 0.00 -0.34 0.00 0.00 178.44 178.21 3gcm h ALA 413 N 1.64 1.86 -0.02 1.25 0.00 -1.83 -2.82 119.26 119.35 3gcm h ALA 413 Ca 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3gcm h ALA 413 Cb 0.99 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3gcm h ALA 413 CO -0.11 0.07 -0.32 1.33 0.00 0.00 0.00 179.25 180.22 3gcm n VAL 414 N -4.40 0.00 -2.08 0.00 0.24 -0.65 -4.93 118.33 106.51 3gcm n VAL 414 Ca -0.03 -0.34 -0.41 0.00 -2.04 0.00 0.00 64.34 61.52 3gcm n VAL 414 Cb 0.14 1.31 -0.02 0.00 -1.47 0.00 0.00 33.84 33.79 3gcm n VAL 414 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 3gcm s MET 415 N -2.20 4.31 0.47 7.34 1.00 -1.07 -0.02 119.30 129.14 3gcm s MET 415 Ca 0.20 2.24 -0.22 0.00 0.00 0.00 0.00 55.69 57.91 3gcm s MET 415 Cb 0.17 -3.10 -0.07 0.00 0.00 0.00 0.00 34.83 31.83 3gcm s MET 415 CO 0.46 -0.31 1.11 -1.25 0.00 0.00 0.00 175.02 175.03 3gcm s PRO 416 N -0.91 3.73 0.96 2.03 0.04 -1.26 -4.83 135.00 134.76 3gcm s PRO 416 Ca 0.55 1.61 -0.16 0.00 0.04 0.00 0.00 61.00 63.05 3gcm s PRO 416 Cb -0.40 -2.27 0.19 0.00 0.04 0.00 0.00 34.50 32.05 3gcm s PRO 416 CO 0.47 -0.53 1.29 0.16 0.04 0.00 0.00 177.00 178.42 3gcm s ASP 417 N -1.61 3.13 0.44 6.66 1.47 -1.26 -4.78 116.67 120.72 3gcm s ASP 417 Ca 0.66 0.37 0.22 0.00 1.18 0.00 0.00 52.55 54.97 3gcm s ASP 417 Cb -0.24 -0.49 0.99 0.00 -0.34 0.00 0.00 42.92 42.84 3gcm s ASP 417 CO 0.29 -2.73 1.88 0.24 0.68 0.00 0.00 175.17 175.53 3gcm h MET 418 N -1.64 0.00 -0.18 2.11 2.86 -1.97 -0.99 114.93 115.12 3gcm h MET 418 Ca -0.45 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.15 3gcm h MET 418 Cb 1.25 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.91 3gcm h MET 418 CO 0.42 0.26 -0.07 -0.44 1.06 0.00 0.00 176.91 178.14 3gcm h ASP 419 N 0.00 0.37 -0.28 1.22 3.32 -2.00 -3.02 116.42 116.03 3gcm h ASP 419 Ca -0.00 -0.39 -0.17 0.00 0.02 0.00 0.00 57.03 56.49 3gcm h ASP 419 Cb 0.64 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 3gcm h ASP 419 CO 0.03 0.67 -0.47 0.50 -1.72 0.00 0.00 179.24 178.26 3gcm h LYS 420 N 0.06 0.82 -2.40 3.56 1.63 -1.86 -3.41 116.57 114.96 3gcm h LYS 420 Ca 0.04 -0.50 -0.50 0.00 -0.85 0.00 0.00 60.65 58.84 3gcm h LYS 420 Cb 0.53 0.05 -0.36 0.00 -0.60 0.00 0.00 32.23 31.84 3gcm h LYS 420 CO 0.02 1.13 -0.78 0.12 -3.45 0.00 0.00 179.45 176.49 3gcm s PHE 421 N -4.17 0.30 -1.42 1.91 5.36 -0.40 -5.02 117.98 114.53 3gcm s PHE 421 Ca -0.11 -1.21 -0.08 0.00 -0.96 0.00 0.00 56.93 54.57 3gcm s PHE 421 Cb 0.09 -0.73 0.06 0.00 -0.34 0.00 0.00 43.02 42.10 3gcm s PHE 421 CO 0.87 -0.88 2.46 -0.35 -1.46 0.00 0.00 175.22 175.87 3gcm n PRO 422 N 4.33 3.99 -3.95 10.12 -0.04 -1.14 -4.37 135.00 143.95 3gcm n PRO 422 Ca 0.09 -3.00 -0.10 0.00 -0.04 0.00 0.00 63.50 60.44 3gcm n PRO 422 Cb 0.41 -2.80 -0.12 0.00 -0.04 0.00 0.00 33.50 30.95 3gcm n PRO 422 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3gcm s TYR 423 N 0.54 0.20 0.06 0.54 1.51 -1.26 -4.91 117.35 114.03 3gcm s TYR 423 Ca 0.56 -0.36 -0.30 0.00 -1.01 0.00 0.00 57.07 55.96 3gcm s TYR 423 Cb 0.16 -0.14 -0.05 0.00 -0.11 0.00 0.00 41.96 41.82 3gcm s TYR 423 CO -0.07 -0.12 1.11 0.99 -1.11 0.00 0.00 175.55 176.34 3gcm s THR 424 N -0.99 4.30 -0.14 -0.71 2.01 -0.34 -4.88 115.64 114.90 3gcm s THR 424 Ca -0.11 1.70 0.02 0.00 0.31 0.00 0.00 61.69 63.61 3gcm s THR 424 Cb -0.07 -4.09 0.01 0.00 0.01 0.00 0.00 72.50 68.37 3gcm s THR 424 CO -0.01 0.16 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.18 3gcm s VAL 425 N 0.84 1.98 -0.17 3.82 1.01 -0.25 0.94 120.40 128.58 3gcm s VAL 425 Ca 0.55 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 3gcm s VAL 425 Cb -0.26 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 3gcm s VAL 425 CO 0.30 0.53 -0.11 -0.60 0.00 0.00 0.00 175.10 175.22 3gcm s ARG 426 N 0.84 3.34 -0.18 2.72 3.52 -0.18 -0.68 118.95 128.33 3gcm s ARG 426 Ca -0.07 -0.68 -0.02 0.00 -0.13 0.00 0.00 55.73 54.83 3gcm s ARG 426 Cb -0.15 -2.75 -0.01 0.00 -1.56 0.00 0.00 34.95 30.47 3gcm s ARG 426 CO -0.02 0.03 -0.08 0.08 -0.81 0.00 0.00 175.30 174.49 3gcm s VAL 427 N 0.84 3.23 -0.16 7.11 1.01 0.12 -0.64 120.40 131.92 3gcm s VAL 427 Ca -0.03 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.38 3gcm s VAL 427 Cb -0.15 -2.42 -0.00 0.00 0.00 0.00 0.00 36.38 33.81 3gcm s VAL 427 CO 0.00 0.47 -0.15 -0.69 0.00 0.00 0.00 175.10 174.74 3gcm s VAL 428 N 0.95 2.71 -0.27 2.92 1.01 -0.78 -0.68 120.40 126.28 3gcm s VAL 428 Ca -0.01 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.16 3gcm s VAL 428 Cb -0.15 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.09 3gcm s VAL 428 CO -0.00 0.51 0.03 -0.55 0.00 0.00 0.00 175.10 175.09 3gcm s SER 429 N 0.83 4.81 -0.39 3.32 0.15 0.60 -1.15 113.70 121.88 3gcm s SER 429 Ca -0.05 -0.65 -0.13 0.00 0.70 0.00 0.00 55.95 55.82 3gcm s SER 429 Cb -0.15 -1.81 0.02 0.00 -1.71 0.00 0.00 66.02 62.36 3gcm s SER 429 CO -0.00 -0.13 0.26 -1.61 1.20 0.00 0.00 173.24 172.96 3gcm s GLU 430 N 1.47 3.03 -0.57 5.44 0.41 0.40 -0.69 118.70 128.19 3gcm s GLU 430 Ca 0.03 -0.97 -0.28 0.00 -0.41 0.00 0.00 54.97 53.34 3gcm s GLU 430 Cb -0.16 -3.88 0.02 0.00 -1.78 0.00 0.00 34.13 28.33 3gcm s GLU 430 CO 0.00 -0.68 1.28 0.42 -0.49 0.00 0.00 175.26 175.80 3gcm s ILE 431 N 1.65 3.93 -0.17 -1.63 -1.09 -0.47 -0.48 121.20 122.94 3gcm s ILE 431 Ca 0.04 0.82 0.20 0.00 -2.23 0.00 0.00 60.65 59.48 3gcm s ILE 431 Cb -0.19 -4.60 -0.09 0.00 -1.58 0.00 0.00 42.46 36.01 3gcm s ILE 431 CO 0.09 -1.26 0.89 0.35 -1.23 0.00 0.00 174.94 173.79 3gcm n THR 432 N 6.76 0.82 -3.80 2.92 -2.24 -0.36 -4.31 114.28 114.06 3gcm n THR 432 Ca 0.10 -0.61 -0.13 0.00 -2.27 0.00 0.00 64.05 61.15 3gcm n THR 432 Cb 0.49 -0.48 -0.12 0.00 -2.10 0.00 0.00 70.33 68.13 3gcm n THR 432 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3gcm s GLU 433 N -3.18 0.28 -0.06 -0.78 2.02 -1.09 -4.06 118.70 111.83 3gcm s GLU 433 Ca -0.02 0.23 0.01 0.00 0.02 0.00 0.00 54.97 55.21 3gcm s GLU 433 Cb 0.09 0.13 0.02 0.00 0.10 0.00 0.00 34.13 34.48 3gcm s GLU 433 CO 0.81 -0.04 -0.06 0.45 0.02 0.00 0.00 175.26 176.44 3gcm s SER 434 N -0.04 1.35 -0.32 -0.19 0.15 -0.32 -1.02 113.70 113.31 3gcm s SER 434 Ca -0.02 -0.18 0.16 0.00 0.70 0.00 0.00 55.95 56.62 3gcm s SER 434 Cb -0.02 -0.57 0.44 0.00 -1.71 0.00 0.00 66.02 64.16 3gcm s SER 434 CO 0.01 -0.06 1.33 -3.20 1.20 0.00 0.00 173.24 172.51 3gcm n ASN 435 N 4.25 -0.26 0.00 5.45 5.15 -1.15 -4.75 115.26 123.94 3gcm n ASN 435 Ca -0.21 -2.23 0.00 0.00 -0.60 0.00 0.00 54.58 51.54 3gcm n ASN 435 Cb 0.51 0.24 0.00 0.00 -0.53 0.00 0.00 39.78 39.99 3gcm n ASN 435 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3gcm n GLY 436 N -0.99 1.97 3.69 8.20 0.00 -1.26 -2.41 105.19 114.40 3gcm n GLY 436 Ca -0.05 -1.97 -0.52 0.00 0.00 0.00 0.00 46.02 43.47 3gcm n GLY 436 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gcm n SER 437 N 0.00 2.91 0.05 1.61 2.88 -1.26 -4.64 113.62 115.17 3gcm n SER 437 Ca 0.00 1.03 -0.02 0.00 -1.33 0.00 0.00 58.87 58.54 3gcm n SER 437 Cb 0.00 -1.27 -0.07 0.00 -0.75 0.00 0.00 64.21 62.12 3gcm n SER 437 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3gcm h SER 438 N 8.05 0.00 1.08 -3.46 4.64 -1.96 -3.14 113.55 118.77 3gcm h SER 438 Ca -0.47 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.75 3gcm h SER 438 Cb 1.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 3gcm h SER 438 CO 0.95 0.71 -0.47 0.77 -0.87 0.00 0.00 176.83 177.91 3gcm h SER 439 N 0.00 0.00 1.21 4.97 4.64 -1.92 -1.94 113.55 120.51 3gcm h SER 439 Ca -0.12 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.04 3gcm h SER 439 Cb 1.65 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.72 3gcm h SER 439 CO 0.07 0.47 -0.80 0.24 -0.87 0.00 0.00 176.83 175.94 3gcm h MET 440 N 0.00 0.00 0.00 4.77 2.86 -1.89 -2.90 114.93 117.77 3gcm h MET 440 Ca -0.00 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 3gcm h MET 440 Cb 1.14 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.79 3gcm h MET 440 CO 0.06 0.70 -0.47 0.00 1.06 0.00 0.00 176.91 178.27 3gcm h ALA 441 N 1.27 1.09 -0.17 6.32 0.00 -1.46 -2.91 119.26 123.39 3gcm h ALA 441 Ca -0.02 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.33 3gcm h ALA 441 Cb 1.58 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 3gcm h ALA 441 CO 0.09 0.58 -0.45 0.77 0.00 0.00 0.00 179.25 180.25 3gcm h SER 442 N 0.00 0.45 -0.03 0.00 0.02 -1.27 -0.93 113.55 111.78 3gcm h SER 442 Ca -0.00 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 60.74 3gcm h SER 442 Cb 0.90 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.31 3gcm h SER 442 CO 0.06 0.83 0.01 0.58 -1.14 0.00 0.00 176.83 177.18 3gcm h VAL 443 N 0.34 1.16 -0.35 2.27 2.07 -1.36 -0.20 116.25 120.18 3gcm h VAL 443 Ca 0.02 -0.48 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 3gcm h VAL 443 Cb 0.92 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 3gcm h VAL 443 CO 0.08 0.13 0.11 0.00 0.02 0.00 0.00 177.57 177.90 3gcm h GLY 445 N 0.41 1.04 0.99 0.00 0.00 -1.15 -2.55 103.07 101.80 3gcm h GLY 445 Ca 0.11 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 46.85 3gcm h GLY 445 CO -0.00 0.50 0.10 0.00 0.00 0.00 0.00 176.54 177.14 3gcm h ALA 446 N 1.35 0.68 -0.98 3.60 0.00 -0.93 -1.33 119.26 121.65 3gcm h ALA 446 Ca 0.23 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3gcm h ALA 446 Cb 0.16 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 3gcm h ALA 446 CO -0.02 0.39 0.64 1.03 0.00 0.00 0.00 179.25 181.29 3gcm h SER 447 N 0.72 1.13 0.04 0.00 0.87 -1.11 0.11 113.55 115.31 3gcm h SER 447 Ca 0.16 -0.03 -0.23 0.00 -1.23 0.00 0.00 61.79 60.45 3gcm h SER 447 Cb 0.37 -0.28 0.01 0.00 -0.44 0.00 0.00 62.40 62.06 3gcm h SER 447 CO 0.01 0.82 -0.88 -0.07 -0.53 0.00 0.00 176.83 176.18 3gcm h LEU 448 N 1.32 0.80 -0.60 2.23 3.38 -1.39 -2.96 115.31 118.10 3gcm h LEU 448 Ca 0.36 -0.58 -0.14 0.00 0.09 0.00 0.00 57.88 57.61 3gcm h LEU 448 Cb -0.14 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.36 3gcm h LEU 448 CO -0.08 1.37 -0.38 0.00 0.09 0.00 0.00 178.44 179.44 3gcm h ALA 449 N 0.60 0.78 -0.36 1.53 0.00 -0.88 -1.31 119.26 119.62 3gcm h ALA 449 Ca -0.08 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 3gcm h ALA 449 Cb 1.51 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 3gcm h ALA 449 CO 0.17 0.65 -0.05 -0.07 0.00 0.00 0.00 179.25 179.95 3gcm h LEU 450 N 0.57 0.67 -0.89 0.00 3.38 -0.86 -1.47 115.31 116.70 3gcm h LEU 450 Ca 0.05 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.62 3gcm h LEU 450 Cb 0.91 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 3gcm h LEU 450 CO 0.08 0.85 0.12 0.24 0.09 0.00 0.00 178.44 179.82 3gcm h MET 451 N 0.47 0.93 -0.23 1.13 2.86 -1.49 0.57 114.93 119.17 3gcm h MET 451 Ca 0.10 -0.22 -0.07 0.00 -2.06 0.00 0.00 59.70 57.45 3gcm h MET 451 Cb 0.54 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 3gcm h MET 451 CO 0.03 0.85 -0.15 0.22 1.06 0.00 0.00 176.91 178.92 3gcm h ASP 452 N 0.89 0.37 0.81 1.22 3.58 -1.08 -1.81 116.42 120.39 3gcm h ASP 452 Ca 0.19 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.54 3gcm h ASP 452 Cb 0.36 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.31 3gcm h ASP 452 CO 0.00 0.55 0.00 0.00 -2.88 0.00 0.00 179.24 176.91 3gcm n ALA 453 N -2.48 2.34 -0.76 -0.78 0.00 -0.57 -4.66 120.51 113.60 3gcm n ALA 453 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3gcm n ALA 453 Cb 0.32 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3gcm n ALA 453 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gcm n GLY 454 N 1.32 0.54 3.67 0.00 0.00 -0.68 -4.90 105.19 105.14 3gcm n GLY 454 Ca 0.09 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.93 3gcm n GLY 454 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gcm s VAL 455 N -2.00 4.32 -1.39 1.61 1.01 0.15 -4.92 120.40 119.18 3gcm s VAL 455 Ca 0.00 1.61 -0.15 0.00 0.00 0.00 0.00 61.98 63.43 3gcm s VAL 455 Cb 0.00 -4.04 0.06 0.00 0.00 0.00 0.00 36.38 32.40 3gcm s VAL 455 CO 0.00 -0.11 2.01 -0.81 0.00 0.00 0.00 175.10 176.19 3gcm n PRO 456 N 6.29 3.02 -2.32 2.72 -0.04 -1.26 -4.31 135.00 139.10 3gcm n PRO 456 Ca 0.13 -2.92 -0.35 0.00 -0.04 0.00 0.00 63.50 60.32 3gcm n PRO 456 Cb 0.45 -3.35 -0.01 0.00 -0.04 0.00 0.00 33.50 30.55 3gcm n PRO 456 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3gcm s ILE 457 N 3.47 3.27 0.20 0.52 -4.36 -1.26 -4.25 121.20 118.79 3gcm s ILE 457 Ca 0.49 0.83 -0.10 0.00 -0.26 0.00 0.00 60.65 61.62 3gcm s ILE 457 Cb 0.10 -3.36 0.13 0.00 1.25 0.00 0.00 42.46 40.57 3gcm s ILE 457 CO -0.02 -0.13 1.79 0.11 0.24 0.00 0.00 174.94 176.93 3gcm h LYS 458 N 1.49 0.57 -2.90 0.37 6.56 -0.76 -3.46 116.57 118.44 3gcm h LYS 458 Ca -0.50 -0.03 0.02 0.00 -1.06 0.00 0.00 60.65 59.08 3gcm h LYS 458 Cb 1.25 -0.13 -0.11 0.00 -0.57 0.00 0.00 32.23 32.67 3gcm h LYS 458 CO 0.58 0.38 0.25 0.00 -2.06 0.00 0.00 179.45 178.60 3gcm s ALA 459 N -6.10 -1.55 0.52 3.86 0.00 -1.26 -5.13 121.76 112.10 3gcm s ALA 459 Ca -0.13 0.36 -0.21 0.00 0.00 0.00 0.00 51.96 51.98 3gcm s ALA 459 Cb 0.16 0.82 -0.06 0.00 0.00 0.00 0.00 23.12 24.04 3gcm s ALA 459 CO 0.75 -0.83 1.24 0.00 0.00 0.00 0.00 175.76 176.92 3gcm s ALA 460 N -3.70 2.81 0.00 0.00 0.00 -1.26 -4.89 121.76 114.72 3gcm s ALA 460 Ca 0.04 1.09 0.03 0.00 0.00 0.00 0.00 51.96 53.12 3gcm s ALA 460 Cb -0.02 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 3gcm s ALA 460 CO -0.08 -1.03 -0.11 0.54 0.00 0.00 0.00 175.76 175.08 3gcm s VAL 461 N -1.48 0.85 0.18 0.00 0.11 -1.26 -4.27 120.40 114.54 3gcm s VAL 461 Ca 0.70 -0.59 -0.11 0.00 -2.93 0.00 0.00 61.98 59.05 3gcm s VAL 461 Cb -0.33 -0.74 -0.00 0.00 -1.53 0.00 0.00 36.38 33.78 3gcm s VAL 461 CO 0.39 0.15 0.36 0.00 -3.33 0.00 0.00 175.10 172.67 3gcm s ALA 462 N -0.43 -0.22 0.22 1.54 0.00 -0.75 -4.07 121.76 118.06 3gcm s ALA 462 Ca 0.03 -0.76 -0.20 0.00 0.00 0.00 0.00 51.96 51.03 3gcm s ALA 462 Cb -0.05 0.90 0.03 0.00 0.00 0.00 0.00 23.12 24.00 3gcm s ALA 462 CO -0.00 -0.71 0.61 0.20 0.00 0.00 0.00 175.76 175.85 3gcm s GLY 463 N -2.96 -0.16 0.19 0.00 0.00 -1.26 -0.46 107.32 102.67 3gcm s GLY 463 Ca 0.17 -0.14 -0.09 0.00 0.00 0.00 0.00 44.72 44.66 3gcm s GLY 463 CO 0.01 -0.13 0.31 -0.26 0.00 0.00 0.00 173.10 173.03 3gcm s ILE 464 N -3.87 0.04 -0.13 0.90 -5.25 -0.90 -4.71 121.20 107.28 3gcm s ILE 464 Ca 0.09 -1.47 -0.02 0.00 -0.99 0.00 0.00 60.65 58.26 3gcm s ILE 464 Cb -0.03 -2.01 -0.03 0.00 2.95 0.00 0.00 42.46 43.34 3gcm s ILE 464 CO -0.01 -0.19 -0.05 0.00 -1.79 0.00 0.00 174.94 172.91 3gcm s ALA 465 N -4.00 3.00 -0.01 2.27 0.00 -1.26 -1.95 121.76 119.81 3gcm s ALA 465 Ca 0.21 -0.84 -0.01 0.00 0.00 0.00 0.00 51.96 51.33 3gcm s ALA 465 Cb 0.03 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 3gcm s ALA 465 CO 0.04 0.34 0.09 -1.64 0.00 0.00 0.00 175.76 174.59 3gcm s MET 466 N -0.03 3.12 0.49 0.00 -1.94 0.26 -2.23 119.30 118.97 3gcm s MET 466 Ca 0.01 -0.45 0.03 0.00 -1.71 0.00 0.00 55.69 53.57 3gcm s MET 466 Cb -0.13 -2.89 -0.02 0.00 2.01 0.00 0.00 34.83 33.79 3gcm s MET 466 CO 0.03 0.66 0.05 0.20 -0.01 0.00 0.00 175.02 175.94 3gcm s GLY 467 N -1.70 2.83 -0.19 -0.03 0.00 -0.12 -1.10 107.32 107.02 3gcm s GLY 467 Ca 0.23 -0.94 -0.17 0.00 0.00 0.00 0.00 44.72 43.83 3gcm s GLY 467 CO 0.14 -2.14 0.51 -2.27 0.00 0.00 0.00 173.10 169.33 3gcm s LEU 468 N -3.88 -0.01 -0.12 0.66 2.96 -1.26 -1.15 118.68 115.87 3gcm s LEU 468 Ca 0.16 1.04 0.01 0.00 -0.22 0.00 0.00 54.13 55.12 3gcm s LEU 468 Cb 0.03 1.75 0.02 0.00 0.50 0.00 0.00 46.19 48.49 3gcm s LEU 468 CO 0.09 -0.18 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.10 3gcm s VAL 469 N 0.41 1.50 -0.06 1.68 1.01 -0.97 0.09 120.40 124.07 3gcm s VAL 469 Ca -0.01 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 3gcm s VAL 469 Cb -0.04 -1.39 0.03 0.00 0.00 0.00 0.00 36.38 34.97 3gcm s VAL 469 CO -0.01 0.44 -0.00 -0.75 0.00 0.00 0.00 175.10 174.78 3gcm s LYS 470 N 1.22 0.52 -0.18 2.72 2.20 -1.26 -1.59 119.74 123.37 3gcm s LYS 470 Ca -0.02 0.09 -0.00 0.00 -0.36 0.00 0.00 55.97 55.69 3gcm s LYS 470 Cb -0.14 -0.81 0.04 0.00 -1.51 0.00 0.00 37.83 35.41 3gcm s LYS 470 CO -0.05 -0.24 -0.07 -1.21 -0.36 0.00 0.00 175.35 173.41 3gcm s GLU 471 N 1.65 1.68 7.41 4.03 0.41 -0.22 -5.01 118.70 128.64 3gcm s GLU 471 Ca -0.00 -0.62 0.00 0.00 -0.41 0.00 0.00 54.97 53.93 3gcm s GLU 471 Cb -0.13 -2.14 0.00 0.00 -1.78 0.00 0.00 34.13 30.08 3gcm s GLU 471 CO -0.03 -0.42 0.00 0.41 -0.49 0.00 0.00 175.26 174.73 3gcm n GLY 472 N 4.81 3.34 0.04 -1.39 0.00 -1.26 -1.52 105.19 109.21 3gcm n GLY 472 Ca -0.13 0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.16 3gcm n GLY 472 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gcm n ASP 473 N 9.82 0.53 -4.73 1.61 8.00 -1.26 -4.93 116.55 125.59 3gcm n ASP 473 Ca 0.00 -0.09 -0.41 0.00 0.71 0.00 0.00 54.79 55.00 3gcm n ASP 473 Cb 0.00 1.02 -0.04 0.00 -0.02 0.00 0.00 41.12 42.08 3gcm n ASP 473 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3gcm s ASN 474 N -4.32 7.22 0.00 -2.24 0.02 -0.58 -5.05 114.94 110.00 3gcm s ASN 474 Ca 0.00 2.07 -0.21 0.00 -1.02 0.00 0.00 52.86 53.70 3gcm s ASN 474 Cb 0.13 -2.60 0.04 0.00 0.02 0.00 0.00 41.25 38.85 3gcm s ASN 474 CO 0.83 -0.28 0.46 -0.72 0.02 0.00 0.00 177.10 177.41 3gcm s TYR 475 N 0.08 -0.36 -0.07 2.20 1.13 -1.26 -1.05 117.35 118.02 3gcm s TYR 475 Ca 0.51 0.49 0.00 0.00 -1.41 0.00 0.00 57.07 56.67 3gcm s TYR 475 Cb -0.29 0.24 0.02 0.00 -1.10 0.00 0.00 41.96 40.83 3gcm s TYR 475 CO 0.34 -0.53 -0.05 0.08 -2.51 0.00 0.00 175.55 172.87 3gcm s VAL 476 N -1.78 0.72 -0.17 -3.49 1.01 -0.62 -5.00 120.40 111.06 3gcm s VAL 476 Ca -0.09 -0.16 -0.21 0.00 0.00 0.00 0.00 61.98 61.52 3gcm s VAL 476 Cb -0.02 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 3gcm s VAL 476 CO 0.03 0.29 0.65 -0.69 0.00 0.00 0.00 175.10 175.39 3gcm s VAL 477 N 1.38 5.02 -0.15 2.92 1.01 -1.26 -2.30 120.40 127.02 3gcm s VAL 477 Ca -0.03 1.26 -0.08 0.00 0.00 0.00 0.00 61.98 63.13 3gcm s VAL 477 Cb -0.13 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 3gcm s VAL 477 CO -0.03 0.13 0.13 -0.76 0.00 0.00 0.00 175.10 174.57 3gcm s LEU 478 N 1.72 4.30 -0.10 3.92 1.02 -0.30 -4.71 118.68 124.51 3gcm s LEU 478 Ca 0.31 0.37 -0.12 0.00 0.02 0.00 0.00 54.13 54.71 3gcm s LEU 478 Cb -0.16 -2.07 -0.05 0.00 0.02 0.00 0.00 46.19 43.93 3gcm s LEU 478 CO 0.12 0.32 0.27 -0.44 0.02 0.00 0.00 176.35 176.63 3gcm s SER 479 N -0.48 6.51 -0.57 2.29 0.01 -0.02 -0.94 113.70 120.51 3gcm s SER 479 Ca 0.12 0.61 -0.19 0.00 1.31 0.00 0.00 55.95 57.80 3gcm s SER 479 Cb -0.12 -2.16 0.03 0.00 0.21 0.00 0.00 66.02 63.98 3gcm s SER 479 CO 0.02 0.27 0.64 -0.67 0.41 0.00 0.00 173.24 173.91 3gcm n ASP 480 N 2.55 -6.34 -4.80 2.44 2.03 -0.94 -4.68 116.55 106.80 3gcm n ASP 480 Ca -0.15 -0.13 -0.35 0.00 0.52 0.00 0.00 54.79 54.67 3gcm n ASP 480 Cb 0.53 -3.17 -0.06 0.00 -0.72 0.00 0.00 41.12 37.70 3gcm n ASP 480 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 3gcm s ILE 481 N -2.31 4.18 0.80 5.18 -4.36 -1.17 -4.84 121.20 118.67 3gcm s ILE 481 Ca 0.21 1.54 -0.12 0.00 -0.26 0.00 0.00 60.65 62.03 3gcm s ILE 481 Cb -0.03 -3.74 0.08 0.00 1.25 0.00 0.00 42.46 40.01 3gcm s ILE 481 CO 0.84 -0.11 1.17 -0.76 0.24 0.00 0.00 174.94 176.31 3gcm s LEU 482 N -2.75 2.52 0.23 0.37 1.43 -1.26 -4.12 118.68 115.10 3gcm s LEU 482 Ca 0.58 0.83 -0.07 0.00 -1.03 0.00 0.00 54.13 54.44 3gcm s LEU 482 Cb -0.15 -3.35 0.33 0.00 0.03 0.00 0.00 46.19 43.06 3gcm s LEU 482 CO 0.19 -1.88 1.79 1.23 0.23 0.00 0.00 176.35 177.92 3gcm h GLY 483 N -1.04 1.11 1.03 -3.19 0.00 -1.85 -2.12 103.07 97.01 3gcm h GLY 483 Ca -0.46 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 46.58 3gcm h GLY 483 CO 0.65 0.10 0.40 -0.55 0.00 0.00 0.00 176.54 177.15 3gcm h ASP 484 N 0.68 1.08 1.17 0.19 3.32 -1.94 -1.77 116.42 119.15 3gcm h ASP 484 Ca 0.35 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 3gcm h ASP 484 Cb 0.33 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 3gcm h ASP 484 CO -0.24 0.91 -0.13 -0.33 -1.72 0.00 0.00 179.24 177.72 3gcm h GLU 485 N 1.17 0.00 0.08 3.56 5.08 -1.83 0.15 114.58 122.80 3gcm h GLU 485 Ca 0.28 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.43 3gcm h GLU 485 Cb 0.11 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.39 3gcm h GLU 485 CO -0.04 0.13 -0.87 0.22 -1.00 0.00 0.00 179.01 177.45 3gcm h ASP 486 N 0.00 0.63 0.87 1.42 3.58 -1.12 -2.28 116.42 119.52 3gcm h ASP 486 Ca -0.00 -0.84 -0.19 0.00 0.42 0.00 0.00 57.03 56.41 3gcm h ASP 486 Cb 0.75 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.58 3gcm h ASP 486 CO 0.02 1.40 -0.92 0.45 -2.88 0.00 0.00 179.24 177.31 3gcm h HIS 487 N -0.06 0.05 0.00 0.28 3.86 -1.09 -3.28 115.15 114.91 3gcm h HIS 487 Ca -0.13 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.05 3gcm h HIS 487 Cb 1.61 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.08 3gcm h HIS 487 CO 0.15 0.93 -0.97 1.28 0.86 0.00 0.00 177.93 180.18 3gcm n LEU 488 N -3.48 0.87 0.00 2.43 4.77 0.02 -4.98 117.00 116.63 3gcm n LEU 488 Ca -0.01 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 3gcm n LEU 488 Cb 0.86 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.95 3gcm n LEU 488 CO 0.46 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 3gcm n GLY 489 N 1.45 -0.18 0.03 -0.72 0.00 -0.86 -4.88 105.19 100.04 3gcm n GLY 489 Ca 0.03 -1.80 0.05 0.00 0.00 0.00 0.00 46.02 44.31 3gcm n GLY 489 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gcm n ASP 490 N -2.46 0.63 -3.46 1.61 8.00 0.11 -4.96 116.55 116.03 3gcm n ASP 490 Ca 0.00 -0.82 -0.12 0.00 0.71 0.00 0.00 54.79 54.57 3gcm n ASP 490 Cb 0.00 0.94 -0.02 0.00 -0.02 0.00 0.00 41.12 42.01 3gcm n ASP 490 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gcm s MET 491 N -2.01 1.26 -0.20 -1.24 0.23 -1.26 -1.09 119.30 114.98 3gcm s MET 491 Ca 0.05 -0.52 0.01 0.00 -1.03 0.00 0.00 55.69 54.21 3gcm s MET 491 Cb 0.09 0.57 0.04 0.00 -1.53 0.00 0.00 34.83 34.00 3gcm s MET 491 CO 0.45 -0.55 -0.12 0.34 -2.03 0.00 0.00 175.02 173.11 3gcm s ASP 492 N -2.76 3.51 -0.36 -1.18 -1.08 -0.64 -4.30 116.67 109.86 3gcm s ASP 492 Ca 0.02 -0.93 0.03 0.00 -0.52 0.00 0.00 52.55 51.14 3gcm s ASP 492 Cb -0.01 -1.32 0.11 0.00 -1.46 0.00 0.00 42.92 40.24 3gcm s ASP 492 CO -0.12 -0.13 0.10 0.12 0.52 0.00 0.00 175.17 175.65 3gcm s PHE 493 N 1.33 3.08 -0.19 -5.34 5.36 -0.25 -1.11 117.98 120.87 3gcm s PHE 493 Ca -0.01 -2.68 -0.07 0.00 -0.96 0.00 0.00 56.93 53.20 3gcm s PHE 493 Cb -0.16 -2.55 -0.04 0.00 -0.34 0.00 0.00 43.02 39.92 3gcm s PHE 493 CO -0.08 -0.90 0.06 0.15 -1.46 0.00 0.00 175.22 172.99 3gcm s LYS 494 N 0.91 3.95 -0.07 10.12 1.02 0.69 0.93 119.74 137.28 3gcm s LYS 494 Ca 0.12 -0.36 0.02 0.00 0.02 0.00 0.00 55.97 55.76 3gcm s LYS 494 Cb -0.20 -3.21 0.02 0.00 -0.52 0.00 0.00 37.83 33.92 3gcm s LYS 494 CO -0.11 0.25 -0.10 0.08 -0.92 0.00 0.00 175.35 174.55 3gcm s VAL 495 N 0.44 1.00 0.08 3.17 1.01 -0.82 -1.03 120.40 124.25 3gcm s VAL 495 Ca 0.03 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 61.70 3gcm s VAL 495 Cb -0.13 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 3gcm s VAL 495 CO 0.01 0.33 -0.19 0.00 0.00 0.00 0.00 175.10 175.25 3gcm s ALA 496 N 0.92 1.62 0.00 5.51 0.00 -0.44 -2.13 121.76 127.24 3gcm s ALA 496 Ca -0.10 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 50.73 3gcm s ALA 496 Cb -0.15 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.74 3gcm s ALA 496 CO 0.01 0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.50 3gcm n GLY 497 N 1.32 -0.04 0.00 0.00 0.00 0.40 0.11 105.19 106.99 3gcm n GLY 497 Ca -0.19 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.72 3gcm n GLY 497 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gcm n SER 498 N 0.00 0.00 0.24 1.61 3.41 -0.57 -1.81 113.62 116.50 3gcm n SER 498 Ca 0.00 -0.51 0.11 0.00 -0.26 0.00 0.00 58.87 58.21 3gcm n SER 498 Cb 0.00 0.00 0.58 0.00 -0.26 0.00 0.00 64.21 64.53 3gcm n SER 498 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3gcm h ARG 499 N 0.00 0.00 -0.01 4.33 3.08 -1.95 -3.30 114.38 116.53 3gcm h ARG 499 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3gcm h ARG 499 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3gcm h ARG 499 CO 0.00 0.18 -0.30 -0.25 -1.07 0.00 0.00 179.97 178.54 3gcm n ASP 500 N -3.50 1.52 0.00 7.04 8.00 -1.26 -5.07 116.55 123.28 3gcm n ASP 500 Ca -0.01 -1.26 0.00 0.00 0.71 0.00 0.00 54.79 54.23 3gcm n ASP 500 Cb 0.35 0.47 0.00 0.00 -0.02 0.00 0.00 41.12 41.91 3gcm n ASP 500 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gcm n GLY 501 N 1.08 -0.19 3.67 0.44 0.00 -1.25 -4.81 105.19 104.14 3gcm n GLY 501 Ca 0.06 -1.00 -0.37 0.00 0.00 0.00 0.00 46.02 44.70 3gcm n GLY 501 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gcm s ILE 502 N -2.00 5.26 -0.08 -0.61 1.01 -0.10 -1.51 121.20 123.17 3gcm s ILE 502 Ca 0.00 0.53 0.09 0.00 0.00 0.00 0.00 60.65 61.27 3gcm s ILE 502 Cb 0.00 -3.65 -0.24 0.00 0.01 0.00 0.00 42.46 38.59 3gcm s ILE 502 CO 0.00 0.30 0.50 -1.54 0.00 0.00 0.00 174.94 174.20 3gcm n SER 503 N 4.30 1.04 -3.75 3.58 3.41 0.12 -2.56 113.62 119.76 3gcm n SER 503 Ca -0.11 0.31 -0.13 0.00 -0.26 0.00 0.00 58.87 58.68 3gcm n SER 503 Cb 0.51 -0.10 -0.11 0.00 -0.26 0.00 0.00 64.21 64.26 3gcm n SER 503 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gcm s ALA 504 N -2.57 -0.87 -0.06 7.33 0.00 -0.99 -0.03 121.76 124.56 3gcm s ALA 504 Ca -0.10 1.00 0.00 0.00 0.00 0.00 0.00 51.96 52.86 3gcm s ALA 504 Cb 0.07 -0.58 0.02 0.00 0.00 0.00 0.00 23.12 22.64 3gcm s ALA 504 CO 0.81 -0.17 -0.04 -1.17 0.00 0.00 0.00 175.76 175.19 3gcm s LEU 505 N 0.23 1.06 -0.04 0.00 2.96 -1.21 -1.33 118.68 120.35 3gcm s LEU 505 Ca -0.00 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.77 3gcm s LEU 505 Cb -0.03 -0.52 0.02 0.00 0.50 0.00 0.00 46.19 46.16 3gcm s LEU 505 CO 0.00 -0.11 -0.06 -1.58 -1.32 0.00 0.00 176.35 173.29 3gcm s GLN 506 N 1.39 0.92 -0.04 1.98 0.74 -0.20 -2.17 119.66 122.27 3gcm s GLN 506 Ca -0.03 -0.15 0.05 0.00 0.05 0.00 0.00 55.36 55.28 3gcm s GLN 506 Cb -0.13 -0.88 -0.01 0.00 1.10 0.00 0.00 33.01 33.09 3gcm s GLN 506 CO -0.03 -0.05 -0.21 -1.64 -0.55 0.00 0.00 175.29 172.82 3gcm s MET 507 N 0.79 2.07 -0.36 1.67 -1.94 -0.22 -0.23 119.30 121.08 3gcm s MET 507 Ca -0.11 -0.75 0.00 0.00 -1.71 0.00 0.00 55.69 53.12 3gcm s MET 507 Cb -0.14 -1.80 0.12 0.00 2.01 0.00 0.00 34.83 35.02 3gcm s MET 507 CO 0.01 0.33 0.16 -0.51 -0.01 0.00 0.00 175.02 175.00 3gcm s ASP 508 N -0.12 3.70 -0.20 3.03 1.01 -0.27 -2.18 116.67 121.65 3gcm s ASP 508 Ca -0.02 -2.03 -0.11 0.00 0.71 0.00 0.00 52.55 51.10 3gcm s ASP 508 Cb -0.12 -0.81 -0.05 0.00 1.01 0.00 0.00 42.92 42.95 3gcm s ASP 508 CO 0.02 -0.35 0.18 -0.63 0.21 0.00 0.00 175.17 174.60 3gcm s ILE 509 N 1.15 5.37 -2.63 0.77 1.01 -0.53 -1.61 121.20 124.72 3gcm s ILE 509 Ca 0.14 0.28 0.25 0.00 0.00 0.00 0.00 60.65 61.32 3gcm s ILE 509 Cb -0.21 -3.52 0.27 0.00 0.01 0.00 0.00 42.46 39.02 3gcm s ILE 509 CO -0.13 0.40 1.40 0.29 0.00 0.00 0.00 174.94 176.90 3gcm n LYS 510 N 3.76 1.87 -4.38 2.79 5.02 -0.25 -4.86 118.16 122.11 3gcm n LYS 510 Ca -0.15 -1.41 -0.21 0.00 -2.02 0.00 0.00 58.31 54.52 3gcm n LYS 510 Cb 0.52 -1.47 -0.10 0.00 -0.02 0.00 0.00 35.03 33.96 3gcm n LYS 510 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3gcm s ILE 511 N -2.10 1.96 0.48 -0.18 -4.36 -1.25 -4.91 121.20 110.83 3gcm s ILE 511 Ca 0.29 -2.19 -0.09 0.00 -0.26 0.00 0.00 60.65 58.41 3gcm s ILE 511 Cb 0.20 -2.06 -0.05 0.00 1.25 0.00 0.00 42.46 41.80 3gcm s ILE 511 CO 0.36 -0.47 0.84 -1.61 0.24 0.00 0.00 174.94 174.30 3gcm s GLU 512 N -3.38 3.68 0.00 0.37 2.02 -1.26 -4.53 118.70 115.60 3gcm s GLU 512 Ca 0.23 0.46 0.00 0.00 0.02 0.00 0.00 54.97 55.68 3gcm s GLU 512 Cb -0.03 -2.31 0.00 0.00 0.10 0.00 0.00 34.13 31.88 3gcm s GLU 512 CO 0.09 -0.20 0.00 0.41 0.02 0.00 0.00 175.26 175.58 3gcm n GLY 513 N -1.90 0.72 3.78 -1.39 0.00 -1.26 -5.06 105.19 100.08 3gcm n GLY 513 Ca 0.03 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 3gcm n GLY 513 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3gcm s ILE 514 N -2.00 3.53 0.20 -0.61 2.07 -1.26 -5.05 121.20 118.08 3gcm s ILE 514 Ca 0.00 1.05 0.11 0.00 -1.41 0.00 0.00 60.65 60.40 3gcm s ILE 514 Cb 0.00 -3.48 -0.04 0.00 0.13 0.00 0.00 42.46 39.06 3gcm s ILE 514 CO 0.00 -0.11 -0.23 -0.89 -1.91 0.00 0.00 174.94 171.80 3gcm s THR 515 N -1.76 2.33 0.23 4.00 2.01 -1.26 -4.61 115.64 116.58 3gcm s THR 515 Ca 0.65 -2.06 -0.07 0.00 0.31 0.00 0.00 61.69 60.52 3gcm s THR 515 Cb -0.22 -2.12 0.18 0.00 0.01 0.00 0.00 72.50 70.35 3gcm s THR 515 CO 0.26 -0.15 1.85 0.50 -0.69 0.00 0.00 174.62 176.39 3gcm h LYS 516 N 3.13 0.89 -0.57 4.92 3.64 -1.99 -1.77 116.57 124.82 3gcm h LYS 516 Ca -0.46 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 58.88 3gcm h LYS 516 Cb 1.21 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 3gcm h LYS 516 CO 0.49 0.59 0.37 1.49 -2.27 0.00 0.00 179.45 180.12 3gcm h GLU 517 N 0.92 0.73 -0.37 1.90 4.81 -1.99 -2.38 114.58 118.19 3gcm h GLU 517 Ca 0.33 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 3gcm h GLU 517 Cb 0.11 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 3gcm h GLU 517 CO -0.15 0.48 0.17 0.82 -0.73 0.00 0.00 179.01 179.60 3gcm h ILE 518 N 0.75 1.18 0.00 2.32 2.04 -1.88 -1.02 117.51 120.89 3gcm h ILE 518 Ca 0.21 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 3gcm h ILE 518 Cb -0.06 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 3gcm h ILE 518 CO -0.06 0.19 -0.03 0.24 0.00 0.00 0.00 178.15 178.50 3gcm h MET 519 N 0.46 0.00 0.11 2.37 2.86 -1.21 -1.19 114.93 118.34 3gcm h MET 519 Ca 0.13 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.46 3gcm h MET 519 Cb 0.14 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 3gcm h MET 519 CO -0.01 0.03 -1.63 0.37 1.06 0.00 0.00 176.91 176.72 3gcm h GLN 520 N 0.00 0.23 -0.72 1.72 4.15 -0.89 -2.36 115.11 117.25 3gcm h GLN 520 Ca -0.00 -0.39 0.11 0.00 0.77 0.00 0.00 58.65 59.14 3gcm h GLN 520 Cb 0.27 0.15 -0.08 0.00 0.21 0.00 0.00 27.48 28.02 3gcm h GLN 520 CO 0.00 1.19 0.33 0.28 -1.93 0.00 0.00 178.83 178.70 3gcm h VAL 521 N -0.24 0.78 -0.46 2.39 2.07 -1.07 -1.10 116.25 118.62 3gcm h VAL 521 Ca -0.36 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 3gcm h VAL 521 Cb 1.82 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 3gcm h VAL 521 CO 0.04 0.10 0.25 0.00 0.02 0.00 0.00 177.57 177.98 3gcm h ALA 522 N 1.46 0.59 -0.57 1.67 0.00 -1.29 -1.30 119.26 119.82 3gcm h ALA 522 Ca 0.37 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 3gcm h ALA 522 Cb 0.45 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3gcm h ALA 522 CO -0.31 0.11 -0.05 -0.07 0.00 0.00 0.00 179.25 178.93 3gcm h LEU 523 N 0.60 1.03 -0.25 0.00 3.38 -1.08 -0.26 115.31 118.74 3gcm h LEU 523 Ca 0.16 -0.33 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 3gcm h LEU 523 Cb 0.05 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3gcm h LEU 523 CO -0.03 1.12 -0.18 -1.13 0.09 0.00 0.00 178.44 178.31 3gcm h ASN 524 N 0.93 0.58 0.36 -0.43 -1.24 -1.18 -2.29 115.58 112.32 3gcm h ASN 524 Ca 0.16 -0.45 -0.06 0.00 0.71 0.00 0.00 56.30 56.66 3gcm h ASN 524 Cb 0.62 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.50 3gcm h ASN 524 CO 0.04 0.91 -0.30 -0.61 -1.29 0.00 0.00 177.43 176.17 3gcm h GLN 525 N 0.27 0.00 -0.18 6.67 4.15 -1.20 -2.61 115.11 122.22 3gcm h GLN 525 Ca 0.05 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.30 3gcm h GLN 525 Cb 0.72 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.40 3gcm h GLN 525 CO 0.05 0.30 -0.57 0.00 -1.93 0.00 0.00 178.83 176.68 3gcm h ALA 526 N 1.70 0.68 -0.37 3.38 0.00 -0.96 -3.03 119.26 120.66 3gcm h ALA 526 Ca -0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 3gcm h ALA 526 Cb 0.57 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3gcm h ALA 526 CO 0.04 0.69 0.18 -0.22 0.00 0.00 0.00 179.25 179.94 3gcm h LYS 527 N 0.42 0.52 -0.58 0.00 3.64 -1.02 -2.20 116.57 117.35 3gcm h LYS 527 Ca 0.00 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 3gcm h LYS 527 Cb 1.11 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.81 3gcm h LYS 527 CO 0.11 0.46 0.24 0.78 -2.27 0.00 0.00 179.45 178.77 3gcm h GLY 528 N 0.46 0.90 0.94 5.01 0.00 -1.59 -2.40 103.07 106.38 3gcm h GLY 528 Ca 0.13 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 3gcm h GLY 528 CO -0.02 0.43 0.11 0.00 0.00 0.00 0.00 176.54 177.06 3gcm h ALA 529 N 1.43 0.54 0.00 3.60 0.00 -1.35 -2.55 119.26 120.93 3gcm h ALA 529 Ca 0.20 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 3gcm h ALA 529 Cb 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3gcm h ALA 529 CO -0.02 0.21 -0.56 0.07 0.00 0.00 0.00 179.25 178.95 3gcm h ARG 530 N 0.52 0.00 -0.21 0.00 0.11 -1.30 -2.42 114.38 111.08 3gcm h ARG 530 Ca 0.13 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 60.10 3gcm h ARG 530 Cb 0.30 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.37 3gcm h ARG 530 CO 0.00 0.56 -0.32 -0.07 0.10 0.00 0.00 179.97 180.24 3gcm h LEU 531 N 0.00 0.44 -0.30 0.08 3.38 -1.39 0.41 115.31 117.93 3gcm h LEU 531 Ca -0.01 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 3gcm h LEU 531 Cb 1.27 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 3gcm h LEU 531 CO 0.07 0.74 -0.22 -0.74 0.09 0.00 0.00 178.44 178.38 3gcm h HIS 532 N 0.37 0.79 -0.53 1.13 2.76 -1.34 -2.42 115.15 115.91 3gcm h HIS 532 Ca 0.05 -0.22 -0.08 0.00 -2.20 0.00 0.00 60.37 57.92 3gcm h HIS 532 Cb 0.75 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.51 3gcm h HIS 532 CO 0.02 0.94 0.02 0.82 -1.30 0.00 0.00 177.93 178.43 3gcm h ILE 533 N 0.42 1.26 -0.62 6.26 2.04 -1.28 -3.01 117.51 122.57 3gcm h ILE 533 Ca 0.06 -1.07 -0.04 0.00 1.00 0.00 0.00 64.86 64.81 3gcm h ILE 533 Cb 0.77 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 3gcm h ILE 533 CO 0.06 0.38 0.21 -0.07 0.00 0.00 0.00 178.15 178.73 3gcm h LEU 534 N 0.80 0.86 -1.11 1.44 3.38 -0.94 -1.87 115.31 117.87 3gcm h LEU 534 Ca 0.15 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3gcm h LEU 534 Cb 0.50 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 3gcm h LEU 534 CO 0.02 0.79 0.53 1.23 0.09 0.00 0.00 178.44 181.11 3gcm h GLY 535 N 1.02 1.21 1.23 0.83 0.00 -1.31 0.17 103.07 106.22 3gcm h GLY 535 Ca 0.21 -0.48 -0.21 0.00 0.00 0.00 0.00 47.33 46.84 3gcm h GLY 535 CO -0.01 0.47 -0.71 -2.08 0.00 0.00 0.00 176.54 174.21 3gcm h VAL 536 N 1.16 1.29 -0.45 4.60 2.07 -1.40 -3.05 116.25 120.47 3gcm h VAL 536 Ca 0.31 -1.93 -0.05 0.00 0.82 0.00 0.00 66.70 65.85 3gcm h VAL 536 Cb -0.08 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 3gcm h VAL 536 CO -0.06 0.61 0.08 0.24 0.02 0.00 0.00 177.57 178.46 3gcm h MET 537 N 0.54 0.69 -0.51 1.57 2.07 -0.88 -2.84 114.93 115.58 3gcm h MET 537 Ca -0.03 -0.14 -0.06 0.00 -2.07 0.00 0.00 59.70 57.39 3gcm h MET 537 Cb 1.33 -0.10 -0.02 0.00 -1.87 0.00 0.00 31.60 30.93 3gcm h MET 537 CO 0.15 0.65 0.05 0.93 1.07 0.00 0.00 176.91 179.76 3gcm h GLU 538 N 0.66 0.81 -0.96 1.72 5.08 -0.67 -2.23 114.58 119.00 3gcm h GLU 538 Ca 0.15 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3gcm h GLU 538 Cb 0.30 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 3gcm h GLU 538 CO 0.00 0.79 0.64 1.96 -1.00 0.00 0.00 179.01 181.39 3gcm h GLN 539 N 0.77 1.26 0.17 2.33 4.20 -1.39 -3.22 115.11 119.23 3gcm h GLN 539 Ca 0.16 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 3gcm h GLN 539 Cb 0.39 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 27.89 3gcm h GLN 539 CO 0.01 0.83 -0.08 0.00 -0.67 0.00 0.00 178.83 178.92 3gcm h ALA 540 N 1.36 -0.23 -2.97 3.87 0.00 -1.50 -3.47 119.26 116.31 3gcm h ALA 540 Ca 0.35 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 3gcm h ALA 540 Cb -0.14 0.09 -0.28 0.00 0.00 0.00 0.00 17.79 17.47 3gcm h ALA 540 CO -0.08 -0.29 -0.42 -1.50 0.00 0.00 0.00 179.25 176.96 3gcm s ILE 541 N -3.18 -0.02 0.00 0.00 2.07 -0.85 -5.06 121.20 114.16 3gcm s ILE 541 Ca -0.11 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.21 3gcm s ILE 541 Cb 0.00 -0.43 0.00 0.00 0.13 0.00 0.00 42.46 42.17 3gcm s ILE 541 CO 0.41 0.04 0.27 -0.46 -1.91 0.00 0.00 174.94 173.28 3gcm n ASN 542 N 3.78 0.54 -3.48 4.50 0.23 -1.25 -4.14 115.26 115.44 3gcm n ASN 542 Ca -0.21 -0.79 -0.11 0.00 -0.53 0.00 0.00 54.58 52.94 3gcm n ASN 542 Cb 0.55 0.32 -0.02 0.00 -2.08 0.00 0.00 39.78 38.55 3gcm n ASN 542 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3gcm s ALA 543 N -0.32 -1.50 -2.00 -2.53 0.00 -1.26 -5.00 121.76 109.16 3gcm s ALA 543 Ca 0.00 0.36 0.02 0.00 0.00 0.00 0.00 51.96 52.34 3gcm s ALA 543 Cb 0.00 0.87 0.11 0.00 0.00 0.00 0.00 23.12 24.10 3gcm s ALA 543 CO 0.00 -0.78 0.60 -2.30 0.00 0.00 0.00 175.76 173.28